* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    159    253     462
    1     0 S   NP   _N1_     1    28.71789    94.01607   -21.01720
    2     1 S   H    _HN1     2     1.02970    93.91237    42.41594
    3     1 S   H    _H1_     3     1.02833    26.53015   163.80079
    4     1 S   H    _H2_     4     1.02775    91.26686   -66.04832
    5     1 S   CT   _CA1     5     1.50131   137.23198   168.38460
    6     5 S   HC   _HA1     6     1.09577   105.23691    56.94443
    7     5 S   CO3  _C1_     7     1.53784   112.35088   -63.20910
    8     7 S   O2Z  _O11     8     1.26345   115.00342   -44.10177
    9     7 S   O2Z  _O12     9     1.26242   114.91042   135.02410
   10     5 S   CT   _CB1    10     1.53079   107.39096   174.77963
   11    10 S   HC   HB11    11     1.09816   109.26363   -51.30596
   12    10 S   HC   HB12    12     1.09829   110.42161    65.20767
   13    10 S   CT   _CG1    13     1.53002   112.72576  -172.52585
   14    13 S   HC   HG11    14     1.09589   110.24546   -62.86834
   15    13 S   HC   HG12    15     1.09630   110.19420    56.31914
   16    13 S   C    _CD1    16     1.51815   112.18773   176.43927
   17    16 S   O    _OE1    17     1.22735   123.17535   -11.98844
   18    16 S   N    _N2_    18     1.38598   111.70777   168.75740
   19    18 S   H    _HN2    19     1.01584   119.02979     0.96144
   20    18 S   CT1  _CA2    20     1.46283   123.42834  -177.67358
   21    20 S   HC   _HA2    21     1.09733   109.34562   -14.82188
   22    20 S   C    _C2_    22     1.53394   108.32936  -130.56720
   23    22 S   O    _O2_    23     1.23008   122.29785  -146.05867
   24    20 S   CT   _CB2    32     1.53433   111.24379   107.24378
   25    24 S   HC   HB21    33     1.09601   109.62285    54.76525
   26    24 S   HC   HB22    34     1.09498   110.74781   173.71996
   27    22 S   N    _N3_    24     1.38529   113.32108    41.35326
   28    27 S   H    _HN3    25     1.01531   118.87705    -0.64710
   29    24 S   S    _SG2    35     1.82583   111.61037   -66.42116
   30    27 S   CT   _CA3    26     1.45449   123.46939   175.08207
   31    30 S   HC   HA31    27     1.09522   109.24724    24.07320
   32    30 S   HC   HA32    28     1.09495   107.11520   141.08260
   33    29 S   CT   _C22    36     1.84006    99.06754   159.64922
   34    33 S   HC   _H3_    37     1.09524   108.14792   -52.02840
   35    30 S   CO3  _C3_    29     1.52927   113.12929   -99.41078
   36    35 S   O2Z  _O31    30     1.26402   115.41754   -43.98638
   37    35 S   O2Z  _O32    31     1.26357   114.97489   136.95946
   38    33 S   CM   _C14    38     1.54143   108.31476  -171.97067
   39    38 S   CT   _C20    39     1.53955   111.16917   -97.80054
   40    39 S   HC   _H40    40     1.10145   105.16473    60.10833
   41    38 S   CMA  _C15    77     1.37015   120.82230    83.98845
   42    41 S   OM   _O24    78     1.26707   126.72057   178.26145
   43    39 S   CM   _C13    41     1.52354   109.61482   -53.71600
   44    39 S   CT   _C17    67     1.54827   119.43427   178.30050
   45    44 S   HC   _H35    68     1.09875   110.23002    57.43485
   46    44 S   HC   _H36    69     1.09724   109.58103   -60.94382
   47    41 S   OS   _O26    79     1.42286   111.38129    -0.16669
   48    43 S   CM   _C12    42     1.34324   120.55540  -155.25622
   49    48 S   HC   _H32    43     1.08488   121.30033  -179.48074
   50    43 S   CT   _C21    70     1.50416   116.91503    27.52084
   51    50 S   HC   _H41    71     1.09717   108.65430   142.13810
   52    47 S   CT   _C24    80     1.42846   113.82214  -134.96045
   53    52 S   HC   _H46    81     1.09396   107.69737   170.61980
   54    52 S   HC   _H47    82     1.09540   111.14584    52.45744
   55    52 S   HC   _H48    83     1.09464   111.03989   -71.42569
   56    48 S   NE   _N23    44     1.38133   124.71163     0.02798
   57    33 S   OS   _O25    72     1.43476   109.41973    63.59349
   58    50 S   CT   _C23    73     1.52797   114.06191   -98.23030
   59    58 S   HC   _H43    74     1.09445   112.53905    56.73905
   60    58 S   HC   _H44    75     1.09501   110.99266   -64.02037
   61    58 S   HC   _H45    76     1.09536   110.18421   175.75656
   62    56 S   CT   _C18    45     1.47566   122.62086  -177.71381
   63    62 S   HC   _H37    46     1.09755   108.48790   105.53589
   64    62 S   HC   _H38    47     1.09663   111.11978   -11.83095
   65    62 S   CT   _C16    48     1.54263   111.37420  -133.19854
   66    65 S   HC   _H33    49     1.09539   109.52134  -171.75669
   67    65 S   HC   _H34    50     1.09686   109.52894    70.27252
   68    65 S   C5B  _C9_    51     1.48930   110.54669   -49.47916
   69    68 S   C56B _C8_    52     1.42092   131.37012  -156.30583
   70    68 S   C5A  _C11    64     1.37829   121.04230    24.14054
   71    69 S   CA   _C6_    53     1.40929   134.47023    -0.03956
   72    71 S   HA   _H30    54     1.08614   120.72257    -0.10468
   73    56 S   CT   _C19    65     1.48952   119.77365    -6.72631
   74    73 S   HC   _H39    66     1.09847   107.81340   -83.97263
   75    71 S   CA   _C4_    55     1.39954   119.29528   179.92598
   76    75 S   HA   _H28    56     1.08687   119.52121   180.00000
   77    75 S   CA   _C5_    57     1.39324   120.76506    -0.02798
   78    77 S   HA   _H29    58     1.08715   119.55787   180.00000
   79    77 S   CA   _C7_    59     1.39784   121.04748    -0.00000
   80    79 S   HA   _H31    60     1.08493   120.92176   179.98022
   81    69 S   C56A _C10    61     1.39978   106.82703   179.88297
   82    81 S   NA   _N22    62     1.37956   107.49688     0.01978
   83    82 S   H    _H49    63     1.01091   124.86372   179.96574
  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   7   5   4   3
  13   5   2   1   1  14  18   8   9   2  15  11   5   4   4  13
   4   7   5   3   2   1   1  11   4   3   2   1   1  10   6   5
   9   4   3  11  12   7   8   4   4   1   6   3   5   3   4   2
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    50    51    57    58    41    42    47  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    48    73    44    45    46    50    57    41    42    47    52  
   40    43    48    49    56    70    73    74    44    45    46    50    51    57    58    41    42    47  
   43    48    73    44    45    46    50    41  
   42    47    52    53    54    55    43    44    57  
   47    52  
   48    49    56    62    73    44    45    46    50    51    57    58    59    60    61  
   45    46    50    48    56    62    68    70    73    74    82  
   46    56    70    73    74  
   56    70    73    74  
   52    53    54    55  
   49    56    62    63    64    65    70    73    74    50    51    57    58  
   56    62    73    50  
   51    57    58    59    60    61    56  
   57    58    59    60    61  
   53    54    55  
   54    55  
   55  
    0  
   62    63    64    65    66    67    68    82    70    73    74  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    73    74  
   64    65    66    67    68    73  
   65    66    67    68    73  
   66    67    68    69    71    81    82    70    73  
   67    68    69    70  
   68    69    70  
   69    71    72    75    79    81    82    83    70    73    74  
   71    72    75    76    77    79    80    81    82    83    70    73  
   73    74    71    79    81    82    83  
   72    75    76    77    78    79    81    82  
   75    76    77    81  
   74    81    82    83  
   82  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82    83  
   81    82  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.488600   1.9050   1.6860   0.051222218  -2.220205820
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.290300   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   83   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   268.000  1.529
   43    48   549.000  1.340
   43    50   317.000  1.510
   48    49   340.000  1.080
   48    56   425.000  1.378
   56    62   382.000  1.448
   56    73   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   295.000  1.494
   68    69   380.000  1.440
   68    70   520.000  1.370
   69    71   469.000  1.404
   69    81   447.000  1.419
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   428.000  1.380
   82    83   434.000  1.010
   82    70   427.000  1.381
   70    73   295.000  1.489
   73    74   340.000  1.090
   73    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   50    51   340.000  1.090
   50    57   320.000  1.410
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   745.000  1.250
   41    47   440.000  1.360
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  110.12100
   38    39    44    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    47    80.00000  120.01400
   39    43    48    70.00000  124.00000
   39    43    50    65.00000  117.92700
   39    44    73    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    56    70.00000  124.03900
   43    50    51    35.00000  109.50000
   43    50    57    85.00000  110.90400
   43    50    58    70.00000  112.02700
   48    56    62    50.00000  121.00000
   48    56    73    50.00000  121.00000
   56    48    49    50.00000  112.30800
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    80.00000  111.61500
   56    73    70    75.00000  112.06000
   56    73    74    35.00000  109.50000
   56    73    44    80.00000  111.61500
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.62400
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    55.00000  128.73000
   65    68    70    55.00000  127.77900
   67    65    66    33.00000  107.80000
   68    65    66    45.00000  111.11700
   68    65    67    45.00000  111.11700
   68    69    71    50.00000  134.85500
   68    69    81    80.00000  107.43600
   68    70    82    70.00000  106.30000
   68    70    73    55.00000  130.44200
   69    71    72    35.00000  120.00000
   69    71    75    63.00000  120.00000
   69    81    79    85.00000  122.70000
   69    81    82    70.00000  104.40000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    85.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    70.00000  132.80000
   81    69    71    85.00000  116.20000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  123.10000
   81    82    70    90.00000  107.14200
   82    70    73    65.00000  122.56900
   70    68    69    80.00000  105.82900
   70    82    83    35.00000  120.00000
   70    73    74    45.00000  110.47400
   70    73    44    70.00000  113.44400
   73    56    62    50.00000  115.00000
   73    44    45    37.50000  110.70000
   73    44    46    37.50000  110.70000
   44    39    40    37.50000  110.70000
   44    39    43    70.00000  112.02700
   44    73    74    37.50000  110.70000
   46    44    45    33.00000  107.80000
   50    43    48    70.00000  124.00000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    50    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    47    52    90.00000  111.18400
   47    41    42    65.00000  121.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.09700  1.0 1.0
   33    38    39    43   0.15600 -1.0 2.0
   33    38    39    43  -0.50800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    48  -0.28300  1.0 1.0
   38    39    43    48   0.26700 -1.0 2.0
   38    39    43    48  -0.63300  1.0 3.0
   38    39   -43    50   0.09700  1.0 1.0
   38    39   -43    50   0.15600 -1.0 2.0
   38    39   -43    50  -0.50800  1.0 3.0
   38    39    44    73   0.34400  1.0 1.0
   38    39    44    73   0.09450 -1.0 2.0
   38    39    44    73   0.11100  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39    44    46   0.15000  1.0 3.0
   38    41    47    52  -2.26850  1.0 1.0
   38    41    47    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   39    43    48    49   7.00000 -1.0 2.0
   39    43    48    56   7.00000 -1.0 2.0
   39    43    50    51   0.34800  1.0 3.0
   39    43    50    57   0.09700  1.0 1.0
   39    43    50    57   0.15600 -1.0 2.0
   39    43    50    57  -0.50800  1.0 3.0
   39    43    50    58   0.46850  1.0 1.0
   39    43    50    58   0.08550 -1.0 2.0
   39    43    50    58   0.09800  1.0 3.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    43    50   0.34800  1.0 3.0
   40    39    44    73   0.15000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   43    39    44    73   0.34400  1.0 1.0
   43    39    44    73   0.09450 -1.0 2.0
   43    39    44    73   0.11100  1.0 3.0
   43    39    44    45   0.15000  1.0 3.0
   43    39    44    46   0.15000  1.0 3.0
   43    48    56    62  -0.54700  1.0 1.0
   43    48    56    62   1.23000 -1.0 2.0
   43    48   -56    73  -0.54700  1.0 1.0
   43    48   -56    73   1.23000 -1.0 2.0
   43    50   -57    33  -0.77900  1.0 1.0
   43    50   -57    33  -0.36900 -1.0 2.0
   43    50   -57    33   0.40400  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    60   0.15000  1.0 3.0
   43    50    58    61   0.15000  1.0 3.0
   48    43    50    51   0.00000  1.0 1.0
   48    43    50    57   0.39000  1.0 1.0
   48    43    50    57  -0.05800 -1.0 2.0
   48    43    50    57  -0.55150  1.0 3.0
   48    43    50    58   0.09850  1.0 1.0
   48    43    50    58   0.15250 -1.0 2.0
   48    43    50    58  -0.50650  1.0 3.0
   48    56    62    63   0.00000  1.0 1.0
   48    56    62    64   0.00000  1.0 1.0
   48    56    62    65   0.25450  1.0 1.0
   48    56    62    65  -0.61700 -1.0 2.0
   48    56    62    65  -0.23550  1.0 3.0
   48    56    73    70  -0.12500  1.0 1.0
   48    56    73    70  -0.12500 -1.0 2.0
   48    56    73    70   0.25000  1.0 3.0
   48    56    73    74   0.00000  1.0 1.0
   48    56    73    44   0.25450  1.0 1.0
   48    56    73    44  -0.61700 -1.0 2.0
   48    56    73    44  -0.23550  1.0 3.0
   49    48    56    62   0.00000  1.0 1.0
   49    48    56    73   0.00000  1.0 1.0
   56    62    65    66   0.22950  1.0 3.0
   56    62    65    67   0.22950  1.0 3.0
   56    62    65    68   0.08550  1.0 1.0
   56    62    65    68   1.07500 -1.0 2.0
   56    62    65    68  -0.10950  1.0 3.0
   56    73   -44    39   1.26750  1.0 1.0
   56    73   -44    39  -0.00950 -1.0 2.0
   56    73   -44    39   0.30600  1.0 3.0
   56    73    44    45   0.22950  1.0 3.0
   56    73    44    46   0.22950  1.0 3.0
   62    56    73    70   0.00000  1.0 1.0
   62    56    73    74   0.00000  1.0 1.0
   62    56    73    44   0.00000  1.0 1.0
   62    65    68    69   0.04150 -1.0 2.0
   62    65   -68    70   0.04150 -1.0 2.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.43200  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.43200  1.0 3.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    81   3.62500 -1.0 2.0
   65    68    70    82   3.62500 -1.0 2.0
   65    68    70    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    70   0.00000  1.0 1.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    75   3.62500 -1.0 2.0
   68    69    81    79   3.00000 -1.0 2.0
   68    69   -81    82   3.00000 -1.0 2.0
   68    70   -73    56  -0.06000  1.0 1.0
   68    70   -73    56   0.30500 -1.0 2.0
   68    70   -73    56   0.09200  1.0 3.0
   68    70    73    74   0.00000  1.0 1.0
   68    70    73    44   0.04150 -1.0 2.0
   69    68   -70    82   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   69    71    75    76   3.62500 -1.0 2.0
   69    71    75    77   3.62500 -1.0 2.0
   69    81    82    83   1.52500 -1.0 2.0
   69    81   -82    70   3.62500 -1.0 2.0
   71    69    81    79   3.00000 -1.0 2.0
   71    69    81    82   3.00000 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75   -77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    69   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   1.52500 -1.0 2.0
   79    81    82    70   3.62500 -1.0 2.0
   80    79    81    69   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    69    71    72   3.50000 -1.0 2.0
   81    69   -71    75   3.50000 -1.0 2.0
   81    82   -70    68   3.62500 -1.0 2.0
   81    82    70    73   3.62500 -1.0 2.0
   82    70    73    56   0.04300 -1.0 2.0
   82    70    73    74   0.00000  1.0 1.0
   82    70    73    44   0.39850  1.0 1.0
   82    70    73    44   0.06450 -1.0 2.0
   82    70    73    44   0.32400  1.0 3.0
   83    82    70    68   1.40000 -1.0 2.0
   83    82    70    73   2.00000 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68   -69    81   3.50000 -1.0 2.0
   70    73    44    39  -0.03700  1.0 1.0
   70    73    44    39   0.37200 -1.0 2.0
   70    73    44    39  -0.47300  1.0 3.0
   70    73    44    45   0.43200  1.0 3.0
   70    73    44    46   0.43200  1.0 3.0
   73    56    62    63   0.00000  1.0 1.0
   73    56    62    64   0.00000  1.0 1.0
   73    56   -62    65   0.00000  1.0 1.0
   74    73    44    39   0.15000  1.0 3.0
   74    73    44    45   0.15000  1.0 3.0
   74    73    44    46   0.15000  1.0 3.0
   44    39   -43    48   0.09850  1.0 1.0
   44    39   -43    48   0.15250 -1.0 2.0
   44    39   -43    48  -0.50650  1.0 3.0
   44    39    43    50   0.46850  1.0 1.0
   44    39    43    50   0.08550 -1.0 2.0
   44    39    43    50   0.09800  1.0 3.0
   50    43    48    49   7.00000 -1.0 2.0
   50    43    48    56   7.00000 -1.0 2.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59   0.23400  1.0 3.0
   57    50    58    60   0.23400  1.0 3.0
   57    50    58    61   0.23400  1.0 3.0
   58    50    57    33   0.06250  1.0 1.0
   58    50    57    33  -0.01100 -1.0 2.0
   58    50    57    33   0.28050  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43  -0.28300  1.0 1.0
   41    38    39    43   0.26700 -1.0 2.0
   41    38    39    43  -0.63300  1.0 3.0
   41    38    39    44   0.09850  1.0 1.0
   41    38    39    44   0.15250 -1.0 2.0
   41    38    39    44  -0.50650  1.0 3.0
   41    47    52    53   0.08050  1.0 3.0
   41    47    52    54   0.08050  1.0 3.0
   41    47    52    55   0.08050  1.0 3.0
   42    41    47    52   2.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   39    50    43    48   1.10000 -1.0 2.0
   56    49    48    43   1.10000 -1.0 2.0
   73    48    56    62   1.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    81    69    68   4.00000 -1.0 2.0
   75    72    71    69   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    69   4.00000 -1.0 2.0
   83    81    82    70   1.00000 -1.0 2.0
   82    73    70    68   4.00000 -1.0 2.0
   42    47    41    38   1.10000 -1.0 2.0
END
