* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    158    250     473
    1     0 S   NP   _N1_     1    29.65912    91.19042   -24.04535
    2     1 S   H    _HN1     2     1.02782   101.27004  -104.03145
    3     1 S   H    _H1_     3     1.02963   104.60702     8.45115
    4     1 S   H    _H2_     4     1.02834     8.74413   116.06677
    5     1 S   CT   _CA1     5     1.50117   119.18605   132.38361
    6     5 S   HC   _HA1     6     1.09566   105.29442    56.80928
    7     5 S   CO3  _C1_     7     1.53816   112.30981   -63.57914
    8     7 S   O2Z  _O11     8     1.26371   115.01773   -45.29969
    9     7 S   O2Z  _O12     9     1.26238   114.90221   133.84768
   10     5 S   CT   _CB1    10     1.53038   107.38348   174.82593
   11    10 S   HC   HB11    11     1.09825   109.51069   -50.04924
   12    10 S   HC   HB12    12     1.09747   110.17751    66.44021
   13    10 S   CT   _CG1    13     1.53012   112.75490  -171.19752
   14    13 S   HC   HG11    14     1.09592   110.50332   -61.55761
   15    13 S   HC   HG12    15     1.09634   110.01281    57.75592
   16    13 S   C    _CD1    16     1.51758   112.14802   178.25796
   17    16 S   O    _OE1    17     1.22726   123.25161    -1.44103
   18    16 S   N    _N2_    18     1.38628   111.83457   178.51312
   19    18 S   H    _HN2    19     1.01565   119.10441     3.77413
   20    18 S   CT1  _CA2    20     1.46094   123.24596  -177.54752
   21    20 S   HC   _HA2    21     1.09619   109.21828     6.49975
   22    20 S   C    _C2_    22     1.53551   109.27305  -109.02936
   23    22 S   O    _O2_    23     1.23074   121.99985  -145.32163
   24    20 S   CT   _CB2    32     1.53445   111.68059   128.32423
   25    24 S   HC   HB21    33     1.09661   109.64414    66.75852
   26    24 S   HC   HB22    34     1.09586   110.60869  -176.11123
   27    22 S   N    _N3_    24     1.38433   113.80838    42.04046
   28    27 S   H    _HN3    25     1.01461   119.11164     0.03956
   29    24 S   S    _SG2    35     1.82802   115.15567   -53.03057
   30    27 S   CT   _CA3    26     1.45456   123.40476   175.37505
   31    30 S   HC   HA31    27     1.09522   109.30912    24.32709
   32    30 S   HC   HA32    28     1.09500   107.13166   141.30697
   33    29 S   CT   _C19    36     1.82179   100.10710   -61.68064
   34    33 S   HC   _H3_    37     1.09457   108.22221   -52.38280
   35    33 S   HC   _H4_    38     1.09262   110.08444    64.40495
   36    30 S   CO3  _C3_    29     1.52897   112.93401   -99.19742
   37    36 S   O2Z  _O31    30     1.26410   115.29187   -48.53553
   38    36 S   O2Z  _O32    31     1.26337   115.06450   132.34806
   39    33 S   CM   _C4_    39     1.50158   110.28485  -174.48704
   40    39 S   CMA  _C5_    40     1.35140   126.96487   107.94240
   41    40 S   OM   _O18    41     1.26326   128.09980     0.37115
   42    40 S   OS   _O20    42     1.42508   109.65949  -178.31286
   43    42 S   CT   _C13    43     1.44887   106.59381   -16.74725
   44    43 S   HC   _H35    44     1.09858   105.46445   138.74715
   45    39 S   CT   _C11    45     1.49948   122.55748   -68.49969
   46    45 S   HC   _H33    46     1.10217   104.67982    83.93260
   47    43 S   CT   _C15    64     1.57101   109.25643  -105.58045
   48    45 S   CT   _C7_    47     1.52677   119.95872   -33.24314
   49    48 S   HC   _H25    48     1.09604   109.93420   170.47827
   50    48 S   HC   _H26    49     1.09762   107.77720    57.28606
   51    47 S   CT   _C18    65     1.54864   112.83125    45.60542
   52    51 S   HC   _H40    66     1.09459   112.01330  -178.67219
   53    51 S   HC   _H41    67     1.09068   112.34977    60.49026
   54    51 S   HC   _H42    68     1.09488   112.17128   -59.63101
   55    48 S   CT   _C8_    50     1.51834   116.31449   -63.35366
   56    55 S   HC   _H27    51     1.09348   110.69773    39.22064
   57    55 S   HC   _H28    52     1.09805   106.71906   152.58659
   58    55 S   CT   _C12    53     1.54413   115.53368   -88.34224
   59    58 S   HC   _H34    54     1.10121   104.37658   -74.24835
   60    58 S   CT   _C16    55     1.56172   115.09891    42.34551
   61    58 S   CT   _C20    78     1.54387   108.99227   174.04339
   62    61 S   HC   _H45    79     1.09286   111.70639   -68.64171
   63    61 S   HC   _H46    80     1.09330   111.01330   169.16547
   64    60 S   CT   _C10    56     1.54784   114.08936   159.94223
   65    64 S   HC   _H31    57     1.09557   112.29701    77.90725
   66    64 S   HC   _H32    58     1.09327   112.77549   -44.01894
   67    60 S   OH   _O21    76     1.44490   107.01103   -83.65572
   68    67 S   HO   _H47    77     0.97249   108.28074   -58.87764
   69    61 S   OH   _O22    81     1.42543   110.47400    51.61852
   70    69 S   HO   _H48    82     0.97242   107.04483  -177.66686
   71    64 S   CT   _C9_    59     1.52785   106.64244  -160.82076
   72    71 S   HC   _H29    60     1.09611   110.81482   128.78300
   73    71 S   HC   _H30    61     1.09592   110.68562  -113.01104
   74    71 S   CT   _C14    62     1.52728   106.30590     6.82119
   75    74 S   HC   _H36    63     1.09883   108.43073   -98.73896
   76    74 S   OS   _O23    69     1.43516   111.42901   141.43184
   77    76 S   CO4  _C6_    70     1.36175   117.19553    78.14351
   78    77 S   O    _O19    71     1.22329   126.48728    -1.18118
   79    77 S   CT   _C17    72     1.49837   109.42396   178.97226
   80    79 S   HC   _H37    73     1.09298   109.82266   -60.20359
   81    79 S   HC   _H38    74     1.09377   109.36969  -179.20870
   82    79 S   HC   _H39    75     1.09287   109.81938    61.68766
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  20   7  12   5  22   9
   5   4  11   4   3   2  11   5   4  14   7  15   6   3   2  10
   6   5   3   1   1   1   6   4   3   5   2   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    50    55    47  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    60    74    47    51  
   44    45    46    48    49    50    55    58    60    64    71    74    75    47    51    52    53    54    76    67  
   45    46    48    60    74    47    51  
   46    48    49    50    55    56    57    58    60    74    47    51  
   48    49    50    55    47  
   51    52    53    54    76    77    67    68    61    48    55    58    59    60    64    65    66    71    72    73    74    75  
   49    50    55    56    57    58    59    60    61  
   50    55    56    57    58  
   55    56    57    58  
   52    53    54    76    67    58    60    64    71    74    75  
   53    54    60    74  
   54    60    74  
   60    74  
   56    57    58    59    60    64    67    61    62    63    69  
   57    58    59    60    61  
   58    59    60    61  
   59    60    64    65    66    71    74    67    68    61    62    63    69    70  
   60    64    67    61    62    63    69  
   64    65    66    71    72    73    74    75    76    67    68    61    62    63    69  
   62    63    69    70    64    67  
   63    69    70  
   69    70  
   65    66    71    72    73    74    75    76    67    68  
   66    71    72    73    74    67  
   71    72    73    74    67  
   68    71    74  
    0  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79  
   76    77  
   77    78    79    80    81    82  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    61   268.000  1.529
   60    64   268.000  1.529
   60    47   268.000  1.529
   60    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    47   268.000  1.529
   74    76   320.000  1.410
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   76    77   214.000  1.327
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   320.000  1.410
   69    70   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    48    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    60    58.35000  112.70000
   43    47    74    58.35000  112.70000
   43    47    51    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    55    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    64    58.35000  112.70000
   58    60    47    58.35000  112.70000
   58    60    67    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    69    50.00000  109.50000
   60    58    59    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    71    58.35000  112.70000
   60    47    74    58.35000  112.70000
   60    47    51    58.35000  112.70000
   60    67    68    55.00000  108.50000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    47    58.35000  112.70000
   71    74    76    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    47    51    58.35000  112.70000
   74    76    77    83.00000  116.90000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    60    64    58.35000  112.70000
   47    74    75    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   76    74    75    35.00000  109.50000
   76    74    47    50.00000  109.50000
   76    77    78    83.00000  123.40000
   76    77    79    81.00000  111.40000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    35.00000  109.50000
   79    77    78    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   67    60    64    50.00000  109.50000
   67    60    47    50.00000  109.50000
   61    58    59    37.50000  110.70000
   61    58    60    58.35000  112.70000
   61    69    70    55.00000  108.50000
   63    61    62    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    63    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    50   0.15000  1.0 3.0
   39    45    48    55   0.34400  1.0 1.0
   39    45    48    55   0.09450 -1.0 2.0
   39    45    48    55   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    60   0.62750  1.0 1.0
   42    43    47    60  -0.30950 -1.0 2.0
   42    43    47    60   0.27300  1.0 3.0
   42    43    47    74   0.62750  1.0 1.0
   42    43    47    74  -0.30950 -1.0 2.0
   42    43    47    74   0.27300  1.0 3.0
   42    43    47    51   0.62750  1.0 1.0
   42    43    47    51  -0.30950 -1.0 2.0
   42    43    47    51   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    55   0.56750  1.0 1.0
   43    45    48    55  -0.07550 -1.0 2.0
   43    45    48    55   0.20000  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    54   0.15000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    47    60   0.15000  1.0 3.0
   44    43    47    74   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    60   0.56750  1.0 1.0
   45    43    47    60  -0.07550 -1.0 2.0
   45    43    47    60   0.20000  1.0 3.0
   45    43    47    74   0.56750  1.0 1.0
   45    43    47    74  -0.07550 -1.0 2.0
   45    43    47    74   0.20000  1.0 3.0
   45    43    47    51   0.56750  1.0 1.0
   45    43    47    51  -0.07550 -1.0 2.0
   45    43    47    51   0.20000  1.0 3.0
   45    48    55    56   0.15000  1.0 3.0
   45    48    55    57   0.15000  1.0 3.0
   45    48    55    58   0.56750  1.0 1.0
   45    48    55    58  -0.07550 -1.0 2.0
   45    48    55    58   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    60   0.56750  1.0 1.0
   48    55    58    60  -0.07550 -1.0 2.0
   48    55    58    60   0.20000  1.0 3.0
   48    55    58    61   0.56750  1.0 1.0
   48    55    58    61  -0.07550 -1.0 2.0
   48    55    58    61   0.20000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    58   0.15000  1.0 3.0
   55    58    60    64   0.56750  1.0 1.0
   55    58    60    64  -0.07550 -1.0 2.0
   55    58    60    64   0.20000  1.0 3.0
   55    58    60    47   0.56750  1.0 1.0
   55    58    60    47  -0.07550 -1.0 2.0
   55    58    60    47   0.20000  1.0 3.0
   55    58    60    67   0.86500  1.0 1.0
   55    58    60    67  -0.17500 -1.0 2.0
   55    58    60    67   0.20800  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    69   0.86500  1.0 1.0
   55    58    61    69  -0.17500 -1.0 2.0
   55    58    61    69   0.20800  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    60    64    65   0.15000  1.0 3.0
   58    60    64    66   0.15000  1.0 3.0
   58    60    64    71   0.56750  1.0 1.0
   58    60    64    71  -0.07550 -1.0 2.0
   58    60    64    71   0.20000  1.0 3.0
   58    60    47    43   0.56750  1.0 1.0
   58    60    47    43  -0.07550 -1.0 2.0
   58    60    47    43   0.20000  1.0 3.0
   58    60    47    74   0.56750  1.0 1.0
   58    60    47    74  -0.07550 -1.0 2.0
   58    60    47    74   0.20000  1.0 3.0
   58    60    47    51   0.56750  1.0 1.0
   58    60    47    51  -0.07550 -1.0 2.0
   58    60    47    51   0.20000  1.0 3.0
   58    60    67    68  -0.11600  1.0 1.0
   58    60    67    68  -0.09450 -1.0 2.0
   58    60    67    68   0.21250  1.0 3.0
   58    61    69    70  -0.11600  1.0 1.0
   58    61    69    70  -0.09450 -1.0 2.0
   58    61    69    70   0.21250  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    47   0.15000  1.0 3.0
   59    58    60    67   0.23400  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    69   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    69   0.86500  1.0 1.0
   60    58    61    69  -0.17500 -1.0 2.0
   60    58    61    69   0.20800  1.0 3.0
   60    64    71    72   0.15000  1.0 3.0
   60    64    71    73   0.15000  1.0 3.0
   60    64   -71    74   0.56750  1.0 1.0
   60    64   -71    74  -0.07550 -1.0 2.0
   60    64   -71    74   0.20000  1.0 3.0
   60    47    51    52   0.15000  1.0 3.0
   60    47    51    53   0.15000  1.0 3.0
   60    47    51    54   0.15000  1.0 3.0
   64    60    47    43   0.56750  1.0 1.0
   64    60    47    43  -0.07550 -1.0 2.0
   64    60    47    43   0.20000  1.0 3.0
   64    60   -47    74   0.56750  1.0 1.0
   64    60   -47    74  -0.07550 -1.0 2.0
   64    60   -47    74   0.20000  1.0 3.0
   64    60    47    51   0.56750  1.0 1.0
   64    60    47    51  -0.07550 -1.0 2.0
   64    60    47    51   0.20000  1.0 3.0
   64    60    67    68  -0.11600  1.0 1.0
   64    60    67    68  -0.09450 -1.0 2.0
   64    60    67    68   0.21250  1.0 3.0
   64    71    74    75   0.15000  1.0 3.0
   64    71   -74    47   0.56750  1.0 1.0
   64    71   -74    47  -0.07550 -1.0 2.0
   64    71   -74    47   0.20000  1.0 3.0
   64    71    74    76   0.62750  1.0 1.0
   64    71    74    76  -0.30950 -1.0 2.0
   64    71    74    76   0.27300  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    74   0.15000  1.0 3.0
   71    74    47    43   0.56750  1.0 1.0
   71    74    47    43  -0.07550 -1.0 2.0
   71    74    47    43   0.20000  1.0 3.0
   71    74   -47    60   0.56750  1.0 1.0
   71    74   -47    60  -0.07550 -1.0 2.0
   71    74   -47    60   0.20000  1.0 3.0
   71    74    47    51   0.56750  1.0 1.0
   71    74    47    51  -0.07550 -1.0 2.0
   71    74    47    51   0.20000  1.0 3.0
   71    74    76    77  -0.25900  1.0 1.0
   71    74    76    77  -0.47000 -1.0 2.0
   71    74    76    77   0.11750  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    47   0.15000  1.0 3.0
   72    71    74    76   0.23400  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    47   0.15000  1.0 3.0
   73    71    74    76   0.23400  1.0 3.0
   74    47    51    52   0.15000  1.0 3.0
   74    47    51    53   0.15000  1.0 3.0
   74    47    51    54   0.15000  1.0 3.0
   74    76    77    78   3.00000 -1.0 2.0
   74    76    77    79   1.63150  1.0 1.0
   74    76    77    79   2.92000 -1.0 2.0
   75    74    47    43   0.15000  1.0 3.0
   75    74    47    60   0.15000  1.0 3.0
   75    74    47    51   0.15000  1.0 3.0
   75    74    76    77   0.08050  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    60    64    65   0.15000  1.0 3.0
   47    60    64    66   0.15000  1.0 3.0
   47    60   -64    71   0.56750  1.0 1.0
   47    60   -64    71  -0.07550 -1.0 2.0
   47    60   -64    71   0.20000  1.0 3.0
   47    60    67    68  -0.11600  1.0 1.0
   47    60    67    68  -0.09450 -1.0 2.0
   47    60    67    68   0.21250  1.0 3.0
   47    74    76    77  -0.25900  1.0 1.0
   47    74    76    77  -0.47000 -1.0 2.0
   47    74    76    77   0.11750  1.0 3.0
   76    74    47    43   0.62750  1.0 1.0
   76    74    47    43  -0.30950 -1.0 2.0
   76    74    47    43   0.27300  1.0 3.0
   76    74    47    60   0.62750  1.0 1.0
   76    74    47    60  -0.30950 -1.0 2.0
   76    74    47    60   0.27300  1.0 3.0
   76    74    47    51   0.62750  1.0 1.0
   76    74    47    51  -0.30950 -1.0 2.0
   76    74    47    51   0.27300  1.0 3.0
   76    77    79    80   0.00000  1.0 1.0
   76    77    79    81   0.00000  1.0 1.0
   76    77    79    82   0.00000  1.0 1.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.00000  1.0 1.0
   67    60    64    65   0.23400  1.0 3.0
   67    60    64    66   0.23400  1.0 3.0
   67    60    64    71   0.86500  1.0 1.0
   67    60    64    71  -0.17500 -1.0 2.0
   67    60    64    71   0.20800  1.0 3.0
   67    60    47    43   0.86500  1.0 1.0
   67    60    47    43  -0.17500 -1.0 2.0
   67    60    47    43   0.20800  1.0 3.0
   67    60    47    74   0.86500  1.0 1.0
   67    60    47    74  -0.17500 -1.0 2.0
   67    60    47    74   0.20800  1.0 3.0
   67    60    47    51   0.86500  1.0 1.0
   67    60    47    51  -0.17500 -1.0 2.0
   67    60    47    51   0.20800  1.0 3.0
   61    58    60    64   0.56750  1.0 1.0
   61    58    60    64  -0.07550 -1.0 2.0
   61    58    60    64   0.20000  1.0 3.0
   61    58    60    47   0.56750  1.0 1.0
   61    58    60    47  -0.07550 -1.0 2.0
   61    58    60    47   0.20000  1.0 3.0
   61    58    60    67   0.86500  1.0 1.0
   61    58    60    67  -0.17500 -1.0 2.0
   61    58    60    67   0.20800  1.0 3.0
   62    61    69    70   0.19450  1.0 3.0
   63    61    69    70   0.19450  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   76    79    77    78  10.50000 -1.0 2.0
END
