* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    222     410
    1     0 S   NP   _N1_     1    28.71353    94.50722   -21.64098
    2     1 S   H    _HN1     2     1.02781    91.92614   -78.20940
    3     1 S   H    _H1_     3     1.02960    90.95534    30.14266
    4     1 S   H    _H2_     4     1.02834    28.38605   156.04118
    5     1 S   CT   _CA1     5     1.50097   139.13494   153.68217
    6     5 S   HC   _HA1     6     1.09574   105.26021    60.34990
    7     5 S   CO3  _C1_     7     1.53757   112.41126   -59.91501
    8     7 S   O2Z  _O11     8     1.26361   115.06886   -44.25887
    9     7 S   O2Z  _O12     9     1.26235   114.91625   134.99017
   10     5 S   CT   _CB1    10     1.53070   107.43886   178.27184
   11    10 S   HC   HB11    11     1.09821   109.35821   -51.03134
   12    10 S   HC   HB12    12     1.09826   110.38415    65.50827
   13    10 S   CT   _CG1    13     1.53004   112.68537  -172.18445
   14    13 S   HC   HG11    14     1.09612   110.35589   -62.41728
   15    13 S   HC   HG12    15     1.09635   110.11673    56.84662
   16    13 S   C    _CD1    16     1.51783   112.22510   177.18506
   17    16 S   O    _OE1    17     1.22723   123.24654    -6.74730
   18    16 S   N    _N2_    18     1.38606   111.62789   173.46280
   19    18 S   H    _HN2    19     1.01584   119.01844     1.74147
   20    18 S   CT1  _CA2    20     1.46253   123.37206  -177.35299
   21    20 S   HC   _HA2    21     1.09728   109.43427   -12.69552
   22    20 S   C    _C2_    22     1.53391   108.37246  -128.53000
   23    22 S   O    _O2_    23     1.23013   122.22844  -145.69721
   24    20 S   CT   _CB2    32     1.53528   111.14400   109.35843
   25    24 S   HC   HB21    33     1.09336   109.17526    56.57223
   26    24 S   HC   HB22    34     1.09505   110.36204   174.90207
   27    22 S   N    _N3_    24     1.38502   113.34732    41.61662
   28    27 S   H    _HN3    25     1.01533   118.89303    -0.70748
   29    24 S   S    _SG2    35     1.82942   111.31051   -65.89402
   30    27 S   CT   _CA3    26     1.45457   123.54002   175.17895
   31    30 S   HC   HA31    27     1.09516   109.35230    22.02436
   32    30 S   HC   HA32    28     1.09499   107.09252   139.04305
   33    29 S   CT   _C5_    36     1.86928   102.33389   155.39988
   34    30 S   CO3  _C3_    29     1.52918   113.03655  -101.53566
   35    34 S   O2Z  _O31    30     1.26407   115.37282   -45.18407
   36    34 S   O2Z  _O32    31     1.26350   115.00402   135.73497
   37    33 S   CT   _C7_    37     1.55745   109.12174   -72.37071
   38    37 S   HC   _H3_    38     1.09879   109.75127    57.27223
   39    33 S   CT   _C4_    69     1.54401   104.19227   168.56043
   40    39 S   HC   _H4_    70     1.09688   112.04215   -57.89460
   41    39 S   HC   _H5_    71     1.09622   112.22193    63.12543
   42    39 S   HC   _H6_    72     1.09503   111.27341  -176.87187
   43    33 S   CT   _C6_    73     1.54495   111.17410    50.36153
   44    43 S   HC   _H7_    74     1.09553   110.38283   175.91141
   45    43 S   HC   _H8_    75     1.09470   111.90035   -64.87564
   46    37 S   CT   _C8_    39     1.54391   114.94343   178.25336
   47    46 S   HC   _H10    40     1.09297   113.37431    30.80855
   48    46 S   HC   _H11    41     1.09390   111.31881   -93.43188
   49    43 S   OH   _O33    76     1.42309   111.72097    57.15418
   50    49 S   HO   _H9_    77     0.97243   107.17685  -179.88636
   51    46 S   CA   _C9_    42     1.48161    99.52678   146.95456
   52    51 S   CA   _C10    43     1.38153   109.32124   -14.92105
   53    52 S   CA   _C11    44     1.38201   122.17774  -177.03958
   54    53 S   HA   _H12    45     1.08424   118.82461   179.51141
   55    37 S   OS   _O38    68     1.45798   110.91854   -59.38195
   56    53 S   CA   _C12    46     1.40282   118.44816    -0.43969
   57    56 S   CA   _C13    47     1.42004   119.44947     0.56648
   58    56 S   OS   _O37    63     1.37157   123.44752   179.78971
   59    51 S   CA   _C14    48     1.38367   129.88176   168.54952
   60    58 S   CT   _C22    64     1.42219   117.73705     6.41707
   61    60 S   HC   _H17    65     1.09427   107.72269   177.15848
   62    60 S   HC   _H18    66     1.09405   111.03037    59.55341
   63    60 S   HC   _H19    67     1.09467   111.13813   -65.19873
   64    59 S   OS   _O34    49     1.36882   116.56601    -2.88229
   65    64 S   CA   _C15    50     1.36995   118.64161  -179.80923
   66    65 S   CA   _C16    51     1.39181   123.35420    -0.25101
   67    66 S   CA   _C18    52     1.39955   120.48259   180.00000
   68    67 S   HA   _H13    53     1.08685   121.11536   180.00000
   69    57 S   CO4  _C17    61     1.48330   122.44263   179.60238
   70    69 S   O    _O35    62     1.22271   122.90463     0.53082
   71    67 S   CA   _C19    54     1.39525   119.80931     0.02798
   72    71 S   HA   _H14    55     1.08651   119.91012   180.00000
   73    71 S   CA   _C20    56     1.39423   120.12266     0.02798
   74    73 S   HA   _H15    57     1.08621   119.41712   180.00000
   75    65 S   CA   _C21    58     1.39751   117.44179   179.75134
   76    75 S   OH   _O36    59     1.36886   119.06616    -0.00000
   77    76 S   HO   _H16    60     0.97236   108.76048   180.00000
  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  13   5   4   3
  17   2   1   1  17   8   9   3   2   1   6   3   2   9   5   4
   1   1  10   8   8   4   2  11   9   6   6   3   2   1   1   7
  11   9   8   4   3   1   5   3   4   2   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    55    39    40    41    42    43    44    45    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    51    52    55    39    40    41    42    43    44    45    49    50  
   35    36  
   36  
    0  
   38    46    47    48    51    52    53    59    55    39    40    41    42    43    44    45    49  
   46    47    48    51    52    55    39    43  
   40    41    42    43    44    45    49    46    55  
   41    42    43  
   42    43  
   43  
   44    45    49    50    46    55  
   45    49    50  
   49    50  
   47    48    51    52    53    57    59    64    55  
   48    51    52    59    55  
   51    52    59    55  
   50  
    0  
   52    53    54    56    57    59    64    65    69    55  
   53    54    56    57    59    64    58    55  
   54    56    57    59    69    58    60    55  
   56    57    58    55  
   56    59  
   57    59    64    66    69    70    58    60    61    62    63  
   59    64    65    66    67    69    70    58    60  
   60    61    62    63    59    69  
   64    65    66    75    69    70  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    73    75    76    69  
   66    67    68    71    73    74    75    76    77    69    70  
   67    68    71    72    73    75    76    69    70  
   68    71    72    73    74    75    69    70  
   71    72    73    69  
   70    71    75  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   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   0.167500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   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   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   268.000  1.529
   37    55   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   469.000  1.400
   51    59   469.000  1.400
   52    53   469.000  1.400
   52    55   450.000  1.364
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   469.000  1.400
   56    58   450.000  1.364
   57    59   469.000  1.400
   57    69   310.000  1.470
   59    64   450.000  1.364
   64    65   450.000  1.364
   65    66   469.000  1.400
   65    75   469.000  1.400
   66    67   469.000  1.400
   66    69   310.000  1.470
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   69    70   570.000  1.229
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   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    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  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    37    55    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    49    50.00000  109.50000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.17500
   37    55    52    75.00000  111.00000
   46    37    38    37.50000  110.70000
   46    51    52    70.00000  120.00000
   46    51    59    70.00000  120.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    63.00000  120.00000
   51    52    55    70.00000  120.00000
   51    59    57    63.00000  120.00000
   51    59    64    70.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    56    63.00000  120.00000
   53    56    57    63.00000  120.00000
   53    56    58    70.00000  120.00000
   56    53    54    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    57    69    60.00000  119.52600
   56    58    60    75.00000  111.00000
   57    59    64    70.00000  120.00000
   57    69    66    65.00000  116.00000
   57    69    70    75.00000  123.78400
   59    51    52    63.00000  120.00000
   59    64    65    85.00000  114.70000
   64    65    66    70.00000  120.00000
   64    65    75    70.00000  120.00000
   65    66    67    63.00000  120.00000
   65    66    69    60.00000  119.52600
   65    75    73    63.00000  120.00000
   65    75    76    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    71    63.00000  120.00000
   66    69    70    75.00000  123.78400
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    65    66    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   69    57    59    60.00000  119.52600
   69    66    67    60.00000  119.52600
   58    56    57    70.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   55    37    38    35.00000  109.50000
   55    37    46    50.00000  109.50000
   55    52    53    70.00000  120.00000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  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    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    55   0.56750  1.0 1.0
   29    33    37    55  -0.07550 -1.0 2.0
   29    33    37    55   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    49   0.56750  1.0 1.0
   29    33    43    49  -0.07550 -1.0 2.0
   29    33    43    49   0.20000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51  -0.03700  1.0 1.0
   33    37    46    51   0.37200 -1.0 2.0
   33    37    46    51  -0.47300  1.0 3.0
   33    37    55    52  -0.32850  1.0 1.0
   33    37    55    52  -0.35800 -1.0 2.0
   33    37    55    52   0.33950  1.0 3.0
   33    43    49    50  -0.11600  1.0 1.0
   33    43    49    50  -0.09450 -1.0 2.0
   33    43    49    50   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    49   0.86500  1.0 1.0
   37    33    43    49  -0.17500 -1.0 2.0
   37    33    43    49   0.20800  1.0 3.0
   37    46   -51    52   0.04150 -1.0 2.0
   37    46    51    59   0.04150 -1.0 2.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.43200  1.0 3.0
   38    37    55    52   0.08050  1.0 3.0
   46    37   -55    52  -0.32850  1.0 1.0
   46    37   -55    52  -0.35800 -1.0 2.0
   46    37   -55    52   0.33950  1.0 3.0
   46    51    52    53   3.62500 -1.0 2.0
   46    51   -52    55   3.62500 -1.0 2.0
   46    51    59    57   3.62500 -1.0 2.0
   46    51    59    64   3.62500 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    59   0.00000  1.0 1.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    59   0.00000  1.0 1.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52    53    56   3.62500 -1.0 2.0
   51    52   -55    37   1.63200 -1.0 2.0
   51    59    64    65   0.47150 -1.0 2.0
   52    51    59    57   3.62500 -1.0 2.0
   52    51    59    64   3.62500 -1.0 2.0
   52    53   -56    57   3.62500 -1.0 2.0
   52    53    56    58   3.62500 -1.0 2.0
   53    52    55    37   1.63200 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    57    69   3.62500 -1.0 2.0
   53    56    58    60   1.63200 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    58   3.62500 -1.0 2.0
   56    57   -59    51   3.62500 -1.0 2.0
   56    57    59    64   3.62500 -1.0 2.0
   56    57    69    66   0.56600 -1.0 2.0
   56    57    69    70   1.05000 -1.0 2.0
   56    58    60    61   0.08050  1.0 3.0
   56    58    60    62   0.08050  1.0 3.0
   56    58    60    63   0.08050  1.0 3.0
   57    56    58    60   1.63200 -1.0 2.0
   57    59    64    65   0.47150 -1.0 2.0
   59    51   -52    53   3.62500 -1.0 2.0
   59    51    52    55   3.62500 -1.0 2.0
   59    57    69    66   0.56600 -1.0 2.0
   59    57    69    70   1.05000 -1.0 2.0
   59    64   -65    66   0.47150 -1.0 2.0
   59    64    65    75   0.47150 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    69   3.62500 -1.0 2.0
   64    65    75    73   3.62500 -1.0 2.0
   64    65    75    76   3.62500 -1.0 2.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    71   3.62500 -1.0 2.0
   65    66   -69    57   0.56600 -1.0 2.0
   65    66    69    70   1.05000 -1.0 2.0
   65    75    76    77   0.84100 -1.0 2.0
   66    65    75    73   3.62500 -1.0 2.0
   66    65    75    76   3.62500 -1.0 2.0
   66    67    71    72   3.62500 -1.0 2.0
   66    67   -71    73   3.62500 -1.0 2.0
   67    66    69    57   0.56600 -1.0 2.0
   67    66    69    70   1.05000 -1.0 2.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71    73    75   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    73   -75    65   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    65   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    65   -66    67   3.62500 -1.0 2.0
   75    65    66    69   3.62500 -1.0 2.0
   69    57    59    51   3.62500 -1.0 2.0
   69    57   -59    64   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    71   3.62500 -1.0 2.0
   58    56    57    59   3.62500 -1.0 2.0
   58    56    57    69   3.62500 -1.0 2.0
   55    37    46    47   0.23400  1.0 3.0
   55    37    46    48   0.23400  1.0 3.0
   55    37   -46    51  -0.64350  1.0 1.0
   55    37   -46    51  -0.04200 -1.0 2.0
   55    37   -46    51   0.19800  1.0 3.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   0.56750  1.0 1.0
   39    33    37    46  -0.07550 -1.0 2.0
   39    33    37    46   0.20000  1.0 3.0
   39    33    37    55   0.62750  1.0 1.0
   39    33    37    55  -0.30950 -1.0 2.0
   39    33    37    55   0.27300  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    49   0.86500  1.0 1.0
   39    33    43    49  -0.17500 -1.0 2.0
   39    33    43    49   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46   0.56750  1.0 1.0
   43    33    37    46  -0.07550 -1.0 2.0
   43    33    37    46   0.20000  1.0 3.0
   43    33    37    55   0.62750  1.0 1.0
   43    33    37    55  -0.30950 -1.0 2.0
   43    33    37    55   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    43    49    50   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   52    59    51    46   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   56    54    53    52   1.10000 -1.0 2.0
   57    58    56    53   4.00000 -1.0 2.0
   59    69    57    56   4.00000 -1.0 2.0
   57    64    59    51   4.00000 -1.0 2.0
   66    75    65    64   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   71    68    67    66   1.10000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    65   4.00000 -1.0 2.0
   57    66    69    70  10.50000 -1.0 2.0
END
