* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    135    218     399
    1     0 S   NP   _N1_     1    27.95221    94.41604   -24.34625
    2     1 S   H    _HN1     2     1.02835    17.48614   118.40687
    3     1 S   H    _H1_     3     1.02777   102.83506  -132.59999
    4     1 S   H    _H2_     4     1.02957    93.56359   -22.87653
    5     1 S   CT   _CA1     5     1.50131   127.13532    96.13829
    6     5 S   HC   _HA1     6     1.09575   105.21019    66.17617
    7     5 S   CO3  _C1_     7     1.53777   112.35724   -54.00698
    8     7 S   O2Z  _O11     8     1.26366   114.99754   -44.01723
    9     7 S   O2Z  _O12     9     1.26234   114.92778   135.05848
   10     5 S   CT   _CB1    10     1.53092   107.41905  -175.92331
   11    10 S   HC   HB11    11     1.09828   109.31070   -50.51088
   12    10 S   HC   HB12    12     1.09816   110.43712    66.03541
   13    10 S   CT   _CG1    13     1.53025   112.68709  -171.57736
   14    13 S   HC   HG11    14     1.09592   110.51015   -64.81586
   15    13 S   HC   HG12    15     1.09658   109.90758    54.39573
   16    13 S   C    _CD1    16     1.51837   112.28240   174.75365
   17    16 S   O    _OE1    17     1.22762   123.29800     1.27395
   18    16 S   N    _N2_    18     1.38560   111.75374  -178.64362
   19    18 S   H    _HN2    19     1.01553   119.14673     3.63141
   20    18 S   CT1  _CA2    20     1.45672   122.74136   178.11280
   21    20 S   HC   _HA2    21     1.09684   109.07286    27.18244
   22    20 S   C    _C2_    22     1.53135   107.30592   -90.62217
   23    22 S   O    _O2_    23     1.22968   122.96113   -22.81390
   24    20 S   CT   _CB2    32     1.53227   112.65272   150.85890
   25    24 S   HC   HB21    33     1.09566   109.57583    60.54757
   26    24 S   HC   HB22    34     1.09502   109.24876   178.79715
   27    22 S   N    _N3_    24     1.38680   112.44305   161.25779
   28    27 S   H    _HN3    25     1.01537   119.73596    -2.62808
   29    24 S   S    _SG2    35     1.82230   113.07084   -60.32684
   30    27 S   CT   _CA3    26     1.45442   122.61802   170.50785
   31    30 S   HC   HA31    27     1.09522   109.14118    33.21508
   32    30 S   HC   HA32    28     1.09474   107.42621   150.50300
   33    29 S   CT   _C17    36     1.85078   100.06851  -163.15357
   34    33 S   HC   _H4_    37     1.09562   107.01729    55.71385
   35    30 S   CO3  _C3_    29     1.53057   112.21393   -89.73942
   36    35 S   O2Z  _O31    30     1.26456   115.25743   -53.01088
   37    35 S   O2Z  _O32    31     1.26301   115.35580   126.95847
   38    33 S   CM   _C12    38     1.52870   110.93460   -63.33038
   39    38 S   CT   _C13    39     1.52106   117.62494   -89.21135
   40    39 S   HC   _H11    40     1.09743   109.68362   130.03176
   41    39 S   HC   _H12    41     1.09896   107.35022  -113.58048
   42    38 S   CM   _C11    53     1.34824   119.32222    94.80556
   43    42 S   HC   _H10    54     1.08624   119.60982    -1.98722
   44    39 S   CT1  _C14    42     1.53539   114.81165     7.64288
   45    44 S   HC   _H3_    43     1.09754   109.41414    75.22947
   46    42 S   CG   _C10    55     1.47948   123.39329   178.71123
   47    46 S   HC   _H9_    56     1.09908   117.14934   -13.05066
   48    44 S   NE   _N5_    44     1.44912   108.87900   -43.90532
   49    48 S   H    _H13    45     1.01701   119.88331  -143.89123
   50    44 S   CO3  _C18    50     1.54029   113.76362  -165.89901
   51    50 S   O2Z  _O38    51     1.26478   116.14372   -12.29512
   52    50 S   O2Z  _O37    52     1.26605   115.30202   169.50427
   53    46 S   NIP  _N4_    57     1.29014   123.28240   166.34061
   54    33 S   CM   _C15    46     1.51436   108.39372   173.65480
   55    53 S   CA   _C6_    58     1.39978   122.85487   178.71488
   56    53 S   CT   _C19    69     1.49770   128.27180    -4.44188
   57    56 S   HC   _H14    70     1.09543   107.50620    76.06037
   58    56 S   HC   _H15    71     1.09404   109.26113   -43.94690
   59    54 S   CMA  _C16    47     1.53571   122.11479   -94.09310
   60    59 S   OM   _O35    48     1.26465   120.70321  -177.37088
   61    59 S   OM   _O36    49     1.26375   121.60882     2.58437
   62    55 S   CA   _C7_    59     1.38842   128.90854   -11.18412
   63    62 S   HA   _H6_    60     1.08405   122.42498     0.39167
   64    62 S   CA   _C8_    61     1.39790   117.57741  -179.11530
   65    64 S   CA   _C9_    62     1.40259   120.99902     0.18131
   66    64 S   OH   _O34    74     1.36906   120.18805  -179.90513
   67    66 S   HO   _H8_    75     0.97209   109.06347     0.31279
   68    65 S   CA   _C4_    63     1.39558   120.78256     0.16193
   69    68 S   HA   _H5_    64     1.08513   121.42466  -179.82641
   70    65 S   OH   _O33    72     1.36826   118.99567  -179.84805
   71    70 S   HO   _H7_    73     0.97220   108.82656   179.95154
   72    55 S   CA   _C5_    65     1.39492   109.55796   170.35865
   73    72 S   CT   _C20    66     1.49186   111.60922    -1.92173
   74    73 S   HC   _H16    67     1.09412   112.45677   129.11054
   75    73 S   HC   _H17    68     1.09538   110.24940  -108.55201
  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
  15   6   2   1   1  14  13   6   5   8   3   8   6   9   3   8
   3   3   1   1  12   3  14   8   5   4   2   1   1   9   4   8
   8   3   1   7   3   2   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    59    60    61    42    43    46  
   38    39    48    54    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    59    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    55    56    44    54  
   46    47    53  
   45    48    49    54    59    50    51    52  
   48    49    54    50    51    52  
   47    53    55    62    72    73    56    57    58  
   53    55    56  
   49    54    59    60    61    50    51    52  
   54    59    50  
   51    52    54  
   52  
    0  
   55    62    63    64    68    72    73    74    75    56    57    58  
   59    60    61  
   62    63    64    65    68    69    72    73    74    75    56    57    58    66  
   57    58    62    68    72    73    74    75  
   58    72    73    74    75  
   72    73    74    75  
   60    61  
   61  
    0  
   63    64    65    68    72    73    70    66    67  
   64    65    72    66  
   65    68    69    72    70    71    66    67  
   68    69    72    73    70    71    66    67  
   67    68    70  
    0  
   69    72    73    74    75    70    71  
   72    73    70  
   71    72  
    0  
   73    74    75  
   74    75  
   75  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.065700   2.2900   2.0360   0.003973653   1.685851020
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.286700   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.005000   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
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    54   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   425.000  1.378
   54    59   465.000  1.376
   59    60   745.000  1.250
   59    61   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    55   340.000  1.432
   53    56   280.000  1.462
   55    62   469.000  1.400
   55    72   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   469.000  1.400
   64    66   450.000  1.364
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   70    71   553.000  0.945
   66    67   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  112.20000
   29    33    54    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    75.00000  116.24600
   33    54    59    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    54    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    54    59    70.00000  124.03900
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  110.12100
   54    48    49    35.00000  114.50000
   54    59    60    65.00000  137.10300
   54    59    61    65.00000  137.10300
   61    59    60    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    55    65.00000  127.86000
   46    53    56    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    55    62    70.00000  116.83300
   53    55    72    70.00000  116.83300
   53    56    73    75.00000  111.57000
   53    56    57    50.00000  106.46400
   53    56    58    50.00000  106.46400
   55    62    63    35.00000  120.00000
   55    62    64    63.00000  120.00000
   55    72    68    63.00000  120.00000
   55    72    73    70.00000  120.00000
   62    64    65    63.00000  120.00000
   62    64    66    70.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    68    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    67    35.00000  113.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   65    70    71    35.00000  113.00000
   68    72    73    70.00000  120.00000
   72    55    62    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    56    70.00000  112.17500
   73    56    57    37.50000  110.70000
   73    56    58    37.50000  110.70000
   75    73    74    33.00000  107.80000
   56    53    55    70.00000  121.00000
   56    73    74    37.50000  110.70000
   56    73    75    37.50000  110.70000
   58    56    57    33.00000  107.80000
   70    65    68    70.00000  120.00000
   66    64    65    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.09700  1.0 1.0
   29    33    54    48   0.15600 -1.0 2.0
   29    33    54    48  -0.50800  1.0 3.0
   29    33    54    59   0.42700  1.0 1.0
   29    33    54    59  -0.70350 -1.0 2.0
   29    33    54    59  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    59    60   7.00000 -1.0 2.0
   33    54    59    61   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48  -0.18050  1.0 3.0
   34    33    54    59   0.00000  1.0 1.0
   38    33    54    48  -1.35150  1.0 1.0
   38    33    54    48   0.13900 -1.0 2.0
   38    33    54    48   0.25250  1.0 3.0
   38    33    54    59  -0.28300  1.0 1.0
   38    33    54    59   0.26700 -1.0 2.0
   38    33    54    59  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    54   0.25450  1.0 1.0
   39    44    48    54  -0.61700 -1.0 2.0
   39    44    48    54  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   1.00000 -1.0 2.0
   44    48    54    59  -0.54700  1.0 1.0
   44    48    54    59   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    54   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    54    59    60   7.00000 -1.0 2.0
   48    54    59    61   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    59   1.00000 -1.0 2.0
   54    33   -38    39   0.09700  1.0 1.0
   54    33   -38    39   0.15600 -1.0 2.0
   54    33   -38    39  -0.50800  1.0 3.0
   54    33    38    42  -0.28300  1.0 1.0
   54    33    38    42   0.26700 -1.0 2.0
   54    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    54  -0.12500  1.0 1.0
   50    44    48    54  -0.12500 -1.0 2.0
   50    44    48    54   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    55   2.00000 -1.0 2.0
   42    46    53    56   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    55    62   1.00000 -1.0 2.0
   46    53    55    72   1.00000 -1.0 2.0
   46    53    56    73   0.00000  1.0 1.0
   46    53    56    57  -0.22200  1.0 3.0
   46    53    56    58  -0.22200  1.0 3.0
   47    46    53    55   2.00000 -1.0 2.0
   47    46    53    56   2.00000 -1.0 2.0
   53    55    62    63   3.62500 -1.0 2.0
   53    55    62    64   3.62500 -1.0 2.0
   53    55    72    68   3.62500 -1.0 2.0
   53    55   -72    73   3.62500 -1.0 2.0
   55    53   -56    73   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    58   0.00000  1.0 1.0
   55    62    64    65   3.62500 -1.0 2.0
   55    62    64    66   3.62500 -1.0 2.0
   55    72    73    74   0.00000  1.0 1.0
   55    72    73    75   0.00000  1.0 1.0
   55    72   -73    56   0.04150 -1.0 2.0
   62    55    72    68   3.62500 -1.0 2.0
   62    55    72    73   3.62500 -1.0 2.0
   62    64   -65    68   3.62500 -1.0 2.0
   62    64    65    70   3.62500 -1.0 2.0
   62    64    66    67   0.84100 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    65    68    69   3.62500 -1.0 2.0
   64    65    68    72   3.62500 -1.0 2.0
   64    65    70    71   0.84100 -1.0 2.0
   65    64    66    67   0.84100 -1.0 2.0
   65    68   -72    55   3.62500 -1.0 2.0
   65    68    72    73   3.62500 -1.0 2.0
   68    65    70    71   0.84100 -1.0 2.0
   68    72    73    74   0.00000  1.0 1.0
   68    72    73    75   0.00000  1.0 1.0
   68    72    73    56   0.04150 -1.0 2.0
   69    68    72    55   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   72    55    62    63   3.62500 -1.0 2.0
   72    55   -62    64   3.62500 -1.0 2.0
   72    73   -56    53   0.56750  1.0 1.0
   72    73   -56    53  -0.07550 -1.0 2.0
   72    73   -56    53   0.20000  1.0 3.0
   72    73    56    57   0.43200  1.0 3.0
   72    73    56    58   0.43200  1.0 3.0
   74    73    56    53   0.15000  1.0 3.0
   74    73    56    57   0.15000  1.0 3.0
   74    73    56    58   0.15000  1.0 3.0
   75    73    56    53   0.15000  1.0 3.0
   75    73    56    57   0.15000  1.0 3.0
   75    73    56    58   0.15000  1.0 3.0
   56    53    55    62   1.00000 -1.0 2.0
   56    53   -55    72   1.00000 -1.0 2.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    72   3.62500 -1.0 2.0
   66    64    65    68   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    59   1.10000 -1.0 2.0
   60    61    59    54   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   55    56    53    46   1.00000 -1.0 2.0
   62    72    55    53   4.00000 -1.0 2.0
   64    63    62    55   1.10000 -1.0 2.0
   65    66    64    62   4.00000 -1.0 2.0
   68    70    65    64   4.00000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   68    73    72    55   4.00000 -1.0 2.0
END
