* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    161    267     478
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   102.41387    13.59683
    3     1 S   H    _H1_     3     1.02151    40.48355   117.96532
    4     1 S   H    _H2_     4     1.02111    73.46173   -92.51411
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   CT   _C17    36     1.86209    97.06778  -158.12558
   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   CM   _C14    37     1.54970   108.61402  -159.99337
   38    33 S   CT   _C10    52     1.61634   114.69107    67.18282
   39    33 S   NE   _N5_    63     1.47411   105.31880   -47.16769
   40    39 S   H    _H21    64     1.01114   124.62735   -57.02330
   41    37 S   CT   _C13    38     1.52240   120.27920  -125.01351
   42    41 S   HC   _H5_    39     1.10398   111.07093  -151.03269
   43    38 S   CA   _C19    53     1.52062   101.85368  -119.31171
   44    66 S   CT   _C11    65     1.52437   118.06245    24.26479
   45    44 S   HC   _H4_    66     1.10513   104.41548  -152.64846
   46    37 S   CMA  _C15    76     1.35045   122.20589    58.82319
   47    46 S   OM   _O33    77     1.26883   124.23740   176.25644
   48    41 S   CM   _C6_    40     1.50952   112.69731    89.71263
   49    43 S   CA   _C20    54     1.39055   129.35687  -176.00056
   50    49 S   HA   _H22    55     1.08476   121.33218    -0.25944
   51    41 S   CT   _C12    67     1.51876   112.05764   -31.57012
   52    51 S   HC   _H16    68     1.10223   110.47393  -179.60287
   53    51 S   HC   _H17    69     1.10112   110.70880   -63.18772
   54    46 S   OS   _O34    78     1.42043   109.86907    -3.68791
   55    48 S   CT   _C7_    41     1.49517   115.85894   -67.36366
   56    55 S   HC   _H10    42     1.10339   113.32482    87.19989
   57    55 S   HC   _H11    43     1.10337   109.53633  -154.43344
   58    49 S   CA   _C21    56     1.39629   118.86427  -179.70261
   59    58 S   HA   _H23    57     1.08629   119.82550   179.54846
   60    48 S   CM   _C5_    70     1.34196   122.40292   114.84871
   61    60 S   HC   _H9_    71     1.08383   118.59491   177.60151
   62    54 S   CT   _C16    79     1.42749   115.95064   180.00000
   63    62 S   HC   _H18    80     1.09322   109.48882  -179.93744
   64    62 S   HC   _H19    81     1.09274   109.52511    59.23999
   65    62 S   HC   _H20    82     1.09220   108.97981   -60.39829
   66    55 S   NP   _N4_    44     1.52231   115.31015   -36.08284
   67    66 S   H    _H3_    45     1.01743   106.97214   -97.44527
   68    58 S   CA   _C22    58     1.39933   120.38137    -0.16786
   69    68 S   HA   _H24    59     1.08677   119.78468   179.89347
   70    60 S   CT   _C4_    72     1.48916   123.86322    -2.39874
   71    70 S   HC   _H6_    73     1.09384   109.86315   -90.04956
   72    70 S   HC   _H7_    74     1.09510   112.36543   149.50452
   73    70 S   HC   _H8_    75     1.09381   109.83619    29.09803
   74    66 S   CT   _C8_    46     1.52040   112.11184   147.04081
   75    74 S   HC   _H12    47     1.09613   107.83728   123.84531
   76    74 S   HC   _H13    48     1.09470   108.57289     5.73121
   77    68 S   CA   _C23    60     1.39522   120.36775    -0.08847
   78    77 S   HA   _H25    61     1.08631   120.14723  -179.34988
   79    74 S   CT   _C9_    49     1.52597   105.61142  -115.52475
   80    79 S   HC   _H14    50     1.10214   112.43540   138.73000
   81    79 S   HC   _H15    51     1.10466   107.74091  -106.62184
   82    43 S   CA   _C18    62     1.39032   110.08961     4.15666
  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
  22   2   1   1  19  24  11   3  17   8  16  18   8   8   2  15
   8   4   8   2   1   4  11   5   4   6   3   6   4   3   2   1
   1   7   4   4   3   3   2   1   1   5   4   3   2   1   3   1
   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    79    38    43    82    39    40    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    48    66    74    79    80    81    38    43    49    77    82    39    40    44    45    51    46    47    54  
   35    36  
   36  
    0  
   41    42    48    55    79    38    43    82    39    40    44    51    52    53    60    46    47    54    62  
   43    49    50    58    77    82    39    40    44    45    51    52    53    46    41    55    66    67    74    75    76    79    80    81  
   40    44    46    41    43    49    68    77    78    79    82  
   43    77    82  
   42    48    55    56    57    66    44    45    51    52    53    60    61    70    46    47    54  
   48    55    44    51    52    53    60    46  
   49    50    58    59    68    77    78    82    44    45    51    66    74    79    80    81  
   45    51    52    53    48    49    55    56    57    66    67    74    75    76    79    80    81    82  
   51    52    53    55    66    67    74    79  
   47    54    62    63    64    65    48    51  
   54    62  
   55    56    57    66    67    74    51    52    53    60    61    70    71    72    73  
   50    58    59    68    69    77    82    79  
   58    59    68    82  
   52    53    60    55    66    67    74    79  
   53    66  
   66  
   62    63    64    65  
   56    57    66    67    74    75    76    79    60    61    70  
   57    66    67    74    60  
   66    67    74    60  
   59    68    69    77    78    82  
   68    69    77  
   61    70    71    72    73    66  
   70    71    72    73  
   63    64    65  
   64    65  
   65  
    0  
   67    74    75    76    79    80    81  
   74    75    76    79  
   69    77    78    82  
   77    78    82  
   71    72    73  
   72    73  
   73  
    0  
   75    76    79    80    81  
   76    79    80    81  
   79    80    81  
   78    82  
   82  
   80    81    82  
   81  
    0  
    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   0.367500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   67   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    39   382.000  1.448
   37    41   317.000  1.510
   37    46   465.000  1.376
   41    42   340.000  1.090
   41    48   317.000  1.510
   41    51   268.000  1.529
   48    55   317.000  1.510
   48    60   549.000  1.340
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    66   367.000  1.471
   66    67   434.000  1.010
   66    74   367.000  1.471
   66    44   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    38   268.000  1.529
   38    43   317.000  1.510
   38    44   268.000  1.529
   43    49   469.000  1.400
   43    82   469.000  1.400
   49    50   367.000  1.080
   49    58   469.000  1.400
   58    59   367.000  1.080
   58    68   469.000  1.400
   68    69   367.000  1.080
   68    77   469.000  1.400
   77    78   367.000  1.080
   77    82   469.000  1.400
   82    39   481.000  1.340
   39    40   434.000  1.010
   44    45   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   60    61   340.000  1.080
   60    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   46    47   745.000  1.250
   46    54   440.000  1.360
   54    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    80.00000  108.62000
   33    37    41    65.00000  117.92700
   33    37    46    70.00000  124.00000
   33    38    79    58.35000  112.70000
   33    38    43    70.00000  112.17500
   33    38    44    58.35000  112.70000
   33    39    82    50.00000  120.00000
   33    39    40    35.00000  112.50000
   37    41    42    35.00000  109.50000
   37    41    48    70.00000  110.12100
   37    41    51    70.00000  112.02700
   37    46    47    65.00000  137.10300
   37    46    54    80.00000  120.01400
   41    48    55    65.00000  117.92700
   41    48    60    70.00000  124.00000
   41    51    44    58.35000  112.70000
   41    51    52    37.50000  110.70000
   41    51    53    37.50000  110.70000
   48    41    42    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    66    75.00000  110.06800
   48    60    61    35.00000  120.00000
   48    60    70    70.00000  124.00000
   55    66    67    35.00000  109.50000
   55    66    74    75.00000  113.01200
   55    66    44    75.00000  113.01200
   57    55    56    33.00000  107.80000
   66    55    56    35.00000  109.50000
   66    55    57    35.00000  109.50000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    79    80.00000  111.20000
   66    44    38    80.00000  111.20000
   66    44    45    35.00000  109.50000
   66    44    51    80.00000  111.20000
   74    66    67    35.00000  109.50000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    38    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    38    43    70.00000  112.17500
   79    38    44    58.35000  112.70000
   81    79    80    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    79    80    37.50000  110.70000
   38    79    81    37.50000  110.70000
   38    43    49    70.00000  120.00000
   38    43    82    70.00000  120.00000
   38    44    45    37.50000  110.70000
   38    44    51    58.35000  112.70000
   43    49    50    35.00000  120.00000
   43    49    58    63.00000  120.00000
   43    82    77    63.00000  120.00000
   43    82    39    70.00000  120.10000
   49    58    59    35.00000  120.00000
   49    58    68    63.00000  120.00000
   58    49    50    35.00000  120.00000
   58    68    69    35.00000  120.00000
   58    68    77    63.00000  120.00000
   68    58    59    35.00000  120.00000
   68    77    78    35.00000  120.00000
   68    77    82    63.00000  120.00000
   77    68    69    35.00000  120.00000
   77    82    39    70.00000  120.10000
   82    43    49    63.00000  120.00000
   82    77    78    35.00000  120.00000
   82    39    40    35.00000  113.50000
   39    33    37    80.00000  112.42400
   39    33    38    80.00000  111.61500
   44    66    67    35.00000  109.50000
   44    66    74    75.00000  113.01200
   44    38    43    70.00000  112.17500
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   51    41    42    37.50000  110.70000
   51    41    48    70.00000  112.02700
   51    44    45    37.50000  110.70000
   53    51    52    33.00000  107.80000
   60    48    55    70.00000  124.00000
   60    70    71    35.00000  109.50000
   60    70    72    35.00000  109.50000
   60    70    73    35.00000  109.50000
   70    60    61    35.00000  117.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   46    37    41    70.00000  124.00000
   46    54    62    90.00000  111.18400
   54    46    47    65.00000  121.00000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    38    79   0.44750  1.0 1.0
   29    33    38    79  -0.17800 -1.0 2.0
   29    33    38    79   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    39    82  -0.12500  1.0 1.0
   29    33    39    82  -0.12500 -1.0 2.0
   29    33    39    82   0.25000  1.0 3.0
   29    33    39    40  -0.12500  1.0 1.0
   29    33    39    40  -0.12500 -1.0 2.0
   29    33    39    40   0.25000  1.0 3.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    48   0.09700  1.0 1.0
   33    37    41    48   0.15600 -1.0 2.0
   33    37    41    48  -0.50800  1.0 3.0
   33    37    41    51   0.46850  1.0 1.0
   33    37    41    51   0.08550 -1.0 2.0
   33    37    41    51   0.09800  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    54   7.00000 -1.0 2.0
   33    38    43    49   0.04150 -1.0 2.0
   33    38   -43    82   0.04150 -1.0 2.0
   33    38    44    66   1.36600  1.0 1.0
   33    38    44    66  -0.11450 -1.0 2.0
   33    38    44    66   0.24250  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38   -44    51   0.56750  1.0 1.0
   33    38   -44    51  -0.07550 -1.0 2.0
   33    38   -44    51   0.20000  1.0 3.0
   37    33    38    79   0.34400  1.0 1.0
   37    33    38    79   0.09450 -1.0 2.0
   37    33    38    79   0.11100  1.0 3.0
   37    33    38    43   0.21200  1.0 1.0
   37    33    38    43   0.16900 -1.0 2.0
   37    33    38    43  -1.15100  1.0 3.0
   37    33    38    44   0.34400  1.0 1.0
   37    33    38    44   0.09450 -1.0 2.0
   37    33    38    44   0.11100  1.0 3.0
   37    33    39    82  -0.12500  1.0 1.0
   37    33    39    82  -0.12500 -1.0 2.0
   37    33    39    82   0.25000  1.0 3.0
   37    33    39    40  -0.12500  1.0 1.0
   37    33    39    40  -0.12500 -1.0 2.0
   37    33    39    40   0.25000  1.0 3.0
   37    41    48    55   0.09700  1.0 1.0
   37    41    48    55   0.15600 -1.0 2.0
   37    41    48    55  -0.50800  1.0 3.0
   37    41    48    60  -0.28300  1.0 1.0
   37    41    48    60   0.26700 -1.0 2.0
   37    41    48    60  -0.63300  1.0 3.0
   37    41   -51    44   0.34400  1.0 1.0
   37    41   -51    44   0.09450 -1.0 2.0
   37    41   -51    44   0.11100  1.0 3.0
   37    41    51    52   0.15000  1.0 3.0
   37    41    51    53   0.15000  1.0 3.0
   37    46    54    62  -2.26850  1.0 1.0
   37    46    54    62   3.39050 -1.0 2.0
   41    37    46    47   7.00000 -1.0 2.0
   41    37    46    54   7.00000 -1.0 2.0
   41    48    55    56   0.34800  1.0 3.0
   41    48    55    57   0.34800  1.0 3.0
   41    48    55    66   0.52100  1.0 1.0
   41    48    55    66  -0.20350 -1.0 2.0
   41    48    55    66   0.29750  1.0 3.0
   41    48    60    61   7.00000 -1.0 2.0
   41    48    60    70   7.00000 -1.0 2.0
   42    41    48    55   0.34800  1.0 3.0
   42    41    48    60   0.00000  1.0 1.0
   42    41    51    44   0.15000  1.0 3.0
   42    41    51    52   0.15000  1.0 3.0
   42    41    51    53   0.15000  1.0 3.0
   48    41    51    44   0.34400  1.0 1.0
   48    41    51    44   0.09450 -1.0 2.0
   48    41    51    44   0.11100  1.0 3.0
   48    41    51    52   0.15000  1.0 3.0
   48    41    51    53   0.15000  1.0 3.0
   48    55    66    67   0.17350  1.0 3.0
   48    55    66    74   0.08000 -1.0 2.0
   48    55   -66    44   0.08000 -1.0 2.0
   48    60    70    71   0.00000  1.0 1.0
   48    60    70    72   0.00000  1.0 1.0
   48    60    70    73   0.00000  1.0 1.0
   55    48    60    61   7.00000 -1.0 2.0
   55    48    60    70   7.00000 -1.0 2.0
   55    66    74    75   0.15000  1.0 3.0
   55    66    74    76   0.15000  1.0 3.0
   55    66    74    79   0.47100  1.0 1.0
   55    66    44    38   0.47100  1.0 1.0
   55    66    44    45   0.15000  1.0 3.0
   55    66    44    51   0.47100  1.0 1.0
   56    55    66    67   0.13050  1.0 3.0
   56    55    66    74   0.15000  1.0 3.0
   56    55    66    44   0.15000  1.0 3.0
   57    55    66    67   0.13050  1.0 3.0
   57    55    66    74   0.15000  1.0 3.0
   57    55    66    44   0.15000  1.0 3.0
   66    74    79    80   0.19200  1.0 3.0
   66    74    79    81   0.19200  1.0 3.0
   66    74   -79    38   1.36600  1.0 1.0
   66    74   -79    38  -0.11450 -1.0 2.0
   66    74   -79    38   0.24250  1.0 3.0
   66    44   -51    41   1.36600  1.0 1.0
   66    44   -51    41  -0.11450 -1.0 2.0
   66    44   -51    41   0.24250  1.0 3.0
   66    44    51    52   0.19200  1.0 3.0
   66    44    51    53   0.19200  1.0 3.0
   67    66    74    75   0.13050  1.0 3.0
   67    66    74    76   0.13050  1.0 3.0
   67    66    74    79   0.17350  1.0 3.0
   67    66    44    38   0.17350  1.0 3.0
   67    66    44    45   0.13050  1.0 3.0
   67    66    44    51   0.17350  1.0 3.0
   74    66   -44    38   0.47100  1.0 1.0
   74    66    44    45   0.15000  1.0 3.0
   74    66    44    51   0.47100  1.0 1.0
   74    79    38    33   0.56750  1.0 1.0
   74    79    38    33  -0.07550 -1.0 2.0
   74    79    38    33   0.20000  1.0 3.0
   74    79    38    43  -0.03700  1.0 1.0
   74    79    38    43   0.37200 -1.0 2.0
   74    79    38    43  -0.47300  1.0 3.0
   74    79   -38    44   0.56750  1.0 1.0
   74    79   -38    44  -0.07550 -1.0 2.0
   74    79   -38    44   0.20000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    38   0.15000  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    38   0.15000  1.0 3.0
   79    38    43    49   0.04150 -1.0 2.0
   79    38    43    82   0.04150 -1.0 2.0
   79    38   -44    66   1.36600  1.0 1.0
   79    38   -44    66  -0.11450 -1.0 2.0
   79    38   -44    66   0.24250  1.0 3.0
   79    38    44    45   0.15000  1.0 3.0
   79    38    44    51   0.56750  1.0 1.0
   79    38    44    51  -0.07550 -1.0 2.0
   79    38    44    51   0.20000  1.0 3.0
   80    79    38    33   0.15000  1.0 3.0
   80    79    38    43   0.43200  1.0 3.0
   80    79    38    44   0.15000  1.0 3.0
   81    79    38    33   0.15000  1.0 3.0
   81    79    38    43   0.43200  1.0 3.0
   81    79    38    44   0.15000  1.0 3.0
   38    33    37    41   0.46850  1.0 1.0
   38    33    37    41   0.08550 -1.0 2.0
   38    33    37    41   0.09800  1.0 3.0
   38    33    37    46   0.09850  1.0 1.0
   38    33    37    46   0.15250 -1.0 2.0
   38    33    37    46  -0.50650  1.0 3.0
   38    33   -39    82  -0.12500  1.0 1.0
   38    33   -39    82  -0.12500 -1.0 2.0
   38    33   -39    82   0.25000  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    43    49    50   3.62500 -1.0 2.0
   38    43    49    58   3.62500 -1.0 2.0
   38    43    82    77   3.62500 -1.0 2.0
   38    43   -82    39   3.62500 -1.0 2.0
   38    44   -51    41   0.56750  1.0 1.0
   38    44   -51    41  -0.07550 -1.0 2.0
   38    44   -51    41   0.20000  1.0 3.0
   38    44    51    52   0.15000  1.0 3.0
   38    44    51    53   0.15000  1.0 3.0
   43    38    44    66   1.24050  1.0 1.0
   43    38    44    66   0.48100 -1.0 2.0
   43    38    44    66   1.08150  1.0 3.0
   43    38    44    45   0.43200  1.0 3.0
   43    38    44    51  -0.03700  1.0 1.0
   43    38    44    51   0.37200 -1.0 2.0
   43    38    44    51  -0.47300  1.0 3.0
   43    49    58    59   3.62500 -1.0 2.0
   43    49    58    68   3.62500 -1.0 2.0
   43    82   -39    33  -1.00000  1.0 1.0
   43    82   -39    33   1.25000 -1.0 2.0
   43    82    39    40   1.00000 -1.0 2.0
   49    43    82    77   3.62500 -1.0 2.0
   49    43    82    39   3.62500 -1.0 2.0
   49    58    68    69   3.62500 -1.0 2.0
   49    58   -68    77   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    49    58    68   3.62500 -1.0 2.0
   58    68    77    78   3.62500 -1.0 2.0
   58    68    77    82   3.62500 -1.0 2.0
   59    58    68    69   3.62500 -1.0 2.0
   59    58    68    77   3.62500 -1.0 2.0
   68    77   -82    43   3.62500 -1.0 2.0
   68    77    82    39   3.62500 -1.0 2.0
   69    68    77    78   3.62500 -1.0 2.0
   69    68    77    82   3.62500 -1.0 2.0
   77    82    39    33  -1.00000  1.0 1.0
   77    82    39    33   1.25000 -1.0 2.0
   77    82    39    40   1.00000 -1.0 2.0
   78    77    82    43   3.62500 -1.0 2.0
   78    77    82    39   3.62500 -1.0 2.0
   82    43    49    50   3.62500 -1.0 2.0
   82    43   -49    58   3.62500 -1.0 2.0
   39    33    37    41   0.09700  1.0 1.0
   39    33    37    41   0.15600 -1.0 2.0
   39    33    37    41  -0.50800  1.0 3.0
   39    33    37    46   0.62150  1.0 1.0
   39    33    37    46   0.42850 -1.0 2.0
   39    33    37    46  -0.68200  1.0 3.0
   39    33    38    79   1.26750  1.0 1.0
   39    33    38    79  -0.00950 -1.0 2.0
   39    33    38    79   0.30600  1.0 3.0
   39    33   -38    43   0.08550  1.0 1.0
   39    33   -38    43   1.07500 -1.0 2.0
   39    33   -38    43  -0.10950  1.0 3.0
   39    33    38    44   1.26750  1.0 1.0
   39    33    38    44  -0.00950 -1.0 2.0
   39    33    38    44   0.30600  1.0 3.0
   44    66    74    75   0.15000  1.0 3.0
   44    66    74    76   0.15000  1.0 3.0
   44    66   -74    79   0.47100  1.0 1.0
   44    38    43    49   0.04150 -1.0 2.0
   44    38    43    82   0.04150 -1.0 2.0
   45    44    51    41   0.15000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   51    41   -48    55   0.46850  1.0 1.0
   51    41   -48    55   0.08550 -1.0 2.0
   51    41   -48    55   0.09800  1.0 3.0
   51    41    48    60   0.09850  1.0 1.0
   51    41    48    60   0.15250 -1.0 2.0
   51    41    48    60  -0.50650  1.0 3.0
   60    48    55    56   0.00000  1.0 1.0
   60    48    55    57   0.00000  1.0 1.0
   60    48    55    66   0.80850  1.0 1.0
   60    48    55    66  -0.47300 -1.0 2.0
   60    48    55    66  -0.52300  1.0 3.0
   61    60    70    71   0.33100  1.0 3.0
   61    60    70    72   0.33100  1.0 3.0
   61    60    70    73   0.33100  1.0 3.0
   46    37    41    42   0.00000  1.0 1.0
   46    37    41    48  -0.28300  1.0 1.0
   46    37    41    48   0.26700 -1.0 2.0
   46    37    41    48  -0.63300  1.0 3.0
   46    37    41    51   0.09850  1.0 1.0
   46    37    41    51   0.15250 -1.0 2.0
   46    37    41    51  -0.50650  1.0 3.0
   46    54    62    63   0.08050  1.0 3.0
   46    54    62    64   0.08050  1.0 3.0
   46    54    62    65   0.08050  1.0 3.0
   47    46    54    62   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    46   1.10000 -1.0 2.0
   41    55    48    60   1.10000 -1.0 2.0
   49    82    43    38   4.00000 -1.0 2.0
   58    50    49    43   1.10000 -1.0 2.0
   68    59    58    49   1.10000 -1.0 2.0
   77    69    68    58   1.10000 -1.0 2.0
   82    78    77    68   1.10000 -1.0 2.0
   77    39    82    43   4.00000 -1.0 2.0
   40    82    39    33   1.00000 -1.0 2.0
   70    61    60    48   1.10000 -1.0 2.0
   47    54    46    37   1.10000 -1.0 2.0
END
