* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    154    243     451
    1     0 S   NP   _N1_     1    28.70355    95.19448   -20.85581
    2     1 S   H    _HN1     2     1.02779    85.77553   -70.55784
    3     1 S   H    _H1_     3     1.02961    89.88663    37.82530
    4     1 S   H    _H2_     4     1.02838    34.67222   159.03530
    5     1 S   CT   _CA1     5     1.50112   145.30081   165.38040
    6     5 S   HC   _HA1     6     1.09574   105.24850    55.32268
    7     5 S   CO3  _C1_     7     1.53802   112.36095   -64.91661
    8     7 S   O2Z  _O11     8     1.26357   115.00617   -44.53943
    9     7 S   O2Z  _O12     9     1.26239   114.91188   134.63108
   10     5 S   CT   _CB1    10     1.53090   107.43399   173.23859
   11    10 S   HC   HB11    11     1.09821   109.38071   -50.78389
   12    10 S   HC   HB12    12     1.09823   110.39789    65.78162
   13    10 S   CT   _CG1    13     1.52995   112.64841  -171.90401
   14    13 S   HC   HG11    14     1.09604   110.36454   -62.53382
   15    13 S   HC   HG12    15     1.09640   110.07500    56.68937
   16    13 S   C    _CD1    16     1.51800   112.29072   177.05862
   17    16 S   O    _OE1    17     1.22718   123.25972    -5.33741
   18    16 S   N    _N2_    18     1.38588   111.58300   174.84474
   19    18 S   H    _HN2    19     1.01590   119.02917     1.50688
   20    18 S   CT1  _CA2    20     1.46185   123.48919  -177.71784
   21    20 S   HC   _HA2    21     1.09738   109.33200   -12.52623
   22    20 S   C    _C2_    22     1.53453   108.41456  -128.13090
   23    22 S   O    _O2_    23     1.23010   122.26825  -147.21601
   24    20 S   CT   _CB2    32     1.53633   111.36736   109.51818
   25    24 S   HC   HB21    33     1.09213   109.54840    56.48152
   26    24 S   HC   HB22    34     1.09502   109.68130   174.62714
   27    22 S   N    _N3_    24     1.38529   113.39186    40.31838
   28    27 S   H    _HN3    25     1.01520   118.87507    -0.71244
   29    24 S   S    _SG2    35     1.83302   111.24575   -66.82110
   30    27 S   CT   _CA3    26     1.45444   123.46863   175.00276
   31    30 S   HC   HA31    27     1.09522   109.25551    24.10489
   32    30 S   HC   HA32    28     1.09495   107.11923   141.11965
   33    29 S   CT   _C19    36     1.92006   103.92969   155.01425
   34    30 S   CO3  _C3_    29     1.52923   113.09846   -99.37947
   35    34 S   O2Z  _O31    30     1.26403   115.40146   -44.26930
   36    34 S   O2Z  _O32    31     1.26354   114.98282   136.66102
   37    33 S   CM   _C10    37     1.50943   109.03658    35.42306
   38    37 S   HC   _H26    38     1.09067   116.92257    24.29953
   39    33 S   CM   _C13    69     1.56244   102.76970   152.10262
   40    37 S   CMA  _C11    39     1.35008   126.65363  -156.93517
   41    40 S   OM   _O21    40     1.26692   124.68374   177.43135
   42    39 S   CT   _C21    70     1.51796   116.52013   -78.59142
   43    42 S   HC   _H37    71     1.09468   110.29634   -84.14117
   44    42 S   HC   _H38    72     1.09352   112.74314   154.35745
   45    42 S   HC   _H39    73     1.09472   111.57512    36.34762
   46    40 S   CA   _C4_    41     1.52163   113.96353    -4.12483
   47    46 S   CA   _C5_    42     1.43873   120.98492    25.66183
   48    47 S   CA   _C9_    43     1.41523   118.31959   171.56280
   49    33 S   CT   _C18    61     1.59071   112.44310   -87.10528
   50    48 S   CA   _C7_    44     1.38276   120.19540     6.14637
   51    48 S   OH   _O24    59     1.36489   122.06879  -172.44407
   52    51 S   HO   _H47    60     0.97362   108.13045   179.18052
   53    49 S   CT   _C16    62     1.55716   106.40912   -65.81830
   54    53 S   HC   _H31    63     1.09409   112.80243   173.61930
   55    53 S   HC   _H32    64     1.09802   109.82446    59.59104
   56    49 S   CT   _C23    78     1.54905   114.64955    52.13216
   57    56 S   HC   _H43    79     1.09296   112.11724   -64.64766
   58    56 S   HC   _H44    80     1.09741   111.07759   176.92209
   59    56 S   HC   _H45    81     1.09502   112.33687    57.78651
   60    50 S   CA   _C6_    45     1.37359   121.86840    -2.31756
   61    53 S   CT   _C15    65     1.52463   113.02908   -61.16603
   62    61 S   HC   _H29    66     1.09619   109.71842   -81.63773
   63    61 S   HC   _H30    67     1.09747   108.08152   162.86897
   64    46 S   CA   _C8_    46     1.42620   120.41359  -156.83739
   65    60 S   CT   _C14    49     1.48049   109.63037  -177.44319
   66    65 S   HC   _H27    50     1.09515   110.13188   104.02324
   67    65 S   HC   _H28    51     1.09352   113.48456  -132.31727
   68    61 S   CM   _C12    68     1.50855   114.75331    40.74575
   69    64 S   OH   _O23    47     1.37061   123.60573     4.43239
   70    69 S   HO   _H46    48     0.97525   107.44853    -5.37017
   71    65 S   CT   _C17    52     1.53492    99.16739   -13.95134
   72    71 S   HC   _H33    53     1.09866   110.18751   -95.19405
   73    68 S   CT   _C20    74     1.50859   112.67785   173.83204
   74    73 S   HC   _H34    75     1.09454   110.11307   -76.48785
   75    73 S   HC   _H35    76     1.09251   113.56136   161.39834
   76    73 S   HC   _H36    77     1.09594   110.17033    42.79022
   77    50 S   OS   _O22    54     1.37294   124.49091   179.05913
   78    71 S   CT   _C22    55     1.51982   112.60253   142.51250
   79    78 S   HC   _H40    56     1.09552   111.00030   -61.63903
   80    78 S   HC   _H41    57     1.09523   110.32286  -179.56299
   81    78 S   HC   _H42    58     1.09401   111.24028    59.70810
  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
  23   2   1   1  12   5  17   8   3   7   3   2   1  12  17  11
  14  12   3   1  11   6   5   4   2   1   1  10   7   3   2   7
  10   5   4   4   1   1   6   5   3   2   1   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    49    53    68    39    42    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    49    53    54    55    61    68    39    42    43    44    45    73    56    57    58    59  
   35    36  
   36  
    0  
   38    40    41    46    47    64    49    53    68    39    42    56  
   40    41    46    49    39  
   42    43    44    45    73    74    75    76    56    40    47    49    53    61    62    63    68  
   41    46    47    48    60    64    69    49  
   46    47    64  
   43    44    45    73    49    61    68  
   44    45    68  
   45    68  
   68  
   47    48    50    60    64    69    70    65    51    49    53    56  
   48    50    60    64    69    77    51    52    49    53    54    55    61    56    57    58    59  
   50    60    64    65    71    77    51    52    49    53    56  
   53    54    55    61    62    63    68    56    57    58    59    50    51    64  
   60    64    69    65    66    67    71    72    77    78    51    52  
   52    60    77  
    0  
   54    55    61    62    63    68    73    56    57    58    59  
   55    61    62    63    68    56  
   61    62    63    68    56  
   57    58    59    61  
   58    59  
   59  
    0  
   64    69    70    65    66    67    71    72    77    78  
   62    63    68    73    74    75    76  
   63    68    73  
   68    73  
   69    70    65    66    67    71    77  
   66    67    71    72    77    78    79    80    81    69  
   67    71    72    77    78  
   71    72    77    78  
   73    74    75    76  
   70  
    0  
   72    77    78    79    80    81  
   77    78    79    80    81  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.005000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    49   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   320.000  1.460
   46    47   469.000  1.400
   46    64   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    60   469.000  1.400
   50    77   450.000  1.364
   60    64   469.000  1.400
   60    65   317.000  1.510
   64    69   450.000  1.364
   69    70   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    77   320.000  1.410
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   51    52   553.000  0.945
   49    53   268.000  1.529
   49    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   317.000  1.510
   68    39   549.000  1.340
   68    73   317.000  1.510
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    49    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    47    70.00000  112.17500
   33    49    53    58.35000  112.70000
   33    49    56    58.35000  112.70000
   33    39    68    70.00000  124.00000
   33    39    42    65.00000  117.92700
   37    40    41    65.00000  137.10300
   37    40    46    60.00000  123.20500
   40    37    38    40.00000  120.50800
   40    46    47    60.00000  120.93500
   40    46    64    60.00000  120.93500
   46    40    41    85.00000  114.86500
   46    47    48    63.00000  120.00000
   46    47    49    70.00000  120.00000
   46    64    60    63.00000  120.00000
   46    64    69    70.00000  120.00000
   47    48    50    63.00000  120.00000
   47    48    51    70.00000  120.00000
   47    49    53    70.00000  112.17500
   47    49    56    70.00000  112.17500
   48    50    60    63.00000  120.00000
   48    50    77    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    60    64    63.00000  120.00000
   50    60    65    70.00000  120.00000
   50    77    71    75.00000  111.00000
   60    64    69    70.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    71    70.00000  112.17500
   64    46    47    63.00000  120.00000
   64    69    70    35.00000  113.00000
   65    60    64    70.00000  120.00000
   65    71    72    37.50000  110.70000
   65    71    77    50.00000  109.50000
   65    71    78    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   77    50    60    70.00000  120.00000
   77    71    72    35.00000  109.50000
   78    71    72    37.50000  110.70000
   78    71    77    50.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   51    48    50    70.00000  120.00000
   49    33    37    70.00000  112.02700
   49    47    48    70.00000  120.00000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    68    70.00000  112.02700
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    68    39    70.00000  124.00000
   61    68    73    65.00000  117.92700
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    39    42    70.00000  124.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   39    33    37    70.00000  110.12100
   39    33    49    70.00000  112.02700
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   73    68    39    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   56    49    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
   29    33    49    47   0.20000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   29    33    49    56   0.44750  1.0 1.0
   29    33    49    56  -0.17800 -1.0 2.0
   29    33    49    56   0.20200  1.0 3.0
   29    33    39    68   0.42700  1.0 1.0
   29    33    39    68  -0.70350 -1.0 2.0
   29    33    39    68  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    49    53    54   0.15000  1.0 3.0
   33    49    53    55   0.15000  1.0 3.0
   33    49    53    61   0.56750  1.0 1.0
   33    49    53    61  -0.07550 -1.0 2.0
   33    49    53    61   0.20000  1.0 3.0
   33    49    56    57   0.15000  1.0 3.0
   33    49    56    58   0.15000  1.0 3.0
   33    49    56    59   0.15000  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   37    33    49    47   0.21200  1.0 1.0
   37    33    49    47   0.16900 -1.0 2.0
   37    33    49    47  -1.15100  1.0 3.0
   37    33    49    53   0.34400  1.0 1.0
   37    33    49    53   0.09450 -1.0 2.0
   37    33    49    53   0.11100  1.0 3.0
   37    33    49    56   0.34400  1.0 1.0
   37    33    49    56   0.09450 -1.0 2.0
   37    33    49    56   0.11100  1.0 3.0
   37    33    39    68  -0.28300  1.0 1.0
   37    33    39    68   0.26700 -1.0 2.0
   37    33    39    68  -0.63300  1.0 3.0
   37    33    39    42   0.09700  1.0 1.0
   37    33    39    42   0.15600 -1.0 2.0
   37    33    39    42  -0.50800  1.0 3.0
   37    40   -46    47   0.15800  1.0 1.0
   37    40   -46    47   1.85350 -1.0 2.0
   37    40   -46    47  -0.48700  1.0 3.0
   37    40    46    64   0.15800  1.0 1.0
   37    40    46    64   1.85350 -1.0 2.0
   37    40    46    64  -0.48700  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   3.62500 -1.0 2.0
   40    46    47    49   3.62500 -1.0 2.0
   40    46    64    60   3.62500 -1.0 2.0
   40    46    64    69   3.62500 -1.0 2.0
   41    40    46    47  -0.01750  1.0 1.0
   41    40    46    47  -0.32000 -1.0 2.0
   41    40    46    47   0.00600  1.0 3.0
   41    40    46    64  -0.01750  1.0 1.0
   41    40    46    64  -0.32000 -1.0 2.0
   41    40    46    64   0.00600  1.0 3.0
   46    47    48    50   3.62500 -1.0 2.0
   46    47    48    51   3.62500 -1.0 2.0
   46    47   -49    33   0.04150 -1.0 2.0
   46    47    49    53   0.04150 -1.0 2.0
   46    47    49    56   0.04150 -1.0 2.0
   46    64    69    70   0.84100 -1.0 2.0
   47    46    64    60   3.62500 -1.0 2.0
   47    46    64    69   3.62500 -1.0 2.0
   47    48   -50    60   3.62500 -1.0 2.0
   47    48    50    77   3.62500 -1.0 2.0
   47    48    51    52   0.84100 -1.0 2.0
   47    49    53    54   0.43200  1.0 3.0
   47    49    53    55   0.43200  1.0 3.0
   47    49    53    61  -0.03700  1.0 1.0
   47    49    53    61   0.37200 -1.0 2.0
   47    49    53    61  -0.47300  1.0 3.0
   47    49    56    57   0.43200  1.0 3.0
   47    49    56    58   0.43200  1.0 3.0
   47    49    56    59   0.43200  1.0 3.0
   48    47    49    33   0.04150 -1.0 2.0
   48    47    49    53   0.04150 -1.0 2.0
   48    47    49    56   0.04150 -1.0 2.0
   48    50    60    64   3.62500 -1.0 2.0
   48    50    60    65   3.62500 -1.0 2.0
   48    50    77    71   1.63200 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   50    60   -64    46   3.62500 -1.0 2.0
   50    60    64    69   3.62500 -1.0 2.0
   50    60    65    66   0.00000  1.0 1.0
   50    60    65    67   0.00000  1.0 1.0
   50    60   -65    71   0.04150 -1.0 2.0
   60    50   -77    71   1.63200 -1.0 2.0
   60    64    69    70   0.84100 -1.0 2.0
   60    65    71    72   0.43200  1.0 3.0
   60    65   -71    77  -0.64350  1.0 1.0
   60    65   -71    77  -0.04200 -1.0 2.0
   60    65   -71    77   0.19800  1.0 3.0
   60    65    71    78  -0.03700  1.0 1.0
   60    65    71    78   0.37200 -1.0 2.0
   60    65    71    78  -0.47300  1.0 3.0
   64    46   -47    48   3.62500 -1.0 2.0
   64    46    47    49   3.62500 -1.0 2.0
   64    60    65    66   0.00000  1.0 1.0
   64    60    65    67   0.00000  1.0 1.0
   64    60    65    71   0.04150 -1.0 2.0
   65    60    64    46   3.62500 -1.0 2.0
   65    60    64    69   3.62500 -1.0 2.0
   65    71   -77    50  -0.32850  1.0 1.0
   65    71   -77    50  -0.35800 -1.0 2.0
   65    71   -77    50   0.33950  1.0 3.0
   65    71    78    79   0.15000  1.0 3.0
   65    71    78    80   0.15000  1.0 3.0
   65    71    78    81   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    77   0.23400  1.0 3.0
   66    65    71    78   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    77   0.23400  1.0 3.0
   67    65    71    78   0.15000  1.0 3.0
   72    71    77    50   0.08050  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   77    50    60    64   3.62500 -1.0 2.0
   77    50   -60    65   3.62500 -1.0 2.0
   77    71    78    79   0.23400  1.0 3.0
   77    71    78    80   0.23400  1.0 3.0
   77    71    78    81   0.23400  1.0 3.0
   78    71    77    50  -0.32850  1.0 1.0
   78    71    77    50  -0.35800 -1.0 2.0
   78    71    77    50   0.33950  1.0 3.0
   51    48    50    60   3.62500 -1.0 2.0
   51    48    50    77   3.62500 -1.0 2.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    39    68   0.09850  1.0 1.0
   49    33    39    68   0.15250 -1.0 2.0
   49    33    39    68  -0.50650  1.0 3.0
   49    33    39    42   0.46850  1.0 1.0
   49    33    39    42   0.08550 -1.0 2.0
   49    33    39    42   0.09800  1.0 3.0
   49    47    48    50   3.62500 -1.0 2.0
   49    47    48    51   3.62500 -1.0 2.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    63   0.15000  1.0 3.0
   49    53   -61    68   0.34400  1.0 1.0
   49    53   -61    68   0.09450 -1.0 2.0
   49    53   -61    68   0.11100  1.0 3.0
   53    49    56    57   0.15000  1.0 3.0
   53    49    56    58   0.15000  1.0 3.0
   53    49    56    59   0.15000  1.0 3.0
   53    61    68    39   0.09850  1.0 1.0
   53    61    68    39   0.15250 -1.0 2.0
   53    61    68    39  -0.50650  1.0 3.0
   53    61    68    73   0.46850  1.0 1.0
   53    61    68    73   0.08550 -1.0 2.0
   53    61    68    73   0.09800  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    68   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    68   0.15000  1.0 3.0
   61    68   -39    33   7.00000 -1.0 2.0
   61    68    39    42   7.00000 -1.0 2.0
   61    68    73    74   0.34800  1.0 3.0
   61    68    73    75   0.34800  1.0 3.0
   61    68    73    76   0.34800  1.0 3.0
   62    61    68    39   0.00000  1.0 1.0
   62    61    68    73   0.34800  1.0 3.0
   63    61    68    39   0.00000  1.0 1.0
   63    61    68    73   0.34800  1.0 3.0
   68    39    42    43   0.00000  1.0 1.0
   68    39    42    44   0.00000  1.0 1.0
   68    39    42    45   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    49    47   0.21200  1.0 1.0
   39    33    49    47   0.16900 -1.0 2.0
   39    33    49    47  -1.15100  1.0 3.0
   39    33   -49    53   0.34400  1.0 1.0
   39    33   -49    53   0.09450 -1.0 2.0
   39    33   -49    53   0.11100  1.0 3.0
   39    33    49    56   0.34400  1.0 1.0
   39    33    49    56   0.09450 -1.0 2.0
   39    33    49    56   0.11100  1.0 3.0
   39    68    73    74   0.00000  1.0 1.0
   39    68    73    75   0.00000  1.0 1.0
   39    68    73    76   0.00000  1.0 1.0
   73    68    39    33   7.00000 -1.0 2.0
   73    68    39    42   7.00000 -1.0 2.0
   56    49    53    54   0.15000  1.0 3.0
   56    49    53    55   0.15000  1.0 3.0
   56    49    53    61   0.56750  1.0 1.0
   56    49    53    61  -0.07550 -1.0 2.0
   56    49    53    61   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   47    64    46    40   4.00000 -1.0 2.0
   48    49    47    46   4.00000 -1.0 2.0
   50    51    48    47   4.00000 -1.0 2.0
   60    77    50    48   4.00000 -1.0 2.0
   64    65    60    50   4.00000 -1.0 2.0
   60    69    64    46   4.00000 -1.0 2.0
   61    73    68    39   1.10000 -1.0 2.0
   33    42    39    68   1.10000 -1.0 2.0
END
