* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    164    261     491
    1     0 S   NP   _N1_     1    28.79247    95.45344   -24.97172
    2     1 S   H    _HN1     2     1.02784   112.26796   -87.71546
    3     1 S   H    _H1_     3     1.02951    76.47513    16.84986
    4     1 S   H    _H2_     4     1.02829    31.33477  -175.74812
    5     1 S   CT   _CA1     5     1.50110   129.46451   122.30823
    6     5 S   HC   _HA1     6     1.09573   105.20938    88.61427
    7     5 S   CO3  _C1_     7     1.53793   112.44151   -31.64234
    8     7 S   O2Z  _O11     8     1.26372   115.00607   -43.01251
    9     7 S   O2Z  _O12     9     1.26240   114.94382   136.13928
   10     5 S   CT   _CB1    10     1.53082   107.42568  -153.39935
   11    10 S   HC   HB11    11     1.09831   109.39194   -49.80305
   12    10 S   HC   HB12    12     1.09815   110.43492    66.80357
   13    10 S   CT   _CG1    13     1.52989   112.60307  -170.79261
   14    13 S   HC   HG11    14     1.09586   110.60054   -64.93073
   15    13 S   HC   HG12    15     1.09668   109.82545    54.30441
   16    13 S   C    _CD1    16     1.51798   112.25475   174.75835
   17    16 S   O    _OE1    17     1.22728   123.29532     5.24019
   18    16 S   N    _N2_    18     1.38654   111.65149  -174.87857
   19    18 S   H    _HN2    19     1.01582   118.94012     1.87179
   20    18 S   CT1  _CA2    20     1.46191   123.37377   178.03258
   21    20 S   HC   _HA2    21     1.09735   109.38093     0.79893
   22    20 S   C    _C2_    22     1.53514   108.54670  -114.70595
   23    22 S   O    _O2_    23     1.23053   122.29004  -147.54721
   24    20 S   CT   _CB2    32     1.53359   111.60592   122.80421
   25    24 S   HC   HB21    33     1.09580   110.03149    56.51144
   26    24 S   HC   HB22    34     1.09407   109.94509   175.51293
   27    22 S   N    _N3_    24     1.38333   113.65930    39.86402
   28    27 S   H    _HN3    25     1.01597   119.57494    -3.35229
   29    24 S   S    _SG2    35     1.82776   111.47395   -64.36716
   30    27 S   CT   _CA3    26     1.45289   123.18797   177.10187
   31    30 S   HC   HA31    27     1.09550   107.51078   -64.42880
   32    30 S   HC   HA32    28     1.09557   107.97805    52.00050
   33    29 S   CT   _C8_    36     1.85765    99.76729   172.85334
   34    33 S   HC   _H4_    37     1.09478   104.91102   -44.35668
   35    30 S   CO3  _C3_    29     1.52954   114.09609   173.99420
   36    35 S   O2Z  _O31    30     1.26374   116.06390    -0.79648
   37    35 S   O2Z  _O32    31     1.26429   114.41190   179.26671
   38    33 S   CM   _C9_    38     1.52039   107.38991  -161.34880
   39    33 S   CT   _C7_    50     1.53547   112.25330    74.95305
   40    39 S   HC   _H3_    51     1.09710   109.32085   -49.20494
   41    38 S   CM   _C10    39     1.34318   118.01885    95.18689
   42    41 S   HC   _H13    40     1.08434   122.87391     3.38159
   43    39 S   CT   _C5_    52     1.55834   114.56372  -170.48153
   44    43 S   HC   _H9_    53     1.09744   109.89224   -66.06760
   45    41 S   CO4  _C11    41     1.47501   120.15798  -171.49781
   46    45 S   O    _O33    42     1.22532   119.13383  -161.49091
   47    43 S   CT   _C4_    54     1.53276   112.40671    53.85574
   48    47 S   HC   _H6_    55     1.09517   111.20448    53.05910
   49    47 S   HC   _H7_    56     1.09390   111.47336   -68.08414
   50    47 S   HC   _H8_    57     1.09561   110.91797   173.19773
   51    43 S   CT   _C6_    58     1.53609   111.12802   175.67759
   52    51 S   HC   _H10    59     1.09527   111.21893   -57.79426
   53    51 S   HC   _H11    60     1.09556   110.80566  -177.84296
   54    51 S   HC   _H12    61     1.09415   111.48790    63.14418
   55    45 S   CT   _C12    43     1.52425   115.15713    22.10012
   56    55 S   HC   _H5_    44     1.10533   103.44162    57.92414
   57    55 S   CT   _C13    45     1.56964   108.85347   -53.62021
   58    38 S   CM   _C14    46     1.48355   118.30394   -84.99552
   59    57 S   CT   _C17    64     1.55809   107.42315   177.29788
   60    59 S   HC   _H15    65     1.09839   109.32608   -73.64520
   61    59 S   HC   _H16    66     1.09484   110.92226   168.52187
   62    57 S   CT   _C23    82     1.54937   112.94822   -62.62417
   63    62 S   HC   _H27    83     1.08956   113.00315   -71.63407
   64    62 S   HC   _H28    84     1.09736   111.07398   170.09460
   65    62 S   HC   _H29    85     1.09516   112.28313    50.47997
   66    58 S   CM   _C15    47     1.35601   119.57107    -8.00651
   67    59 S   CT   _C18    67     1.52789   115.11434    48.50941
   68    67 S   HC   _H17    68     1.09474   110.39204    68.71033
   69    67 S   HC   _H18    69     1.09699   108.76322  -175.59518
   70    66 S   CO4  _C16    48     1.49626   121.37515    -4.36184
   71    70 S   O    _O34    49     1.23077   119.65303   168.17803
   72    66 S   OH   _O35    62     1.37723   123.51894   179.69999
   73    72 S   HO   _H14    63     0.97445   107.26648  -179.77445
   74    67 S   CT   _C19    70     1.51963   112.18455   -55.07424
   75    74 S   HC   _H19    71     1.09755   109.15504   179.74056
   76    74 S   HC   _H20    72     1.09870   108.18129   -65.26729
   77    55 S   CT   _C20    73     1.56561   115.46321   170.31842
   78    77 S   CT   _C21    74     1.54161   115.51584    59.26564
   79    78 S   HC   _H21    75     1.09249   112.59438   -54.43402
   80    78 S   HC   _H22    76     1.09736   110.36836  -173.39731
   81    78 S   HC   _H23    77     1.08903   113.33381    68.15274
   82    77 S   CT   _C22    78     1.55172   109.72621   -61.70088
   83    82 S   HC   _H24    79     1.09392   112.18513    68.56038
   84    82 S   HC   _H25    80     1.09592   111.37011   -52.31125
   85    82 S   HC   _H26    81     1.09659   110.99047  -171.76963
  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   9   5   4   3
  16   7   2   1   1  15  17   7   9   4  12   9  11   4   8   3
   2   1   4   2   1   1  24   8  18  14  14   6   5   6   2   1
   1   4   8   5   4   3   1   1   1  11   4   3   8   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    70    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    57    58    66    70    71    39    40    43    44    47    51  
   38    41    58    70    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    55    57    58    66    70    39    40    43    72    59    62  
   40    43    44    47    48    49    50    51    52    53    54    72    41    58    66    70    71  
   43    44    47    51    66    70    71  
   42    45    46    55    56    57    58    66    77  
   45    46    55    58  
   44    47    48    49    50    51    52    53    54    66    70    71  
   47    48    49    50    51    52    53    54    70  
   46    55    56    57    58    59    74    77    78    82    62  
   55    56    57    77  
   48    49    50    51    52    53    54    70  
   49    50    51  
   50    51  
   51  
   52    53    54    70  
   53    54  
   54  
    0  
   56    57    58    66    59    60    61    67    74    75    76    77    78    79    80    81    82    83    84    85    62    63    64    65  
   57    58    59    74    77    78    82    62  
   58    66    70    72    59    60    61    67    68    69    74    77    78    82    62    63    64    65  
   66    70    71    72    73    59    60    61    67    77    62    63    64    65  
   60    61    67    68    69    74    75    76    77    62    63    64    65    66  
   61    67    68    69    74    62  
   67    68    69    74    62  
   63    64    65    66    67    77  
   64    65  
   65  
    0  
   70    71    72    73  
   68    69    74    75    76    77    78    82  
   69    74    75    76    77  
   74    75    76    77  
   71    72    73  
   72  
   73  
    0  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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    39   268.000  1.529
   38    41   549.000  1.340
   38    58   380.000  1.444
   41    42   340.000  1.080
   41    45   320.000  1.462
   45    46   570.000  1.229
   45    55   317.000  1.522
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    77   268.000  1.529
   57    58   317.000  1.510
   57    59   268.000  1.529
   57    62   268.000  1.529
   58    66   549.000  1.340
   66    70   320.000  1.462
   66    72   510.000  1.338
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   72    73   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
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    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    58    70.00000  124.00000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    65.00000  118.96000
   38    58    57    70.00000  124.00000
   38    58    66    70.00000  123.01800
   41    45    46    80.00000  123.72100
   41    45    55    65.00000  118.62400
   45    41    42    40.00000  117.72500
   45    55    56    35.00000  109.50000
   45    55    57    63.00000  111.10000
   45    55    77    63.00000  111.10000
   55    45    46    80.00000  120.40000
   55    57    58    70.00000  112.02700
   55    57    59    58.35000  112.70000
   55    57    62    58.35000  112.70000
   55    77    74    58.35000  112.70000
   55    77    78    58.35000  112.70000
   55    77    82    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    58    66    70.00000  124.00000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    67    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   58    38    41    70.00000  123.01800
   58    66    70    65.00000  118.96000
   58    66    72    80.00000  121.38400
   66    70    71    80.00000  123.72100
   66    70    39    65.00000  118.62400
   66    72    73    70.00000  107.45700
   70    39    40    35.00000  109.50000
   70    39    43    63.00000  111.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    70    71    80.00000  120.40000
   39    43    44    37.50000  110.70000
   39    43    47    58.35000  112.70000
   39    43    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   72    66    70    85.00000  116.28000
   59    57    58    70.00000  112.02700
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    57    58.35000  112.70000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   62    57    58    70.00000  112.02700
   62    57    59    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    58   0.42700  1.0 1.0
   29    33    38    58  -0.70350 -1.0 2.0
   29    33    38    58  -0.43150  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    58    57   0.35650  1.0 1.0
   33    38    58    57   0.31450 -1.0 2.0
   33    38    58    66  -0.18600  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    47   0.56750  1.0 1.0
   33    39    43    47  -0.07550 -1.0 2.0
   33    39    43    47   0.20000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    70  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    70  -0.98800  1.0 1.0
   38    33    39    70   0.48800 -1.0 2.0
   38    33    39    70   0.76800  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    45    46   1.00000 -1.0 2.0
   38    41    45    55  -0.33500  1.0 1.0
   38    41    45    55   1.06600 -1.0 2.0
   38    41    45    55  -0.14000  1.0 3.0
   38    58   -66    70   7.00000 -1.0 2.0
   38    58    66    72   7.00000 -1.0 2.0
   41    38    58    57  -0.18600  1.0 3.0
   41    38    58    66   0.28850  1.0 1.0
   41    38    58    66   2.61350 -1.0 2.0
   41    38    58    66   0.78400  1.0 3.0
   41    45    55    56   0.00000  1.0 1.0
   41    45   -55    57   0.65300  1.0 1.0
   41    45   -55    57  -0.03850 -1.0 2.0
   41    45   -55    57   0.33900  1.0 3.0
   41    45    55    77   0.65300  1.0 1.0
   41    45    55    77  -0.03850 -1.0 2.0
   41    45    55    77   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    55   0.04550  1.0 1.0
   42    41    45    55   0.83000 -1.0 2.0
   42    41    45    55  -0.04000  1.0 3.0
   45    55    57    58  -0.98800  1.0 1.0
   45    55    57    58   0.48800 -1.0 2.0
   45    55    57    58   0.76800  1.0 3.0
   45    55    57    59  -0.95700  1.0 1.0
   45    55    57    59  -0.18200 -1.0 2.0
   45    55    57    59   0.29450  1.0 3.0
   45    55    57    62  -0.95700  1.0 1.0
   45    55    57    62  -0.18200 -1.0 2.0
   45    55    57    62   0.29450  1.0 3.0
   45    55    77    74  -0.95700  1.0 1.0
   45    55    77    74  -0.18200 -1.0 2.0
   45    55    77    74   0.29450  1.0 3.0
   45    55    77    78  -0.95700  1.0 1.0
   45    55    77    78  -0.18200 -1.0 2.0
   45    55    77    78   0.29450  1.0 3.0
   45    55    77    82  -0.95700  1.0 1.0
   45    55    77    82  -0.18200 -1.0 2.0
   45    55    77    82   0.29450  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    57   0.30150 -1.0 2.0
   46    45    55    77   0.30150 -1.0 2.0
   55    57   -58    38   0.98200  1.0 1.0
   55    57   -58    38  -0.11900 -1.0 2.0
   55    57   -58    38   0.24250  1.0 3.0
   55    57    58    66   0.09850  1.0 1.0
   55    57    58    66   0.15250 -1.0 2.0
   55    57    58    66  -0.50650  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    67   0.56750  1.0 1.0
   55    57    59    67  -0.07550 -1.0 2.0
   55    57    59    67   0.20000  1.0 3.0
   55    57    62    63   0.15000  1.0 3.0
   55    57    62    64   0.15000  1.0 3.0
   55    57    62    65   0.15000  1.0 3.0
   55    77    78    79   0.15000  1.0 3.0
   55    77    78    80   0.15000  1.0 3.0
   55    77    78    81   0.15000  1.0 3.0
   55    77    82    83   0.15000  1.0 3.0
   55    77    82    84   0.15000  1.0 3.0
   55    77    82    85   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    77    74   0.15000  1.0 3.0
   56    55    77    78   0.15000  1.0 3.0
   56    55    77    82   0.15000  1.0 3.0
   57    55    77    74   0.56750  1.0 1.0
   57    55    77    74  -0.07550 -1.0 2.0
   57    55    77    74   0.20000  1.0 3.0
   57    55    77    78   0.56750  1.0 1.0
   57    55    77    78  -0.07550 -1.0 2.0
   57    55    77    78   0.20000  1.0 3.0
   57    55    77    82   0.56750  1.0 1.0
   57    55    77    82  -0.07550 -1.0 2.0
   57    55    77    82   0.20000  1.0 3.0
   57    58    66    70   7.00000 -1.0 2.0
   57    58    66    72   7.00000 -1.0 2.0
   57    59    67    68   0.15000  1.0 3.0
   57    59    67    69   0.15000  1.0 3.0
   57    59   -67    74   0.56750  1.0 1.0
   57    59   -67    74  -0.07550 -1.0 2.0
   57    59   -67    74   0.20000  1.0 3.0
   58    38    41    42   7.00000 -1.0 2.0
   58    38   -41    45   7.00000 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    67   0.34400  1.0 1.0
   58    57    59    67   0.09450 -1.0 2.0
   58    57    59    67   0.11100  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    66    70    71   1.00000 -1.0 2.0
   58    66    70    39  -0.33500  1.0 1.0
   58    66    70    39   1.06600 -1.0 2.0
   58    66    70    39  -0.14000  1.0 3.0
   58    66    72    73  -0.66100  1.0 1.0
   58    66    72    73   1.20850 -1.0 2.0
   58    66    72    73  -0.36000  1.0 3.0
   66    70   -39    33   0.65300  1.0 1.0
   66    70   -39    33  -0.03850 -1.0 2.0
   66    70   -39    33   0.33900  1.0 3.0
   66    70    39    40   0.00000  1.0 1.0
   66    70    39    43   0.65300  1.0 1.0
   66    70    39    43  -0.03850 -1.0 2.0
   66    70    39    43   0.33900  1.0 3.0
   70    66    72    73   2.00000 -1.0 2.0
   70    39    43    44  -0.11250  1.0 3.0
   70    39    43    47  -0.95700  1.0 1.0
   70    39    43    47  -0.18200 -1.0 2.0
   70    39    43    47   0.29450  1.0 3.0
   70    39    43    51  -0.95700  1.0 1.0
   70    39    43    51  -0.18200 -1.0 2.0
   70    39    43    51   0.29450  1.0 3.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    43   0.30150 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    58   0.98200  1.0 1.0
   39    33   -38    58  -0.11900 -1.0 2.0
   39    33   -38    58   0.24250  1.0 3.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    49   0.15000  1.0 3.0
   39    43    47    50   0.15000  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    54   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    47   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    49   0.15000  1.0 3.0
   51    43    47    50   0.15000  1.0 3.0
   72    66    70    71  -0.11900  1.0 1.0
   72    66    70    71   0.76850 -1.0 2.0
   72    66    70    71   0.14100  1.0 3.0
   72    66    70    39   0.32450 -1.0 2.0
   72    66    70    39   0.17400  1.0 3.0
   59    57    58    38   0.98200  1.0 1.0
   59    57    58    38  -0.11900 -1.0 2.0
   59    57    58    38   0.24250  1.0 3.0
   59    57    58    66   0.09850  1.0 1.0
   59    57    58    66   0.15250 -1.0 2.0
   59    57    58    66  -0.50650  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    67    74    75   0.15000  1.0 3.0
   59    67    74    76   0.15000  1.0 3.0
   59    67    74    77   0.56750  1.0 1.0
   59    67    74    77  -0.07550 -1.0 2.0
   59    67    74    77   0.20000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    74   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    74   0.15000  1.0 3.0
   67    74   -77    55   0.56750  1.0 1.0
   67    74   -77    55  -0.07550 -1.0 2.0
   67    74   -77    55   0.20000  1.0 3.0
   67    74    77    78   0.56750  1.0 1.0
   67    74    77    78  -0.07550 -1.0 2.0
   67    74    77    78   0.20000  1.0 3.0
   67    74    77    82   0.56750  1.0 1.0
   67    74    77    82  -0.07550 -1.0 2.0
   67    74    77    82   0.20000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    84   0.15000  1.0 3.0
   74    77    82    85   0.15000  1.0 3.0
   75    74    77    55   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   76    74    77    55   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    82   0.15000  1.0 3.0
   77    55    57    58   0.34400  1.0 1.0
   77    55    57    58   0.09450 -1.0 2.0
   77    55    57    58   0.11100  1.0 3.0
   77    55   -57    59   0.56750  1.0 1.0
   77    55   -57    59  -0.07550 -1.0 2.0
   77    55   -57    59   0.20000  1.0 3.0
   77    55    57    62   0.56750  1.0 1.0
   77    55    57    62  -0.07550 -1.0 2.0
   77    55    57    62   0.20000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   62    57    58    38   0.98200  1.0 1.0
   62    57    58    38  -0.11900 -1.0 2.0
   62    57    58    38   0.24250  1.0 3.0
   62    57    58    66   0.09850  1.0 1.0
   62    57    58    66   0.15250 -1.0 2.0
   62    57    58    66  -0.50650  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    67   0.56750  1.0 1.0
   62    57    59    67  -0.07550 -1.0 2.0
   62    57    59    67   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    58    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   41    55    45    46  10.50000 -1.0 2.0
   38    57    58    66   1.10000 -1.0 2.0
   70    72    66    58   1.10000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
END
