* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    242     453
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02131    53.97902  -119.10235
    3     1 S   H    _H1_     3     1.02131   106.60910   -17.81376
    4     1 S   H    _H2_     4     1.02124    58.11317    84.22040
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C21    36     1.80462    98.72427   161.82740
   34    33 S   HC   _H3_    37     1.08978   109.59131   -59.73999
   35    33 S   HC   _H4_    38     1.09059   109.75625    59.43607
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C4_    39     1.49585   109.75064   179.98022
   40    39 S   CMA  _C5_    40     1.34866   127.95454   -89.70147
   41    40 S   OM   _O20    41     1.26364   128.06460    -1.40639
   42    40 S   OS   _O22    42     1.41930   109.80875   179.72305
   43    42 S   CT   _C19    43     1.44214   107.62964   -11.13880
   44    43 S   HC   _H41    44     1.09838   105.75827   -97.62524
   45    39 S   CT   _C15    45     1.49518   119.76089    88.87255
   46    45 S   HC   _H37    46     1.09958   108.73207   -58.60241
   47    43 S   CT   _C17    61     1.54146   110.22836   144.57406
   48    47 S   HC   _H39    62     1.09646   108.92907  -175.57119
   49    45 S   CT   _C20    47     1.53950   115.34777    60.99332
   50    49 S   HC   _H42    48     1.09803   108.27363   -60.41524
   51    49 S   CT   _C13    49     1.53510   117.95819    60.65954
   52    51 S   HC   _H33    50     1.09777   106.98574   -90.62309
   53    51 S   HC   _H34    51     1.09820   109.29125   155.13023
   54    49 S   OS   _O25    71     1.42965   110.25254  -173.92953
   55    51 S   CM   _C6_    52     1.51311   117.51692    32.24013
   56    54 S   CO4  _C12    72     1.36205   115.75411    86.04756
   57    56 S   O    _O21    73     1.22235   125.75899    -0.03426
   58    55 S   CT   _C16    53     1.51854   117.46710    51.23478
   59    58 S   HC   _H38    54     1.10131   105.84101    60.66629
   60    55 S   CM   _C8_    68     1.34638   118.53120  -130.70873
   61    60 S   HC   _H27    69     1.07772   120.20335   179.97202
   62    60 S   HC   _H28    70     1.07797   120.19934     0.01978
   63    56 S   CM   _C11    74     1.49058   109.73785  -179.90309
   64    58 S   CT   _C14    55     1.54557   115.93160   178.64940
   65    64 S   HC   _H35    56     1.09583   110.92157   -72.13923
   66    64 S   HC   _H36    57     1.09699   111.33906    49.08602
   67    63 S   CM   _C10    75     1.34128   116.93185  -150.14428
   68    67 S   HC   _H31    76     1.08563   120.84840  -179.54630
   69    67 S   HC   _H32    77     1.08502   122.67330     0.52377
   70    63 S   CT   _C22    78     1.50033   120.95900    30.91849
   71    70 S   HC   _H45    79     1.09518   111.65631   -61.04467
   72    70 S   HC   _H46    80     1.09441   110.82879   178.80827
   73    64 S   CT   _C18    58     1.51845   104.50425   166.80577
   74    73 S   HC   _H40    59     1.09403   112.28140  -160.71732
   75    70 S   OH   _O24    81     1.42134   109.44694    58.38492
   76    75 S   HO   _H48    82     0.97037   106.79353  -180.00000
   77    73 S   CM   _C7_    60     1.49893   101.74956   -38.88441
   78    73 S   OH   _O23    66     1.42109   110.43275    76.90218
   79    78 S   HO   _H47    67     0.97147   106.74104    68.97270
   80    77 S   CM   _C9_    63     1.33906   123.05060  -150.93405
   81    80 S   HC   _H29    64     1.08166   120.50394    -2.72592
   82    80 S   HC   _H30    65     1.08146   120.56243   177.28899
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  16   7  13   5  17   7
  11   6  11   5   4   6  10   9   3  12   6   3   1   1   8   8
   5   4   6   2   1   4   3   2   7   4   1   1   5   2   1   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    47    54  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    58    77    47    48  
   44    45    46    49    50    51    55    58    59    64    73    77    47    48    80    54  
   45    46    49    58    77    47    48  
   46    49    50    51    52    53    55    58    77    47    48    54    56  
   49    50    51    47    54  
   48    80    81    82    78    60    49    51    55    58    59    64    65    66    73    74    77  
   80    55    58    59    64    73    77  
   50    51    52    53    55    58    60    54    56    57    63  
   51    52    53    55    54    56  
   52    53    55    58    59    64    60    61    62    54    56  
   53    55    58    60    54  
   55    58    60    54  
   56    57    63    67    70    55  
   58    59    64    65    66    73    77    60    61    62  
   57    63    67    68    69    70    71    72    75  
   63    67    70  
   59    64    65    66    73    74    77    80    78    60    61    62  
   64    65    66    73    77    60  
   61    62    64  
   62  
    0  
   67    68    69    70    71    72    75    76  
   65    66    73    74    77    80    78    79  
   66    73    74    77    78  
   73    74    77    78  
   68    69    70    71    72    75  
   69    70  
   70  
   71    72    75    76  
   72    75    76  
   75    76  
   74    77    80    81    82    78    79  
   77    80    78    79  
   76  
    0  
   80    81    82    78    79  
   79    80  
    0  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.510
   55    58   317.000  1.510
   55    60   549.000  1.340
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    47   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   268.000  1.529
   73    74   340.000  1.090
   73    77   317.000  1.510
   73    78   320.000  1.410
   77    47   317.000  1.510
   77    80   549.000  1.340
   47    48   340.000  1.090
   80    81   340.000  1.080
   80    82   340.000  1.080
   78    79   553.000  0.945
   60    61   340.000  1.080
   60    62   340.000  1.080
   54    56   214.000  1.327
   56    57   570.000  1.229
   56    63   320.000  1.462
   63    67   549.000  1.340
   63    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   320.000  1.410
   75    76   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    58    58.35000  112.70000
   43    47    77    70.00000  112.02700
   43    47    48    37.50000  110.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    58.35000  112.70000
   45    49    54    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    55    70.00000  112.02700
   49    54    56    83.00000  116.90000
   51    49    50    37.50000  110.70000
   51    55    58    65.00000  117.92700
   51    55    60    70.00000  124.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    58    59    35.00000  109.50000
   55    58    64    70.00000  112.02700
   55    58    47    70.00000  112.02700
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    73    58.35000  112.70000
   58    47    77    70.00000  112.02700
   58    47    48    37.50000  110.70000
   64    58    59    37.50000  110.70000
   64    73    74    37.50000  110.70000
   64    73    77    70.00000  112.02700
   64    73    78    50.00000  109.50000
   66    64    65    33.00000  107.80000
   73    64    65    37.50000  110.70000
   73    64    66    37.50000  110.70000
   73    77    47    65.00000  117.92700
   73    77    80    70.00000  124.00000
   73    78    79    55.00000  108.50000
   77    73    74    35.00000  109.50000
   77    47    48    35.00000  109.50000
   77    80    81    35.00000  120.00000
   77    80    82    35.00000  120.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    58    59    37.50000  110.70000
   47    58    64    58.35000  112.70000
   80    77    47    70.00000  124.00000
   82    80    81    35.00000  117.00000
   78    73    74    35.00000  109.50000
   78    73    77    90.00000  110.39200
   60    55    58    70.00000  124.00000
   62    60    61    35.00000  117.00000
   54    49    50    35.00000  109.50000
   54    49    51    50.00000  109.50000
   54    56    57    83.00000  123.40000
   54    56    63    90.00000  111.29400
   56    63    67    65.00000  118.96000
   56    63    70    65.00000  116.34900
   63    56    57    80.00000  123.72100
   63    67    68    35.00000  120.00000
   63    67    69    35.00000  120.00000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    75    90.00000  110.39200
   69    67    68    35.00000  117.00000
   70    63    67    70.00000  124.00000
   70    75    76    55.00000  108.50000
   72    70    71    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    51   0.34400  1.0 1.0
   39    45    49    51   0.09450 -1.0 2.0
   39    45    49    51   0.11100  1.0 3.0
   39    45    49    54   0.61850  1.0 1.0
   39    45    49    54  -0.22750 -1.0 2.0
   39    45    49    54   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    58   0.62750  1.0 1.0
   42    43    47    58  -0.30950 -1.0 2.0
   42    43    47    58   0.27300  1.0 3.0
   42    43    47    77   0.61850  1.0 1.0
   42    43    47    77  -0.22750 -1.0 2.0
   42    43    47    77   0.15300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.56750  1.0 1.0
   43    45    49    51  -0.07550 -1.0 2.0
   43    45    49    51   0.20000  1.0 3.0
   43    45    49    54   0.62750  1.0 1.0
   43    45    49    54  -0.30950 -1.0 2.0
   43    45    49    54   0.27300  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    58   0.15000  1.0 3.0
   44    43    47    77   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    58   0.56750  1.0 1.0
   45    43    47    58  -0.07550 -1.0 2.0
   45    43    47    58   0.20000  1.0 3.0
   45    43    47    77   0.34400  1.0 1.0
   45    43    47    77   0.09450 -1.0 2.0
   45    43    47    77   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    51    52   0.15000  1.0 3.0
   45    49    51    53   0.15000  1.0 3.0
   45    49    51    55   0.34400  1.0 1.0
   45    49    51    55   0.09450 -1.0 2.0
   45    49    51    55   0.11100  1.0 3.0
   45    49    54    56  -0.25900  1.0 1.0
   45    49    54    56  -0.47000 -1.0 2.0
   45    49    54    56   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.23400  1.0 3.0
   49    51    55    58   0.46850  1.0 1.0
   49    51    55    58   0.08550 -1.0 2.0
   49    51    55    58   0.09800  1.0 3.0
   49    51    55    60   0.09850  1.0 1.0
   49    51    55    60   0.15250 -1.0 2.0
   49    51    55    60  -0.50650  1.0 3.0
   49    54    56    57   3.00000 -1.0 2.0
   49    54    56    63   2.00000 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    54    56   0.08050  1.0 3.0
   51    49    54    56  -0.25900  1.0 1.0
   51    49    54    56  -0.47000 -1.0 2.0
   51    49    54    56   0.11750  1.0 3.0
   51    55    58    59   0.34800  1.0 3.0
   51    55    58    64   0.46850  1.0 1.0
   51    55    58    64   0.08550 -1.0 2.0
   51    55    58    64   0.09800  1.0 3.0
   51    55    58    47   0.46850  1.0 1.0
   51    55    58    47   0.08550 -1.0 2.0
   51    55    58    47   0.09800  1.0 3.0
   51    55    60    61   7.00000 -1.0 2.0
   51    55    60    62   7.00000 -1.0 2.0
   52    51    55    58   0.34800  1.0 3.0
   52    51    55    60   0.00000  1.0 1.0
   53    51    55    58   0.34800  1.0 3.0
   53    51    55    60   0.00000  1.0 1.0
   55    58    64    65   0.15000  1.0 3.0
   55    58    64    66   0.15000  1.0 3.0
   55    58    64    73   0.34400  1.0 1.0
   55    58    64    73   0.09450 -1.0 2.0
   55    58    64    73   0.11100  1.0 3.0
   55    58    47    43   0.34400  1.0 1.0
   55    58    47    43   0.09450 -1.0 2.0
   55    58    47    43   0.11100  1.0 3.0
   55    58    47    77   0.31000  1.0 1.0
   55    58    47    77   0.14700 -1.0 2.0
   55    58    47    77   0.07550  1.0 3.0
   55    58    47    48   0.15000  1.0 3.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   58    64    73    74   0.15000  1.0 3.0
   58    64   -73    77   0.34400  1.0 1.0
   58    64   -73    77   0.09450 -1.0 2.0
   58    64   -73    77   0.11100  1.0 3.0
   58    64    73    78   0.86500  1.0 1.0
   58    64    73    78  -0.17500 -1.0 2.0
   58    64    73    78   0.20800  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    73   0.15000  1.0 3.0
   59    58    47    43   0.15000  1.0 3.0
   59    58    47    77   0.15000  1.0 3.0
   59    58    47    48   0.15000  1.0 3.0
   64    58    47    43   0.56750  1.0 1.0
   64    58    47    43  -0.07550 -1.0 2.0
   64    58    47    43   0.20000  1.0 3.0
   64    58   -47    77   0.34400  1.0 1.0
   64    58   -47    77   0.09450 -1.0 2.0
   64    58   -47    77   0.11100  1.0 3.0
   64    58    47    48   0.15000  1.0 3.0
   64    73   -77    47   0.46850  1.0 1.0
   64    73   -77    47   0.08550 -1.0 2.0
   64    73   -77    47   0.09800  1.0 3.0
   64    73    77    80   0.09850  1.0 1.0
   64    73    77    80   0.15250 -1.0 2.0
   64    73    77    80  -0.50650  1.0 3.0
   64    73    78    79  -0.11600  1.0 1.0
   64    73    78    79  -0.09450 -1.0 2.0
   64    73    78    79   0.21250  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    77   0.15000  1.0 3.0
   65    64    73    78   0.23400  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    77   0.15000  1.0 3.0
   66    64    73    78   0.23400  1.0 3.0
   73    77    47    43   0.46850  1.0 1.0
   73    77    47    43   0.08550 -1.0 2.0
   73    77    47    43   0.09800  1.0 3.0
   73    77   -47    58   0.46850  1.0 1.0
   73    77   -47    58   0.08550 -1.0 2.0
   73    77   -47    58   0.09800  1.0 3.0
   73    77    47    48   0.34800  1.0 3.0
   73    77    80    81   7.00000 -1.0 2.0
   73    77    80    82   7.00000 -1.0 2.0
   74    73    77    47   0.34800  1.0 3.0
   74    73    77    80   0.00000  1.0 1.0
   74    73    78    79   0.19450  1.0 3.0
   77    73    78    79  -0.07800  1.0 1.0
   77    73    78    79  -0.21500 -1.0 2.0
   77    73    78    79  -0.03150  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    58    64    65   0.15000  1.0 3.0
   47    58    64    66   0.15000  1.0 3.0
   47    58   -64    73   0.56750  1.0 1.0
   47    58   -64    73  -0.07550 -1.0 2.0
   47    58   -64    73   0.20000  1.0 3.0
   47    77    80    81   7.00000 -1.0 2.0
   47    77    80    82   7.00000 -1.0 2.0
   80    77    47    43   0.09850  1.0 1.0
   80    77    47    43   0.15250 -1.0 2.0
   80    77    47    43  -0.50650  1.0 3.0
   80    77    47    58   0.09850  1.0 1.0
   80    77    47    58   0.15250 -1.0 2.0
   80    77    47    58  -0.50650  1.0 3.0
   80    77    47    48   0.00000  1.0 1.0
   78    73    77    47   0.18000  1.0 1.0
   78    73    77    47   0.16450 -1.0 2.0
   78    73    77    47   0.04450  1.0 3.0
   78    73    77    80   0.67800  1.0 1.0
   78    73    77    80   0.47050 -1.0 2.0
   78    73    77    80  -0.62500  1.0 3.0
   60    55    58    59   0.00000  1.0 1.0
   60    55    58    64   0.09850  1.0 1.0
   60    55    58    64   0.15250 -1.0 2.0
   60    55    58    64  -0.50650  1.0 3.0
   60    55    58    47   0.09850  1.0 1.0
   60    55    58    47   0.15250 -1.0 2.0
   60    55    58    47  -0.50650  1.0 3.0
   54    49    51    52   0.23400  1.0 3.0
   54    49    51    53   0.23400  1.0 3.0
   54    49    51    55   0.61850  1.0 1.0
   54    49    51    55  -0.22750 -1.0 2.0
   54    49    51    55   0.15300  1.0 3.0
   54    56    63    67  -0.56150  1.0 1.0
   54    56    63    67   2.19150 -1.0 2.0
   54    56    63    70  -0.15000  1.0 1.0
   54    56    63    70   0.89550 -1.0 2.0
   54    56    63    70  -0.06900  1.0 3.0
   56    63    67    68   7.00000 -1.0 2.0
   56    63    67    69   7.00000 -1.0 2.0
   56    63    70    71   0.15000  1.0 3.0
   56    63    70    72   0.15000  1.0 3.0
   56    63    70    75   0.09700  1.0 1.0
   56    63    70    75   0.15600 -1.0 2.0
   56    63    70    75  -0.50800  1.0 3.0
   57    56    63    67   1.00000 -1.0 2.0
   57    56    63    70  -0.64400  1.0 1.0
   57    56    63    70   0.26850 -1.0 2.0
   63    70    75    76  -0.07800  1.0 1.0
   63    70    75    76  -0.21500 -1.0 2.0
   63    70    75    76  -0.03150  1.0 3.0
   67    63    70    71   0.00000  1.0 1.0
   67    63    70    72   0.00000  1.0 1.0
   67    63    70    75   0.67800  1.0 1.0
   67    63    70    75   0.47050 -1.0 2.0
   67    63    70    75  -0.62500  1.0 3.0
   70    63    67    68   7.00000 -1.0 2.0
   70    63    67    69   7.00000 -1.0 2.0
   71    70    75    76   0.19450  1.0 3.0
   72    70    75    76   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   51    58    55    60   1.10000 -1.0 2.0
   73    47    77    80   1.10000 -1.0 2.0
   81    82    80    77   1.10000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
   54    63    56    57  10.50000 -1.0 2.0
   56    70    63    67  15.00000 -1.0 2.0
   68    69    67    63  15.00000 -1.0 2.0
END
