* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    221     402
    1     0 S   NP   _N1_     1    28.20530    96.62234   -23.02028
    2     1 S   H    _HN1     2     1.02835    37.10170   151.79833
    3     1 S   H    _H1_     3     1.02776   105.02417  -108.26883
    4     1 S   H    _H2_     4     1.02957    73.20855    -3.23834
    5     1 S   CT   _CA1     5     1.50139   138.30110    98.78662
    6     5 S   HC   _HA1     6     1.09575   105.19969    90.18361
    7     5 S   CO3  _C1_     7     1.53771   112.36192   -29.98451
    8     7 S   O2Z  _O11     8     1.26366   114.98563   -43.65211
    9     7 S   O2Z  _O12     9     1.26232   114.92523   135.37794
   10     5 S   CT   _CB1    10     1.53088   107.41674  -151.91733
   11    10 S   HC   HB11    11     1.09829   109.29313   -50.42246
   12    10 S   HC   HB12    12     1.09815   110.44226    66.11990
   13    10 S   CT   _CG1    13     1.53032   112.70115  -171.48475
   14    13 S   HC   HG11    14     1.09591   110.52356   -65.26180
   15    13 S   HC   HG12    15     1.09659   109.88984    53.95440
   16    13 S   C    _CD1    16     1.51848   112.26503   174.30384
   17    16 S   O    _OE1    17     1.22764   123.26671     2.13497
   18    16 S   N    _N2_    18     1.38571   111.76785  -177.79664
   19    18 S   H    _HN2    19     1.01551   119.08123     3.94457
   20    18 S   CT1  _CA2    20     1.45763   122.74706   177.64815
   21    20 S   HC   _HA2    21     1.09735   108.87796    26.39996
   22    20 S   C    _C2_    22     1.52948   107.32833   -90.74951
   23    22 S   O    _O2_    23     1.22946   122.96959   -26.66084
   24    20 S   CT   _CB2    32     1.53120   112.33864   149.78254
   25    24 S   HC   HB21    33     1.09539   110.33296    52.53803
   26    24 S   HC   HB22    34     1.09537   109.93820   171.42998
   27    22 S   N    _N3_    24     1.38652   112.29397   156.42680
   28    27 S   H    _HN3    25     1.01536   119.63277     0.63551
   29    24 S   S    _SG2    35     1.82364   111.37293   -68.49775
   30    27 S   CT   _CA3    26     1.45416   122.87834   174.54576
   31    30 S   HC   HA31    27     1.09538   108.93211    30.69141
   32    30 S   HC   HA32    28     1.09476   107.18831   147.85770
   33    29 S   CT   _C8_    36     1.84136    99.07871  -172.00473
   34    33 S   HC   _H4_    37     1.08971   106.44622    37.05754
   35    30 S   CO3  _C3_    29     1.53082   113.57465   -92.27188
   36    35 S   O2Z  _O31    30     1.26370   115.86277   -30.81301
   37    35 S   O2Z  _O32    31     1.26409   114.65189   150.03160
   38    33 S   CM   _C9_    38     1.52100   109.96720   -83.19617
   39    38 S   CT   _C4_    39     1.51774   113.89046   -75.73238
   40    39 S   HC   _H6_    40     1.09708   109.32981    62.88752
   41    39 S   HC   _H7_    41     1.09746   111.38352   179.58316
   42    38 S   CM   _C10    53     1.34617   126.07807   108.38556
   43    42 S   HC   _H9_    54     1.08611   120.72925  -178.28731
   44    39 S   CT1  _C5_    42     1.53056   109.66836   -59.22798
   45    44 S   HC   _H3_    43     1.09850   108.62719   -69.74328
   46    42 S   CG   _C11    55     1.47621   124.38895    -1.51246
   47    46 S   HC   _H10    56     1.10367   114.34011  -114.28061
   48    44 S   NE   _N4_    44     1.45526   110.76576    48.69226
   49    48 S   H    _H8_    45     1.01851   117.54248   167.88910
   50    44 S   CO3  _C21    50     1.53948   114.47877   171.11571
   51    50 S   O2Z  _O40    51     1.26384   116.37079     1.47803
   52    50 S   O2Z  _O39    52     1.26661   114.96983   179.71196
   53    46 S   NIP  _N5_    57     1.28886   129.49648    65.71688
   54    33 S   CM   _C6_    46     1.51433   109.00818   154.18842
   55    53 S   CM   _C19    58     1.41163   126.25184     2.24210
   56    53 S   CT1  _C12    71     1.49940   124.79101  -170.70999
   57    56 S   HC   _H5_    72     1.09646   108.64952    28.38500
   58    54 S   CMA  _C7_    47     1.53918   121.10733   -84.61218
   59    58 S   OM   _O33    48     1.26411   120.67948   170.06178
   60    58 S   OM   _O34    49     1.26383   121.59907   -10.85155
   61    55 S   CM   _C18    59     1.33894   130.20243    29.35525
   62    61 S   HC   _H14    60     1.08174   124.37734    -1.13815
   63    56 S   CO3  _C20    73     1.53953   107.36342   -89.61817
   64    63 S   O2Z  _O38    74     1.26235   116.22907  -105.09496
   65    63 S   O2Z  _O37    75     1.26541   114.61595    74.58973
   66    61 S   CO4  _C17    61     1.48068   118.94156   177.84369
   67    66 S   O    _O36    62     1.22197   122.11774  -179.27019
   68    66 S   CO4  _C16    63     1.51208   118.54417    -0.79966
   69    68 S   O    _O35    64     1.22150   119.52721   179.65170
   70    68 S   CM   _C15    65     1.47619   118.04157    -2.01713
   71    70 S   HC   _H13    66     1.08227   118.87555  -177.45701
   72    55 S   CM   _C14    67     1.45037   107.92429  -155.45933
   73    72 S   CT   _C13    68     1.49899   108.62396    -0.18557
   74    73 S   HC   _H11    69     1.09768   109.18231    99.85827
   75    73 S   HC   _H12    70     1.09443   112.78066  -139.74459
  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  14   3  14  10   7   2   1   1   8   4   6   2
   1   6   3   5   3   5   2   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    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    58    59    60    42    43    46  
   38    39    48    54    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    58    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    58    50    51    52  
   48    49    54    50    51    52  
   47    53    55    61    72    73    56    57    63  
   53    55    56  
   49    54    58    59    60    50    51    52  
   54    58    50  
   51    52    54  
   52  
    0  
   55    61    62    66    70    72    73    74    75    56    57    63    64    65  
   58    59    60  
   61    62    66    67    68    70    71    72    73    74    75    56    57    63  
   57    63    64    65    61    70    72    73    74    75  
   63    64    65    72    73    74    75  
   59    60  
   60  
    0  
   62    66    67    68    69    70    72    73  
   66    67    68    72  
   64    65    72    73    74    75  
   65    73  
   73  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75  
   72    73  
   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   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.120000   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    58   465.000  1.376
   58    59   745.000  1.250
   58    60   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   335.000  1.413
   53    56   280.000  1.462
   55    61   549.000  1.340
   55    72   380.000  1.444
   61    62   340.000  1.080
   61    66   320.000  1.462
   66    67   570.000  1.229
   66    68   250.000  1.523
   68    69   570.000  1.229
   68    70   320.000  1.462
   70    71   340.000  1.080
   70    72   549.000  1.340
   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    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    58    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    58    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    58    59    65.00000  137.10300
   54    58    60    65.00000  137.10300
   60    58    59    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    70.00000  118.46000
   46    53    56    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    55    61    70.00000  113.56000
   53    55    72    70.00000  113.56000
   53    56    73    75.00000  111.57000
   53    56    57    50.00000  106.46400
   53    56    63    75.00000  110.00000
   55    61    62    35.00000  120.00000
   55    61    66    65.00000  118.96000
   55    72    70    70.00000  123.01800
   55    72    73    70.00000  124.00000
   61    66    67    80.00000  123.72100
   61    66    68    65.00000  116.00000
   66    61    62    40.00000  117.72500
   66    68    69    80.00000  119.30300
   66    68    70    65.00000  116.00000
   68    66    67    80.00000  119.30300
   68    70    71    40.00000  117.72500
   68    70    72    65.00000  118.96000
   70    68    69    80.00000  123.72100
   70    72    73    70.00000  124.00000
   72    55    61    70.00000  123.01800
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    56    70.00000  112.02700
   73    56    57    37.50000  110.70000
   73    56    63    63.00000  111.10000
   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
   56    63    64    70.00000  117.00000
   56    63    65    70.00000  117.00000
   63    56    57    35.00000  109.50000
   65    63    64    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    58   0.42700  1.0 1.0
   29    33    54    58  -0.70350 -1.0 2.0
   29    33    54    58  -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    58    59   7.00000 -1.0 2.0
   33    54    58    60   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    58   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    58  -0.28300  1.0 1.0
   38    33    54    58   0.26700 -1.0 2.0
   38    33    54    58  -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    58  -0.54700  1.0 1.0
   44    48    54    58   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    58    59   7.00000 -1.0 2.0
   48    54    58    60   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    58   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    61   5.00000 -1.0 2.0
   46    53    55    72   5.00000 -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    63   0.00000  1.0 1.0
   47    46    53    55   2.00000 -1.0 2.0
   47    46    53    56   2.00000 -1.0 2.0
   53    55    61    62   7.00000 -1.0 2.0
   53    55    61    66   7.00000 -1.0 2.0
   53    55    72    70  -0.18600  1.0 3.0
   53    55   -72    73   1.08500 -1.0 2.0
   53    56    63    64   0.30150 -1.0 2.0
   53    56    63    65   0.30150 -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    63   0.00000  1.0 1.0
   55    61    66    67   1.00000 -1.0 2.0
   55    61    66    68   0.50400  1.0 1.0
   55    61    66    68   1.60000 -1.0 2.0
   55    61    66    68  -0.01800  1.0 3.0
   55    72    73    74   0.00000  1.0 1.0
   55    72    73    75   0.00000  1.0 1.0
   55    72   -73    56   0.98200  1.0 1.0
   55    72   -73    56  -0.11900 -1.0 2.0
   55    72   -73    56   0.24250  1.0 3.0
   61    55    72    70   0.28850  1.0 1.0
   61    55    72    70   2.61350 -1.0 2.0
   61    55    72    70   0.78400  1.0 3.0
   61    55    72    73  -0.18600  1.0 3.0
   61    66    68    69   0.03000  1.0 1.0
   61    66    68    69   0.58800 -1.0 2.0
   61    66    68    69   0.15550  1.0 3.0
   61    66   -68    70   0.43900  1.0 1.0
   61    66   -68    70  -0.18150 -1.0 2.0
   61    66   -68    70  -0.03650  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.92800 -1.0 2.0
   66    68    70    71   0.92800 -1.0 2.0
   66    68    70    72   0.50400  1.0 1.0
   66    68    70    72   1.60000 -1.0 2.0
   66    68    70    72  -0.01800  1.0 3.0
   67    66    68    69   0.06100 -1.0 2.0
   67    66    68    70   0.03000  1.0 1.0
   67    66    68    70   0.58800 -1.0 2.0
   67    66    68    70   0.15550  1.0 3.0
   68    70   -72    55   7.00000 -1.0 2.0
   68    70    72    73   7.00000 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   1.00000 -1.0 2.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    56   0.09850  1.0 1.0
   70    72    73    56   0.15250 -1.0 2.0
   70    72    73    56  -0.50650  1.0 3.0
   71    70    72    55   7.00000 -1.0 2.0
   71    70    72    73   7.00000 -1.0 2.0
   72    55    61    62   7.00000 -1.0 2.0
   72    55   -61    66   7.00000 -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   0.15000  1.0 3.0
   72    73    56    63  -0.98800  1.0 1.0
   72    73    56    63   0.48800 -1.0 2.0
   72    73    56    63   0.76800  1.0 3.0
   73    56    63    64   0.00000  1.0 1.0
   73    56    63    65   0.00000  1.0 1.0
   74    73    56    53   0.15000  1.0 3.0
   74    73    56    57   0.15000  1.0 3.0
   74    73    56    63  -0.03800  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    63  -0.03800  1.0 3.0
   56    53    55    61   5.00000 -1.0 2.0
   56    53   -55    72   5.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    65   0.00000  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
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    58   1.10000 -1.0 2.0
   59    60    58    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
   53    72    55    61   1.10000 -1.0 2.0
   66    62    61    55   1.10000 -1.0 2.0
   61    68    66    67  10.50000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   68    71    70    72   1.10000 -1.0 2.0
   55    73    72    70   1.10000 -1.0 2.0
   64    56    63    65  10.50000 -1.0 2.0
END
