* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    161    247     466
    1     0 S   NP   _N1_     1    30.33572    89.95004   -26.16116
    2     1 S   H    _HN1     2     1.02787   120.35789  -101.20279
    3     1 S   H    _H1_     3     1.02940   101.09821    18.02760
    4     1 S   H    _H2_     4     1.02839    12.52505  -101.66176
    5     1 S   CT   _CA1     5     1.50112   103.60942   132.48413
    6     5 S   HC   _HA1     6     1.09563   105.24518    69.92024
    7     5 S   CO3  _C1_     7     1.53778   112.37098   -50.51925
    8     7 S   O2Z  _O11     8     1.26384   114.95534   -44.26118
    9     7 S   O2Z  _O12     9     1.26223   114.94994   134.90071
   10     5 S   CT   _CB1    10     1.53043   107.45629  -171.94914
   11    10 S   HC   HB11    11     1.09827   109.50137   -48.62931
   12    10 S   HC   HB12    12     1.09781   110.37070    68.06057
   13    10 S   CT   _CG1    13     1.52990   112.61623  -169.64708
   14    13 S   HC   HG11    14     1.09580   110.65397   -64.38237
   15    13 S   HC   HG12    15     1.09659   109.81550    54.90419
   16    13 S   C    _CD1    16     1.51781   112.07828   175.41435
   17    16 S   O    _OE1    17     1.22750   123.14435     7.19879
   18    16 S   N    _N2_    18     1.38684   111.71391  -173.03773
   19    18 S   H    _HN2    19     1.01565   119.08154     1.67748
   20    18 S   CT1  _CA2    20     1.46265   123.32513   178.98355
   21    20 S   HC   _HA2    21     1.09757   109.18714     1.49449
   22    20 S   C    _C2_    22     1.53491   108.64982  -113.92038
   23    22 S   O    _O2_    23     1.23046   122.36883  -148.02543
   24    20 S   CT   _CB2    32     1.53535   111.91408   123.20626
   25    24 S   HC   HB21    33     1.09517   110.10017    59.65214
   26    24 S   HC   HB22    34     1.09281   109.40383   178.30027
   27    22 S   N    _N3_    24     1.38354   113.62395    39.41593
   28    27 S   H    _HN3    25     1.01588   119.54662    -3.39211
   29    24 S   S    _SG2    35     1.82669   110.71944   -60.71045
   30    27 S   CT   _CA3    26     1.45280   123.22544   177.09249
   31    30 S   HC   HA31    27     1.09549   107.51825   -64.35478
   32    30 S   HC   HA32    28     1.09556   107.97762    52.08424
   33    29 S   CT   _C16    36     1.88583   101.86803  -168.54587
   34    30 S   CO3  _C3_    29     1.52958   114.07121   174.07229
   35    34 S   O2Z  _O31    30     1.26378   116.06916    -0.73860
   36    34 S   O2Z  _O32    31     1.26425   114.41767   179.32074
   37    33 S   CT   _C15    37     1.53935   107.24936    73.83896
   38    37 S   HC   _H8_    38     1.09614   111.41207   -59.98985
   39    37 S   HC   _H9_    39     1.09709   111.40142  -175.16839
   40    33 S   CT   _C17    78     1.58924   110.29729  -166.69569
   41    40 S   OM   _O38    79     1.33343   109.18339   173.95668
   42    40 S   HC   _H3_    80     1.10062   105.11540    49.88513
   43    33 S   OS   _O39    83     1.44772   109.74658   -40.87592
   44    37 S   CO4  _C14    40     1.51985   112.39309    62.44077
   45    44 S   O    _O35    41     1.23597   118.41916  -125.40906
   46    43 S   CT   _C20    84     1.42200   116.77437   -71.19642
   47    46 S   HC   _H11    85     1.09392   107.67875   170.69821
   48    46 S   HC   _H12    86     1.09269   112.18264    52.08372
   49    46 S   HC   _H13    87     1.09238   111.39822   -71.67885
   50    44 S   CT   _C13    42     1.55778   118.20287    55.72730
   51    50 S   OM   _O40    43     1.33304   103.68054    71.63906
   52    50 S   CMA  _C12    44     1.59375   108.45350  -169.55179
   53    52 S   OM   _O34    45     1.27181   114.53511   -85.03595
   54    52 S   CM   _C10    46     1.35750   116.85280    90.06957
   55    54 S   CM   _C9_    47     1.43962   123.38793     3.91236
   56    54 S   CO4  _C11    57     1.50910   120.70367  -174.23031
   57    56 S   O    _O33    58     1.22396   123.17777   -38.49670
   58    55 S   CM   _C8_    48     1.34122   121.78179  -156.57422
   59    58 S   HC   _H7_    49     1.08589   121.86903  -179.86294
   60    55 S   CO4  _C19    75     1.48244   119.94670    25.89450
   61    60 S   O    _O36    76     1.23425   119.63627   153.64159
   62    58 S   CA   _C7_    50     1.46768   120.41131     1.41222
   63    50 S   CT   _C18    77     1.59072   109.57858   -43.80213
   64    62 S   CA   _C21    51     1.40192   118.86728   168.62856
   65    64 S   HA   _H14    52     1.08669   118.48925    -0.76310
   66    63 S   OH   _O37    81     1.45623   109.48170   163.04302
   67    66 S   HO   _H10    82     0.97476   104.07166   -56.85609
   68    64 S   CA   _C22    53     1.39468   120.60061   178.75086
   69    68 S   CA   _C23    54     1.40632   118.75844     0.16551
   70    68 S   OS   _O43    70     1.37165   124.62107  -178.87204
   71    69 S   CA   _C5_    55     1.41363   122.20206     1.43668
   72    69 S   CO4  _C24    63     1.47316   117.54143  -179.41751
   73    72 S   O    _O41    64     1.21828   124.02073   -74.02203
   74    70 S   CT   _C26    71     1.42217   117.30135    -8.45099
   75    74 S   HC   _H18    72     1.09426   107.76161  -175.74182
   76    74 S   HC   _H19    73     1.09482   111.08866    66.62394
   77    74 S   HC   _H20    74     1.09491   111.20808   -58.00694
   78    62 S   CA   _C6_    56     1.40937   120.93778   -12.52939
   79    71 S   CT   _C4_    59     1.50754   120.68818   177.15655
   80    79 S   HC   _H4_    60     1.09498   110.78398  -136.83662
   81    79 S   HC   _H5_    61     1.09399   112.58929   -19.36444
   82    79 S   HC   _H6_    62     1.09428   110.16446   101.36335
   83    72 S   OS   _O42    65     1.35620   107.43339   105.05032
   84    83 S   CT   _C25    66     1.42988   114.82244  -179.48376
   85    84 S   HC   _H15    67     1.09326   108.12737  -179.78971
   86    84 S   HC   _H16    68     1.09428   110.29347    61.48838
   87    84 S   HC   _H17    69     1.09431   110.29335   -61.08316
  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  11   5   4   3
  17   2   1   1  13   6   5  14   6   5   6   9   4   3   2   1
   1  11   6  10   4  11  11   9   3  10   4   5   2   8   2   8
   4   1   1  12  12   6   8   8   2   3   2   1   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    63    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    60    63    40    41    42    66    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    52    63    40    41    42    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    66    67    43    46    44    50    51    52    55    60    61    63  
   42    66    43    50    60    63  
   66    43    50    60    63  
   46    47    48    49    44    63  
   45    50    51    52    53    54    60    63    66  
   50    51    52    63  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    60    61    63    66    67  
   52    53    54    60    63    66  
   53    54    55    58    78    56    57    60    63    66  
   54    55    56    63  
   55    58    59    62    71    78    56    57    60    61    63  
   58    59    62    64    78    56    57    60    61    63    66  
   57    79    60    58    62    64    69    71    78  
   62    71    78  
   59    62    64    65    68    71    78    60    61    63  
   62    64    78    60  
   61    63    66    67    62  
   63    66  
   64    65    68    69    71    78    79    70  
   66    67  
   65    68    69    71    78    72    70    74  
   68    69    78    70  
   67  
    0  
   69    71    78    79    72    73    83    70    74    75    76    77  
   71    78    79    80    81    82    72    73    83    84    70    74  
   74    75    76    77    71    72  
   78    79    80    81    82    72    73    83  
   73    83    84    85    86    87    78    79  
   83    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   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   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   570.000  1.307
   50    52   270.000  1.512
   50    63   268.000  1.529
   52    53   745.000  1.250
   52    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    78   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    71   469.000  1.400
   69    72   310.000  1.470
   71    78   469.000  1.400
   71    79   317.000  1.510
   78    56   310.000  1.470
   56    57   570.000  1.229
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    73   570.000  1.229
   72    83   214.000  1.327
   83    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   60    61   570.000  1.229
   60    63   317.000  1.522
   63    40   268.000  1.529
   63    66   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   66    67   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    63    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    90.00000  108.74100
   44    50    52    70.00000  109.06800
   44    50    63    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    52    53    85.00000  112.85300
   50    52    54    65.00000  122.18000
   50    63    60    63.00000  111.10000
   50    63    40    58.35000  112.70000
   50    63    66    50.00000  109.50000
   52    50    51    85.00000  110.90400
   52    54    55    70.00000  117.34000
   52    54    56    60.00000  125.92000
   54    52    53    65.00000  137.10300
   54    55    58    70.00000  123.01800
   54    55    60    65.00000  118.96000
   54    56    78    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    78    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    78    71    63.00000  120.00000
   62    78    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    71    63.00000  120.00000
   68    69    72    60.00000  119.52600
   68    70    74    75.00000  111.00000
   69    71    78    63.00000  120.00000
   69    71    79    70.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    83    81.00000  111.40000
   71    78    56    60.00000  119.52600
   71    79    80    35.00000  109.50000
   71    79    81    35.00000  109.50000
   71    79    82    35.00000  109.50000
   78    62    64    63.00000  120.00000
   78    56    57    75.00000  123.78400
   56    54    55    65.00000  118.96000
   79    71    78    70.00000  120.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    69    71    60.00000  119.52600
   72    83    84    83.00000  116.90000
   83    72    73    83.00000  123.40000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    68    69    70.00000  120.00000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   60    55    58    65.00000  118.96000
   60    63    40    63.00000  111.10000
   60    63    66    90.00000  109.61100
   63    50    51    50.00000  109.50000
   63    50    52    70.00000  112.02700
   63    60    61    80.00000  120.40000
   63    40    41    50.00000  109.50000
   63    40    42    37.50000  110.70000
   63    66    67    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   66    63    40    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    63   0.56750  1.0 1.0
   37    33    40    63  -0.07550 -1.0 2.0
   37    33    40    63   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.55300  1.0 1.0
   37    44    50    51   1.25850 -1.0 2.0
   37    44    50    51  -0.23600  1.0 3.0
   37    44    50    52   0.65300  1.0 1.0
   37    44    50    52  -0.03850 -1.0 2.0
   37    44    50    52   0.33900  1.0 3.0
   37    44   -50    63   0.60050  1.0 1.0
   37    44   -50    63   0.05600 -1.0 2.0
   37    44   -50    63   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    52    53   0.09700  1.0 1.0
   44    50    52    53   0.15600 -1.0 2.0
   44    50    52    53  -0.50800  1.0 3.0
   44    50    52    54  -0.51250  1.0 1.0
   44    50    52    54  -0.88800 -1.0 2.0
   44    50    52    54   0.08850  1.0 3.0
   44    50    63    60   0.11950  1.0 1.0
   44    50    63    60   0.20300 -1.0 2.0
   44    50    63    60  -0.70800  1.0 3.0
   44    50    63    40  -0.95700  1.0 1.0
   44    50    63    40  -0.18200 -1.0 2.0
   44    50    63    40   0.29450  1.0 3.0
   44    50    63    66  -0.09450  1.0 1.0
   44    50    63    66  -1.12950 -1.0 2.0
   44    50    63    66   0.54000  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    52   0.30150 -1.0 2.0
   45    44    50    63   0.30150 -1.0 2.0
   50    52    54    55   7.00000 -1.0 2.0
   50    52    54    56   7.00000 -1.0 2.0
   50    63   -40    33   0.56750  1.0 1.0
   50    63   -40    33  -0.07550 -1.0 2.0
   50    63   -40    33   0.20000  1.0 3.0
   50    63    40    41   0.62750  1.0 1.0
   50    63    40    41  -0.30950 -1.0 2.0
   50    63    40    41   0.27300  1.0 3.0
   50    63    40    42   0.15000  1.0 3.0
   50    63    66    67  -0.11600  1.0 1.0
   50    63    66    67  -0.09450 -1.0 2.0
   50    63    66    67   0.21250  1.0 3.0
   51    50    52    53   0.09700  1.0 1.0
   51    50    52    53   0.15600 -1.0 2.0
   51    50    52    53  -0.50800  1.0 3.0
   51    50    52    54   0.39000  1.0 1.0
   51    50    52    54  -0.05800 -1.0 2.0
   51    50    52    54  -0.55150  1.0 3.0
   51    50    63    60  -0.09450  1.0 1.0
   51    50    63    60  -1.12950 -1.0 2.0
   51    50    63    60   0.54000  1.0 3.0
   51    50    63    40   0.62750  1.0 1.0
   51    50    63    40  -0.30950 -1.0 2.0
   51    50    63    40   0.27300  1.0 3.0
   51    50    63    66   3.69350  1.0 1.0
   51    50    63    66  -1.82950 -1.0 2.0
   52    50    63    60  -0.98800  1.0 1.0
   52    50    63    60   0.48800 -1.0 2.0
   52    50    63    60   0.76800  1.0 3.0
   52    50    63    40   0.34400  1.0 1.0
   52    50    63    40   0.09450 -1.0 2.0
   52    50    63    40   0.11100  1.0 3.0
   52    50    63    66   1.05650  1.0 1.0
   52    50    63    66   0.15600 -1.0 2.0
   52    50    63    66   0.53150  1.0 3.0
   52    54    55    58   0.28850  1.0 1.0
   52    54    55    58   2.61350 -1.0 2.0
   52    54    55    58   0.78400  1.0 3.0
   52    54   -55    60  -0.18600  1.0 3.0
   52    54    56    78  -1.65800  1.0 1.0
   52    54    56    78   0.77650 -1.0 2.0
   52    54    56    57   1.00000 -1.0 2.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    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    78  -1.65800  1.0 1.0
   55    54    56    78   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    78   0.15800  1.0 1.0
   55    58   -62    78   1.85350 -1.0 2.0
   55    58   -62    78  -0.48700  1.0 3.0
   55    60   -63    50   0.65300  1.0 1.0
   55    60   -63    50  -0.03850 -1.0 2.0
   55    60   -63    50   0.33900  1.0 3.0
   55    60    63    40   0.65300  1.0 1.0
   55    60    63    40  -0.03850 -1.0 2.0
   55    60    63    40   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    78    71   3.62500 -1.0 2.0
   58    62    78    56   3.62500 -1.0 2.0
   59    58    62    64   0.56550  1.0 3.0
   59    58    62    78   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    78   -56    54  -0.11500  1.0 1.0
   62    78   -56    54   1.10450 -1.0 2.0
   62    78   -56    54  -0.48050  1.0 3.0
   62    78    56    57   1.05000 -1.0 2.0
   64    62    78    71   3.62500 -1.0 2.0
   64    62    78    56   3.62500 -1.0 2.0
   64    68   -69    71   3.62500 -1.0 2.0
   64    68    69    72   3.62500 -1.0 2.0
   64    68    70    74   1.63200 -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    71    78   3.62500 -1.0 2.0
   68    69    71    79   3.62500 -1.0 2.0
   68    69    72    73   1.05000 -1.0 2.0
   68    69    72    83   0.98750 -1.0 2.0
   68    70    74    75   0.08050  1.0 3.0
   68    70    74    76   0.08050  1.0 3.0
   68    70    74    77   0.08050  1.0 3.0
   69    68    70    74   1.63200 -1.0 2.0
   69    71   -78    62   3.62500 -1.0 2.0
   69    71    78    56   3.62500 -1.0 2.0
   69    71    79    80   0.00000  1.0 1.0
   69    71    79    81   0.00000  1.0 1.0
   69    71    79    82   0.00000  1.0 1.0
   69    72    83    84   0.59950  1.0 1.0
   69    72    83    84   3.24850 -1.0 2.0
   71    69    72    73   1.05000 -1.0 2.0
   71    69    72    83   0.98750 -1.0 2.0
   71    78    56    54  -0.11500  1.0 1.0
   71    78    56    54   1.10450 -1.0 2.0
   71    78    56    54  -0.48050  1.0 3.0
   71    78    56    57   1.05000 -1.0 2.0
   78    62    64    65   3.62500 -1.0 2.0
   78    62   -64    68   3.62500 -1.0 2.0
   78    71    79    80   0.00000  1.0 1.0
   78    71    79    81   0.00000  1.0 1.0
   78    71    79    82   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
   79    71    78    62   3.62500 -1.0 2.0
   79    71    78    56   3.62500 -1.0 2.0
   72    69    71    78   3.62500 -1.0 2.0
   72    69    71    79   3.62500 -1.0 2.0
   72    83    84    85   0.08050  1.0 3.0
   72    83    84    86   0.08050  1.0 3.0
   72    83    84    87   0.08050  1.0 3.0
   73    72    83    84   3.00000 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   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    40    33  -0.95700  1.0 1.0
   60    63    40    33  -0.18200 -1.0 2.0
   60    63    40    33   0.29450  1.0 3.0
   60    63    40    41  -0.09450  1.0 1.0
   60    63    40    41  -1.12950 -1.0 2.0
   60    63    40    41   0.54000  1.0 3.0
   60    63    40    42  -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    50   0.30150 -1.0 2.0
   61    60    63    40   0.30150 -1.0 2.0
   61    60    63    66   0.30150 -1.0 2.0
   63    50    52    53   0.09700  1.0 1.0
   63    50    52    53   0.15600 -1.0 2.0
   63    50    52    53  -0.50800  1.0 3.0
   63    50   -52    54   0.09850  1.0 1.0
   63    50   -52    54   0.15250 -1.0 2.0
   63    50   -52    54  -0.50650  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    63    66    67  -0.11600  1.0 1.0
   40    63    66    67  -0.09450 -1.0 2.0
   40    63    66    67   0.21250  1.0 3.0
   66    63    40    33   0.86500  1.0 1.0
   66    63    40    33  -0.17500 -1.0 2.0
   66    63    40    33   0.20800  1.0 3.0
   66    63    40    41   3.69350  1.0 1.0
   66    63    40    41  -1.82950 -1.0 2.0
   66    63    40    42   0.23400  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    63   0.62750  1.0 1.0
   43    33    40    63  -0.30950 -1.0 2.0
   43    33    40    63   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   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
   37    50    44    45  10.50000 -1.0 2.0
   50    53    52    54   1.10000 -1.0 2.0
   55    56    54    52   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    78    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
   71    72    69    68   4.00000 -1.0 2.0
   78    79    71    69   4.00000 -1.0 2.0
   71    56    78    62   4.00000 -1.0 2.0
   54    78    56    57  10.50000 -1.0 2.0
   69    83    72    73  10.50000 -1.0 2.0
   55    63    60    61  10.50000 -1.0 2.0
END
