* LIGAND DATABASE FILE (OPLS2005)
*
001      85    89    153    247     445
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02141    50.16437  -125.42868
    3     1 S   H    _H1_     3     1.02045   106.14679   -24.32093
    4     1 S   H    _H2_     4     1.02064    62.12340    78.65579
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C27    36     1.84386   100.85195   159.95405
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C28    37     1.53323   107.97232    60.03876
   38    37 S   HC   _H15    38     1.09456   112.70352   -61.91502
   39    37 S   HC   _H16    39     1.09775   109.84055    56.13563
   40    37 S   HC   _H17    40     1.09622   112.04333   174.05578
   41    33 S   OH   _O41    41     1.43201   110.87159   173.96610
   42    41 S   HO   _H18    42     0.97105   106.84676   -56.08010
   43    33 S   OS   _O40    43     1.44171   113.32197   -56.75697
   44    43 S   CA   _C14    44     1.36090   122.12954   -91.89850
   45    44 S   CA   _C15    45     1.39091   120.07140    29.96864
   46    45 S   HA   _H10    46     1.08618   120.41436    -0.06256
   47    45 S   CA   _C16    47     1.39629   120.03675  -179.82754
   48    47 S   HA   _H11    48     1.08689   118.50674   179.44468
   49    47 S   CA   _C17    49     1.40662   120.88585    -0.18975
   50    49 S   CA   _C12    50     1.39973   118.31020    -0.12033
   51    49 S   CT   _C18    63     1.51565   121.69434   178.36805
   52    44 S   CA   _C13    51     1.39213   120.08805  -150.01653
   53    52 S   HA   _H9_    52     1.08781   119.83981    -0.16432
   54    50 S   OS   _O35    53     1.37340   123.53212  -179.70261
   55    51 S   CA   _C19    64     1.49486   112.94536   -62.14281
   56    51 S   OS   _O37    75     1.46255   108.14436    49.46336
   57    54 S   CA   _C10    54     1.37342   118.51931    10.40804
   58    55 S   CA   _C20    65     1.38634   130.00776   -64.39035
   59    58 S   HA   _H12    66     1.08485   121.22826    -0.03956
   60    57 S   CA   _C11    55     1.39924   115.67177   169.69218
   61    60 S   HA   _H8_    56     1.08709   120.05593     0.17471
   62    58 S   CA   _C21    67     1.39757   118.38458  -180.00000
   63    62 S   HA   _H13    68     1.08770   119.10447  -179.97202
   64    60 S   CA   _C6_    57     1.39241   120.13851  -179.62310
   65    62 S   CA   _C22    69     1.40479   120.70789    -0.04846
   66    64 S   CA   _C7_    58     1.39174   119.82180    -0.11703
   67    66 S   HA   _H6_    59     1.08728   120.36503  -179.94405
   68    65 S   CA   _C23    70     1.39516   120.54785     0.05234
   69    68 S   HA   _H14    71     1.08489   121.27592   179.95577
   70    65 S   CO3  _C26    76     1.47219   119.62524  -180.00000
   71    70 S   O2Z  _O39    77     1.28810   118.71718  -179.97202
   72    70 S   O2Z  _O38    78     1.28766   118.80382     0.00000
   73    64 S   OS   _O34    79     1.36064   120.10707   179.88465
   74    66 S   CA   _C8_    60     1.39608   120.04002    -0.19683
   75    74 S   HA   _H7_    61     1.08662   118.47154  -179.47735
   76    55 S   CA   _C24    72     1.38315   109.83543   115.59939
   77    73 S   CO4  _C5_    80     1.40452   114.14830    90.00058
   78    77 S   O    _O33    81     1.22399   125.73468    -0.08847
   79    57 S   CA   _C9_    62     1.39946   123.55199   -10.37771
   80    76 S   CO4  _C25    73     1.45544   109.11909    -0.00000
   81    80 S   O    _O36    74     1.21428   126.81930   179.97202
   82    77 S   CT   _C4_    82     1.50015   110.04446  -180.00000
   83    82 S   HC   _H3_    83     1.09230   109.88241   -90.12207
   84    82 S   HC   _H4_    84     1.09388   109.29416   150.83715
   85    82 S   HC   _H5_    85     1.09253   109.79866    31.87762
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   9   3
  13   9  17   3   1   6  14   8   8   9   4   8   4   8   3   9
   7   6   4   7   3   3   1   1   7   2   1   3   5   4   1   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    52    53  
   45    46    47    48    49    50    52    53    54  
   46    47    48    49    50    52    53    51  
   47    48    49    52  
   48    49    50    52    54    79    51    55    56  
   49    50    51  
   50    52    53    54    57    74    79    51    55    58    76    80    56  
   52    53    54    57    60    79    51    55    56  
   55    58    59    62    68    76    80    81    56    52    54    57    60    66    74    75    79  
   53    54    57  
   54  
   57    60    61    64    74    79  
   58    59    62    63    65    68    69    76    80    81    56    57    74    79  
   57    58    68    74    76    79    80    81  
   60    61    64    66    74    75    79    73  
   59    62    63    65    68    76    80    70    79  
   62    63    65    76  
   61    64    66    67    74    79    73    77  
   64    66    79    73  
   63    65    68    69    76    70    71    72  
   65    68    70  
   66    67    74    75    79    73    77    78    82  
   68    69    76    80    70    71    72  
   67    74    75    79    73    77  
   74    75    79    73  
   69    76    80    81    70    71    72  
   76    80    70  
   71    72    76  
   72  
    0  
   77    78    82    83    84    85    74  
   75    79  
   79  
   80    81    79  
   78    82    83    84    85  
   82    83    84    85  
   80  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   0.372200   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   80   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   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    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   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    52   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    51   317.000  1.510
   50    52   469.000  1.400
   50    54   450.000  1.364
   52    53   367.000  1.080
   54    57   450.000  1.364
   57    60   469.000  1.400
   57    79   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    66   469.000  1.400
   64    73   450.000  1.364
   66    67   367.000  1.080
   66    74   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    51   317.000  1.510
   51    55   317.000  1.510
   51    56   320.000  1.410
   55    58   469.000  1.400
   55    76   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   469.000  1.400
   65    70   400.000  1.490
   68    69   367.000  1.080
   68    76   469.000  1.400
   76    80   310.000  1.470
   80    81   570.000  1.229
   80    56   214.000  1.327
   70    71   656.000  1.250
   70    72   656.000  1.250
   73    77   214.000  1.327
   77    78   570.000  1.229
   77    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    52    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    52    50    63.00000  120.00000
   44    52    53    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    51    70.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    50    54    70.00000  120.00000
   49    51    79    70.00000  112.04700
   49    51    55    70.00000  112.04700
   49    51    56    85.00000  111.85700
   50    52    53    35.00000  120.00000
   50    54    57    85.00000  114.70000
   52    44    45    63.00000  120.00000
   54    50    52    70.00000  120.00000
   54    57    60    70.00000  120.00000
   54    57    79    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    64    63.00000  120.00000
   57    79    74    63.00000  120.00000
   57    79    51    70.00000  120.00000
   60    64    66    63.00000  120.00000
   60    64    73    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    74    63.00000  120.00000
   64    73    77    85.00000  115.98000
   66    74    75    35.00000  120.00000
   66    74    79    63.00000  120.00000
   74    66    67    35.00000  120.00000
   74    79    51    70.00000  120.00000
   79    57    60    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    51    55    70.00000  112.04700
   79    51    56    85.00000  111.85700
   51    49    50    70.00000  120.00000
   51    55    58    70.00000  120.00000
   51    55    76    70.00000  120.00000
   51    56    80    83.00000  116.90000
   55    58    59    35.00000  120.00000
   55    58    62    63.00000  120.00000
   55    76    68    63.00000  120.00000
   55    76    80    60.00000  119.52600
   58    62    63    35.00000  120.00000
   58    62    65    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    65    70    85.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    76    63.00000  120.00000
   65    70    71    80.00000  120.40000
   65    70    72    80.00000  120.40000
   68    76    80    60.00000  119.52600
   76    55    58    63.00000  120.00000
   76    68    69    35.00000  120.00000
   76    80    81    75.00000  123.78400
   76    80    56    81.00000  111.40000
   56    51    55    85.00000  111.85700
   56    80    81    83.00000  123.40000
   70    65    68    85.00000  120.00000
   72    70    71    80.00000  126.00000
   73    64    66    70.00000  120.00000
   73    77    78    83.00000  123.40000
   73    77    82    81.00000  111.40000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   82    77    78    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    52   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  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    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    52    50   3.62500 -1.0 2.0
   43    44    52    53   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    52    50   3.62500 -1.0 2.0
   45    44    52    53   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    51   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    52   3.62500 -1.0 2.0
   47    49    50    54   3.62500 -1.0 2.0
   47    49    51    79   0.04300 -1.0 2.0
   47    49    51    55   0.04300 -1.0 2.0
   47    49    51    56   0.64500  1.0 1.0
   47    49    51    56   0.14800 -1.0 2.0
   47    49    51    56   0.20650  1.0 3.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    50   -52    44   3.62500 -1.0 2.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    54    57   0.47150 -1.0 2.0
   49    51    55    58   0.04300 -1.0 2.0
   49    51    55    76   0.04300 -1.0 2.0
   49    51    56    80  -0.43900 -1.0 2.0
   49    51    56    80   0.14100  1.0 3.0
   50    49    51    79   0.04300 -1.0 2.0
   50    49    51    55   0.04300 -1.0 2.0
   50    49    51    56   0.64500  1.0 1.0
   50    49    51    56   0.14800 -1.0 2.0
   50    49    51    56   0.20650  1.0 3.0
   50    54    57    60   0.47150 -1.0 2.0
   50    54   -57    79   0.47150 -1.0 2.0
   52    44    45    46   3.62500 -1.0 2.0
   52    44   -45    47   3.62500 -1.0 2.0
   52    50    54    57   0.47150 -1.0 2.0
   54    50    52    44   3.62500 -1.0 2.0
   54    50    52    53   3.62500 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57    60    64   3.62500 -1.0 2.0
   54    57    79    74   3.62500 -1.0 2.0
   54    57    79    51   3.62500 -1.0 2.0
   57    60    64    66   3.62500 -1.0 2.0
   57    60    64    73   3.62500 -1.0 2.0
   57    79   -51    49   0.04300 -1.0 2.0
   57    79    51    55   0.04300 -1.0 2.0
   57    79    51    56   0.64500  1.0 1.0
   57    79    51    56   0.14800 -1.0 2.0
   57    79    51    56   0.20650  1.0 3.0
   60    57    79    74   3.62500 -1.0 2.0
   60    57    79    51   3.62500 -1.0 2.0
   60    64    66    67   3.62500 -1.0 2.0
   60    64   -66    74   3.62500 -1.0 2.0
   60    64    73    77   0.01300  1.0 1.0
   60    64    73    77   0.97950 -1.0 2.0
   60    64    73    77  -0.55700  1.0 3.0
   61    60    64    66   3.62500 -1.0 2.0
   61    60    64    73   3.62500 -1.0 2.0
   64    66    74    75   3.62500 -1.0 2.0
   64    66    74    79   3.62500 -1.0 2.0
   64    73    77    78   3.00000 -1.0 2.0
   64    73    77    82   0.75600  1.0 1.0
   64    73    77    82   1.63000 -1.0 2.0
   66    64    73    77   0.01300  1.0 1.0
   66    64    73    77   0.97950 -1.0 2.0
   66    64    73    77  -0.55700  1.0 3.0
   66    74   -79    57   3.62500 -1.0 2.0
   66    74    79    51   3.62500 -1.0 2.0
   67    66    74    75   3.62500 -1.0 2.0
   67    66    74    79   3.62500 -1.0 2.0
   74    79    51    49   0.04300 -1.0 2.0
   74    79    51    55   0.04300 -1.0 2.0
   74    79    51    56   0.64500  1.0 1.0
   74    79    51    56   0.14800 -1.0 2.0
   74    79    51    56   0.20650  1.0 3.0
   75    74    79    57   3.62500 -1.0 2.0
   75    74    79    51   3.62500 -1.0 2.0
   79    57    60    61   3.62500 -1.0 2.0
   79    57   -60    64   3.62500 -1.0 2.0
   79    51    55    58   0.04300 -1.0 2.0
   79    51    55    76   0.04300 -1.0 2.0
   79    51    56    80  -0.43900 -1.0 2.0
   79    51    56    80   0.14100  1.0 3.0
   51    49    50    52   3.62500 -1.0 2.0
   51    49   -50    54   3.62500 -1.0 2.0
   51    55    58    59   3.62500 -1.0 2.0
   51    55    58    62   3.62500 -1.0 2.0
   51    55    76    68   3.62500 -1.0 2.0
   51    55   -76    80   3.62500 -1.0 2.0
   55    51   -56    80  -0.43900 -1.0 2.0
   55    51   -56    80   0.14100  1.0 3.0
   55    58    62    63   3.62500 -1.0 2.0
   55    58    62    65   3.62500 -1.0 2.0
   55    76    80    81   1.05000 -1.0 2.0
   55    76   -80    56   0.98750 -1.0 2.0
   58    55    76    68   3.62500 -1.0 2.0
   58    55    76    80   3.62500 -1.0 2.0
   58    62   -65    68   3.62500 -1.0 2.0
   58    62    65    70   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    65   3.62500 -1.0 2.0
   62    65    68    69   3.62500 -1.0 2.0
   62    65    68    76   3.62500 -1.0 2.0
   62    65    70    71   1.05000 -1.0 2.0
   62    65    70    72   1.05000 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   63    62    65    70   3.62500 -1.0 2.0
   65    68   -76    55   3.62500 -1.0 2.0
   65    68    76    80   3.62500 -1.0 2.0
   68    65    70    71   1.05000 -1.0 2.0
   68    65    70    72   1.05000 -1.0 2.0
   68    76    80    81   1.05000 -1.0 2.0
   68    76    80    56   0.98750 -1.0 2.0
   69    68    76    55   3.62500 -1.0 2.0
   69    68    76    80   3.62500 -1.0 2.0
   76    55    58    59   3.62500 -1.0 2.0
   76    55   -58    62   3.62500 -1.0 2.0
   76    80   -56    51   0.59950  1.0 1.0
   76    80   -56    51   3.24850 -1.0 2.0
   81    80    56    51   3.00000 -1.0 2.0
   56    51    55    58   0.64500  1.0 1.0
   56    51    55    58   0.14800 -1.0 2.0
   56    51    55    58   0.20650  1.0 3.0
   56    51   -55    76   0.64500  1.0 1.0
   56    51   -55    76   0.14800 -1.0 2.0
   56    51   -55    76   0.20650  1.0 3.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    76   3.62500 -1.0 2.0
   73    64    66    67   3.62500 -1.0 2.0
   73    64    66    74   3.62500 -1.0 2.0
   73    77    82    83   0.00000  1.0 1.0
   73    77    82    84   0.00000  1.0 1.0
   73    77    82    85   0.00000  1.0 1.0
   78    77    82    83   0.00000  1.0 1.0
   78    77    82    84   0.00000  1.0 1.0
   78    77    82    85   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    52    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    51    49    47   4.00000 -1.0 2.0
   52    54    50    49   4.00000 -1.0 2.0
   50    53    52    44   1.10000 -1.0 2.0
   60    79    57    54   4.00000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   66    73    64    60   4.00000 -1.0 2.0
   74    67    66    64   1.10000 -1.0 2.0
   79    75    74    66   1.10000 -1.0 2.0
   74    51    79    57   4.00000 -1.0 2.0
   58    76    55    51   4.00000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   65    63    62    58   1.10000 -1.0 2.0
   68    70    65    62   4.00000 -1.0 2.0
   76    69    68    65   1.10000 -1.0 2.0
   68    80    76    55   4.00000 -1.0 2.0
   76    56    80    81  10.50000 -1.0 2.0
   71    65    70    72  10.50000 -1.0 2.0
   73    82    77    78  10.50000 -1.0 2.0
END
