* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    153    243     450
    1     0 S   NP   _N1_     1    34.89887   101.50979   -20.70957
    2     1 S   H    _HN1     2     1.03499   141.59699   -28.47163
    3     1 S   H    _H1_     3     1.02715    69.92343  -121.15574
    4     1 S   H    _H2_     4     1.02813   109.53104   136.38701
    5     1 S   CT   _CA1     5     1.50522    44.71923    36.97017
    6     5 S   HC   _HA1     6     1.09450   104.14386   156.97041
    7     5 S   CO3  _C1_     7     1.54383   111.97649    41.21508
    8     7 S   O2Z  _O11     8     1.26638   114.19133    42.17450
    9     7 S   O2Z  _O12     9     1.26121   116.62348  -137.38774
   10     5 S   CT   _CB1    10     1.53133   106.83535   -86.64301
   11    10 S   HC   HB11    11     1.09579   109.52108   -36.11866
   12    10 S   HC   HB12    12     1.09799   110.13368    79.26869
   13    10 S   CT   _CG1    13     1.53378   113.08324  -158.75803
   14    13 S   HC   HG11    14     1.09544   110.74978   -97.23255
   15    13 S   HC   HG12    15     1.09467   111.87959    22.15572
   16    13 S   C    _CD1    16     1.51481   110.06588   142.59100
   17    16 S   O    _OE1    17     1.22826   121.98617   102.49915
   18    16 S   N    _N2_    18     1.38511   112.53812   -75.22181
   19    18 S   H    _HN2    19     1.01882   118.86445    -2.12872
   20    18 S   CT1  _CA2    20     1.45645   122.79561   171.02797
   21    20 S   HC   _HA2    21     1.09679   109.02329    29.81706
   22    20 S   C    _C2_    22     1.53322   108.12218   -86.28920
   23    22 S   O    _O2_    23     1.23213   120.76899   144.45560
   24    20 S   CT   _CB2    32     1.53034   112.12203   154.11690
   25    24 S   HC   HB21    33     1.08841   109.44398    47.52989
   26    24 S   HC   HB22    34     1.09606   109.71115   164.06993
   27    22 S   N    _N3_    24     1.38523   114.92501   -43.02320
   28    27 S   H    _HN3    25     1.01771   119.74904     0.02798
   29    24 S   S    _SG2    35     1.83067   112.87191   -78.18124
   30    27 S   CT   _CA3    26     1.45427   122.51973  -175.62216
   31    30 S   HC   HA31    27     1.09562   108.56874   -41.05154
   32    30 S   HC   HA32    28     1.09581   106.77566    75.00751
   33    29 S   CT   _C16    36     1.88695   103.26035   115.93283
   34    30 S   CO3  _C3_    29     1.52923   114.93644  -163.08687
   35    34 S   O2Z  _O31    30     1.26346   116.32568    23.49180
   36    34 S   O2Z  _O32    31     1.26514   114.48401  -157.79672
   37    33 S   CM   _C15    37     1.51660   108.17045   -66.60713
   38    37 S   HC   _H8_    38     1.09107   115.38661   -54.08447
   39    33 S   CT   _C17    73     1.59154   110.34920    57.59735
   40    39 S   OM   _O37    74     1.33208   110.44801    83.80524
   41    39 S   HC   _H3_    75     1.09243   107.42788   -43.12236
   42    33 S   OS   _O38    80     1.46115   109.94118   175.78713
   43    37 S   CMA  _C14    39     1.35080   128.12556   130.27812
   44    43 S   OM   _O39    40     1.26746   127.57617   171.75905
   45    42 S   CT   _C20    81     1.41932   118.83819    65.87829
   46    45 S   HC   _H10    82     1.09401   107.70401  -169.01902
   47    45 S   HC   _H11    83     1.09351   110.79946    73.88724
   48    45 S   HC   _H12    84     1.09239   112.44444   -50.27809
   49    43 S   CT   _C13    41     1.57786   119.04516    -5.72502
   50    49 S   CMA  _C12    42     1.59627   114.64866   -95.17464
   51    50 S   OM   _O34    43     1.26729   113.11728   -26.13073
   52    49 S   OH   _O40    78     1.45071   109.70532   146.01465
   53    52 S   HO   _H13    79     0.97396   105.28949    31.49056
   54    50 S   CM   _C10    44     1.36182   117.67045   154.62347
   55    54 S   CM   _C9_    45     1.44895   123.23530     4.10432
   56    54 S   CO4  _C11    55     1.51070   120.00437  -175.49237
   57    56 S   O    _O33    56     1.22481   122.53226    29.28508
   58    55 S   CM   _C8_    46     1.34041   122.13032   166.32193
   59    58 S   HC   _H7_    47     1.08592   121.67231   179.53438
   60    55 S   CO4  _C19    70     1.49123   119.85481   -13.97662
   61    60 S   O    _O35    71     1.23113   121.38109   166.73734
   62    58 S   CA   _C7_    48     1.46652   120.84768    -2.55037
   63    49 S   CT   _C18    72     1.57765   108.66500    30.12258
   64    62 S   CA   _C21    49     1.39994   118.67530  -171.95385
   65    64 S   HA   _H14    50     1.08775   120.15519    -0.37949
   66    63 S   OH   _O36    76     1.43629   109.36173    64.02048
   67    66 S   HO   _H9_    77     0.97390   105.81002  -166.46025
   68    64 S   CA   _C22    51     1.39091   120.01656   179.98022
   69    68 S   CA   _C23    52     1.39775   120.28551    -0.80454
   70    68 S   OH   _O43    68     1.36840   119.92740   178.83904
   71    70 S   HO   _H18    69     0.97237   109.00893     0.78534
   72    69 S   CA   _C5_    53     1.41195   121.21822    -0.63980
   73    69 S   CO4  _C24    61     1.47170   117.66413   179.90109
   74    73 S   O    _O41    62     1.21836   123.99022    71.91089
   75    62 S   CA   _C6_    54     1.41024   121.38816     8.07497
   76    72 S   CT   _C4_    57     1.50859   120.36567  -177.34583
   77    76 S   HC   _H4_    58     1.09428   110.22458  -100.87770
   78    76 S   HC   _H5_    59     1.09412   112.48144    19.82363
   79    76 S   HC   _H6_    60     1.09500   110.79887   137.15118
   80    73 S   OS   _O42    63     1.35621   107.50307  -107.07920
   81    80 S   CT   _C25    64     1.42986   114.84500   179.70993
   82    81 S   HC   _H15    65     1.09327   108.12707   179.59652
   83    81 S   HC   _H16    66     1.09431   110.30064    60.89063
   84    81 S   HC   _H17    67     1.09427   110.28872   -61.68147
  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  10   5   4   3
  16   2   1   1  12   5  14   6   5   6  10   4   3   2   1   1
  12  12   5   5   1  11  11   9   3  10   4   5   2   8   2   8
   4   1   1   9  12   3   1   8   8   2   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    63    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    60    63    39    40    41    66    42    45    46    47    48  
   35    36  
   36  
    0  
   38    43    44    49    50    63    39    40    41    52    42    45  
   43    44    49    39    42  
   40    41    66    67    52    42    45    43    49    50    55    60    61    63  
   41    66    42    49    60    63  
   66    42    49    60    63  
   45    46    47    48    43    63  
   44    49    50    51    54    60    63    66    52    53  
   49    50    63    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    54    55    56    60    61    63    66    67    52    53  
   51    54    55    58    75    56    57    60    63    66    52    53  
   54    55    56    63    52  
   53    54    60    63    66  
   63  
   55    58    59    62    72    75    56    57    60    61    63  
   58    59    62    64    75    56    57    60    61    63    66  
   57    76    60    58    62    64    69    72    75  
   62    72    75  
   59    62    64    65    68    72    75    60    61    63  
   62    64    75    60  
   61    63    66    67    62  
   63    66  
   64    65    68    69    72    75    76    70  
   66    67  
   65    68    69    72    75    73    70    71  
   68    69    75    70  
   67  
    0  
   69    72    75    76    73    74    80    70    71  
   72    75    76    77    78    79    73    74    80    81    70    71  
   71    72    73  
    0  
   75    76    77    78    79    73    74    80  
   74    80    81    82    83    84    75    76  
   80    81  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    49   270.000  1.512
   49    50   270.000  1.512
   49    63   268.000  1.529
   49    52   320.000  1.410
   50    51   745.000  1.250
   50    54   465.000  1.376
   54    55   380.000  1.444
   54    56   320.000  1.462
   55    58   549.000  1.340
   55    60   320.000  1.462
   58    59   340.000  1.080
   58    62   320.000  1.460
   62    64   469.000  1.400
   62    75   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    72   469.000  1.400
   69    73   310.000  1.470
   72    75   469.000  1.400
   72    76   317.000  1.510
   75    56   310.000  1.470
   56    57   570.000  1.229
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   73    74   570.000  1.229
   73    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   70    71   553.000  0.945
   60    61   570.000  1.229
   60    63   317.000  1.522
   63    39   268.000  1.529
   63    66   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    67   553.000  0.945
   52    53   553.000  0.945
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    63    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    45    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    49    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    49    50    70.00000  110.12100
   43    49    63    70.00000  112.02700
   43    49    52    90.00000  110.39200
   49    43    44    85.00000  112.85300
   49    50    51    85.00000  112.85300
   49    50    54    65.00000  122.18000
   49    63    60    63.00000  111.10000
   49    63    39    58.35000  112.70000
   49    63    66    50.00000  109.50000
   49    52    53    55.00000  108.50000
   50    54    55    70.00000  117.34000
   50    54    56    60.00000  125.92000
   54    50    51    65.00000  137.10300
   54    55    58    70.00000  123.01800
   54    55    60    65.00000  118.96000
   54    56    75    65.00000  117.02400
   54    56    57    80.00000  123.72100
   55    58    59    35.00000  120.00000
   55    58    62    60.00000  123.20500
   55    60    61    80.00000  123.72100
   55    60    63    65.00000  118.62400
   58    62    64    60.00000  120.93500
   58    62    75    60.00000  120.93500
   62    58    59    40.00000  117.26300
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    75    72    63.00000  120.00000
   62    75    56    60.00000  119.52600
   64    68    69    63.00000  120.00000
   64    68    70    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    72    63.00000  120.00000
   68    69    73    60.00000  119.52600
   68    70    71    35.00000  113.00000
   69    72    75    63.00000  120.00000
   69    72    76    70.00000  120.00000
   69    73    74    75.00000  123.78400
   69    73    80    81.00000  111.40000
   72    75    56    60.00000  119.52600
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   75    62    64    63.00000  120.00000
   75    56    57    75.00000  123.78400
   56    54    55    65.00000  118.96000
   76    72    75    70.00000  120.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   73    69    72    60.00000  119.52600
   73    80    81    83.00000  116.90000
   80    73    74    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    68    69    70.00000  120.00000
   60    55    58    65.00000  118.96000
   60    63    39    63.00000  111.10000
   60    63    66    90.00000  109.61100
   63    49    50    70.00000  112.02700
   63    60    61    80.00000  120.40000
   63    39    40    50.00000  109.50000
   63    39    41    37.50000  110.70000
   63    66    67    55.00000  108.50000
   39    33    37    70.00000  112.02700
   41    39    40    45.00000  125.66300
   66    63    39    50.00000  109.50000
   52    49    50    90.00000  110.39200
   52    49    63    50.00000  109.50000
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    45   0.14700  1.0 1.0
   29    33    42    45  -1.16150 -1.0 2.0
   29    33    42    45   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    49   7.00000 -1.0 2.0
   33    42    45    46   0.37050  1.0 3.0
   33    42    45    47   0.37050  1.0 3.0
   33    42    45    48   0.37050  1.0 3.0
   37    33    39    63   0.34400  1.0 1.0
   37    33    39    63   0.09450 -1.0 2.0
   37    33    39    63   0.11100  1.0 3.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    45  -0.77900  1.0 1.0
   37    33    42    45  -0.36900 -1.0 2.0
   37    33    42    45   0.40400  1.0 3.0
   37    43    49    50  -0.28300  1.0 1.0
   37    43    49    50   0.26700 -1.0 2.0
   37    43    49    50  -0.63300  1.0 3.0
   37    43   -49    63   0.09850  1.0 1.0
   37    43   -49    63   0.15250 -1.0 2.0
   37    43   -49    63  -0.50650  1.0 3.0
   37    43    49    52   0.67800  1.0 1.0
   37    43    49    52   0.47050 -1.0 2.0
   37    43    49    52  -0.62500  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    49   7.00000 -1.0 2.0
   43    49    50    51   0.09700  1.0 1.0
   43    49    50    51   0.15600 -1.0 2.0
   43    49    50    51  -0.50800  1.0 3.0
   43    49    50    54  -0.28300  1.0 1.0
   43    49    50    54   0.26700 -1.0 2.0
   43    49    50    54  -0.63300  1.0 3.0
   43    49    63    60  -0.98800  1.0 1.0
   43    49    63    60   0.48800 -1.0 2.0
   43    49    63    60   0.76800  1.0 3.0
   43    49    63    39   0.34400  1.0 1.0
   43    49    63    39   0.09450 -1.0 2.0
   43    49    63    39   0.11100  1.0 3.0
   43    49    63    66   1.05650  1.0 1.0
   43    49    63    66   0.15600 -1.0 2.0
   43    49    63    66   0.53150  1.0 3.0
   43    49    52    53  -0.07800  1.0 1.0
   43    49    52    53  -0.21500 -1.0 2.0
   43    49    52    53  -0.03150  1.0 3.0
   44    43    49    50   0.09700  1.0 1.0
   44    43    49    50   0.15600 -1.0 2.0
   44    43    49    50  -0.50800  1.0 3.0
   44    43    49    63   0.09700  1.0 1.0
   44    43    49    63   0.15600 -1.0 2.0
   44    43    49    63  -0.50800  1.0 3.0
   44    43    49    52   0.09700  1.0 1.0
   44    43    49    52   0.15600 -1.0 2.0
   44    43    49    52  -0.50800  1.0 3.0
   49    50    54    55   7.00000 -1.0 2.0
   49    50    54    56   7.00000 -1.0 2.0
   49    63   -39    33   0.56750  1.0 1.0
   49    63   -39    33  -0.07550 -1.0 2.0
   49    63   -39    33   0.20000  1.0 3.0
   49    63    39    40   0.62750  1.0 1.0
   49    63    39    40  -0.30950 -1.0 2.0
   49    63    39    40   0.27300  1.0 3.0
   49    63    39    41   0.15000  1.0 3.0
   49    63    66    67  -0.11600  1.0 1.0
   49    63    66    67  -0.09450 -1.0 2.0
   49    63    66    67   0.21250  1.0 3.0
   50    49    63    60  -0.98800  1.0 1.0
   50    49    63    60   0.48800 -1.0 2.0
   50    49    63    60   0.76800  1.0 3.0
   50    49    63    39   0.34400  1.0 1.0
   50    49    63    39   0.09450 -1.0 2.0
   50    49    63    39   0.11100  1.0 3.0
   50    49    63    66   1.05650  1.0 1.0
   50    49    63    66   0.15600 -1.0 2.0
   50    49    63    66   0.53150  1.0 3.0
   50    49    52    53  -0.07800  1.0 1.0
   50    49    52    53  -0.21500 -1.0 2.0
   50    49    52    53  -0.03150  1.0 3.0
   50    54    55    58   0.28850  1.0 1.0
   50    54    55    58   2.61350 -1.0 2.0
   50    54    55    58   0.78400  1.0 3.0
   50    54   -55    60  -0.18600  1.0 3.0
   50    54    56    75  -1.65800  1.0 1.0
   50    54    56    75   0.77650 -1.0 2.0
   50    54    56    57   1.00000 -1.0 2.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    55    58    59   7.00000 -1.0 2.0
   54    55    58    62   7.00000 -1.0 2.0
   54    55    60    61   1.00000 -1.0 2.0
   54    55    60    63  -0.33500  1.0 1.0
   54    55    60    63   1.06600 -1.0 2.0
   54    55    60    63  -0.14000  1.0 3.0
   55    54    56    75  -1.65800  1.0 1.0
   55    54    56    75   0.77650 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    58    62    64   0.15800  1.0 1.0
   55    58    62    64   1.85350 -1.0 2.0
   55    58    62    64  -0.48700  1.0 3.0
   55    58   -62    75   0.15800  1.0 1.0
   55    58   -62    75   1.85350 -1.0 2.0
   55    58   -62    75  -0.48700  1.0 3.0
   55    60   -63    49   0.65300  1.0 1.0
   55    60   -63    49  -0.03850 -1.0 2.0
   55    60   -63    49   0.33900  1.0 3.0
   55    60    63    39   0.65300  1.0 1.0
   55    60    63    39  -0.03850 -1.0 2.0
   55    60    63    39   0.33900  1.0 3.0
   55    60    63    66   0.65300  1.0 1.0
   55    60    63    66  -0.03850 -1.0 2.0
   55    60    63    66   0.33900  1.0 3.0
   58    55    60    61   1.00000 -1.0 2.0
   58    55    60    63  -0.33500  1.0 1.0
   58    55    60    63   1.06600 -1.0 2.0
   58    55    60    63  -0.14000  1.0 3.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    75    72   3.62500 -1.0 2.0
   58    62    75    56   3.62500 -1.0 2.0
   59    58    62    64   0.56550  1.0 3.0
   59    58    62    75   0.56550  1.0 3.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    70   3.62500 -1.0 2.0
   62    75   -56    54  -0.11500  1.0 1.0
   62    75   -56    54   1.10450 -1.0 2.0
   62    75   -56    54  -0.48050  1.0 3.0
   62    75    56    57   1.05000 -1.0 2.0
   64    62    75    72   3.62500 -1.0 2.0
   64    62    75    56   3.62500 -1.0 2.0
   64    68   -69    72   3.62500 -1.0 2.0
   64    68    69    73   3.62500 -1.0 2.0
   64    68    70    71   0.84100 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    69    72    75   3.62500 -1.0 2.0
   68    69    72    76   3.62500 -1.0 2.0
   68    69    73    74   1.05000 -1.0 2.0
   68    69    73    80   0.98750 -1.0 2.0
   69    68    70    71   0.84100 -1.0 2.0
   69    72   -75    62   3.62500 -1.0 2.0
   69    72    75    56   3.62500 -1.0 2.0
   69    72    76    77   0.00000  1.0 1.0
   69    72    76    78   0.00000  1.0 1.0
   69    72    76    79   0.00000  1.0 1.0
   69    73    80    81   0.59950  1.0 1.0
   69    73    80    81   3.24850 -1.0 2.0
   72    69    73    74   1.05000 -1.0 2.0
   72    69    73    80   0.98750 -1.0 2.0
   72    75    56    54  -0.11500  1.0 1.0
   72    75    56    54   1.10450 -1.0 2.0
   72    75    56    54  -0.48050  1.0 3.0
   72    75    56    57   1.05000 -1.0 2.0
   75    62    64    65   3.62500 -1.0 2.0
   75    62   -64    68   3.62500 -1.0 2.0
   75    72    76    77   0.00000  1.0 1.0
   75    72    76    78   0.00000  1.0 1.0
   75    72    76    79   0.00000  1.0 1.0
   56    54   -55    58  -0.18600  1.0 3.0
   56    54    55    60   1.08500 -1.0 2.0
   76    72    75    62   3.62500 -1.0 2.0
   76    72    75    56   3.62500 -1.0 2.0
   73    69    72    75   3.62500 -1.0 2.0
   73    69    72    76   3.62500 -1.0 2.0
   73    80    81    82   0.08050  1.0 3.0
   73    80    81    83   0.08050  1.0 3.0
   73    80    81    84   0.08050  1.0 3.0
   74    73    80    81   3.00000 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    68    69    73   3.62500 -1.0 2.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    62   7.00000 -1.0 2.0
   60    63    39    33  -0.95700  1.0 1.0
   60    63    39    33  -0.18200 -1.0 2.0
   60    63    39    33   0.29450  1.0 3.0
   60    63    39    40  -0.09450  1.0 1.0
   60    63    39    40  -1.12950 -1.0 2.0
   60    63    39    40   0.54000  1.0 3.0
   60    63    39    41  -0.11250  1.0 3.0
   60    63    66    67   0.91850  1.0 1.0
   60    63    66    67   0.57950  1.0 3.0
   61    60    63    49   0.30150 -1.0 2.0
   61    60    63    39   0.30150 -1.0 2.0
   61    60    63    66   0.30150 -1.0 2.0
   63    49    50    51   0.09700  1.0 1.0
   63    49    50    51   0.15600 -1.0 2.0
   63    49    50    51  -0.50800  1.0 3.0
   63    49   -50    54   0.09850  1.0 1.0
   63    49   -50    54   0.15250 -1.0 2.0
   63    49   -50    54  -0.50650  1.0 3.0
   63    49    52    53  -0.11600  1.0 1.0
   63    49    52    53  -0.09450 -1.0 2.0
   63    49    52    53   0.21250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    43   0.09850  1.0 1.0
   39    33   -37    43   0.15250 -1.0 2.0
   39    33   -37    43  -0.50650  1.0 3.0
   39    33    42    45   0.06250  1.0 1.0
   39    33    42    45  -0.01100 -1.0 2.0
   39    33    42    45   0.28050  1.0 3.0
   39    63    66    67  -0.11600  1.0 1.0
   39    63    66    67  -0.09450 -1.0 2.0
   39    63    66    67   0.21250  1.0 3.0
   66    63    39    33   0.86500  1.0 1.0
   66    63    39    33  -0.17500 -1.0 2.0
   66    63    39    33   0.20800  1.0 3.0
   66    63    39    40   3.69350  1.0 1.0
   66    63    39    40  -1.82950 -1.0 2.0
   66    63    39    41   0.23400  1.0 3.0
   52    49    50    51   0.09700  1.0 1.0
   52    49    50    51   0.15600 -1.0 2.0
   52    49    50    51  -0.50800  1.0 3.0
   52    49    50    54   0.67800  1.0 1.0
   52    49    50    54   0.47050 -1.0 2.0
   52    49    50    54  -0.62500  1.0 3.0
   52    49    63    60  -0.09450  1.0 1.0
   52    49    63    60  -1.12950 -1.0 2.0
   52    49    63    60   0.54000  1.0 3.0
   52    49    63    39   0.86500  1.0 1.0
   52    49    63    39  -0.17500 -1.0 2.0
   52    49    63    39   0.20800  1.0 3.0
   52    49    63    66   3.75450  1.0 1.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    63   0.62750  1.0 1.0
   42    33    39    63  -0.30950 -1.0 2.0
   42    33    39    63   0.27300  1.0 3.0
   42    33    39    40   1.11900  1.0 1.0
   42    33    39    40  -1.16350 -1.0 2.0
   42    33    39    40  -0.34150  1.0 3.0
   42    33    39    41   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   49    44    43    37   1.10000 -1.0 2.0
   49    51    50    54   1.10000 -1.0 2.0
   55    56    54    50   1.10000 -1.0 2.0
   54    60    55    58   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    75    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   69    70    68    64   4.00000 -1.0 2.0
   72    73    69    68   4.00000 -1.0 2.0
   75    76    72    69   4.00000 -1.0 2.0
   72    56    75    62   4.00000 -1.0 2.0
   54    75    56    57  10.50000 -1.0 2.0
   69    80    73    74  10.50000 -1.0 2.0
   55    63    60    61  10.50000 -1.0 2.0
END
