* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    148    217     428
    1     0 S   NP   _N1_     1    28.09495    97.48111   -18.81071
    2     1 S   H    _HN1     2     1.02768   107.18913  -159.20007
    3     1 S   H    _H1_     3     1.02819    67.69474   -55.79784
    4     1 S   H    _H2_     4     1.02977    42.08585   102.80654
    5     1 S   CT   _CA1     5     1.50680   138.08223    41.75200
    6     5 S   HC   _HA1     6     1.09655   104.45585   103.63574
    7     5 S   CO3  _C1_     7     1.54553   111.16109   -11.91350
    8     7 S   O2Z  _O11     8     1.25995   116.78054  -137.53267
    9     7 S   O2Z  _O12     9     1.26653   113.81902    41.92537
   10     5 S   CT   _CB1    10     1.53214   106.84874  -139.71655
   11    10 S   HC   HB11    11     1.09841   110.30763   -35.09827
   12    10 S   HC   HB12    12     1.09762   110.03553    81.63005
   13    10 S   CT   _CG1    13     1.52972   112.40631  -155.48509
   14    13 S   HC   HG11    14     1.09431   111.07711   -59.72863
   15    13 S   HC   HG12    15     1.09639   109.37324    59.34394
   16    13 S   C    _CD1    16     1.51822   112.23705  -179.84934
   17    16 S   O    _OE1    17     1.22784   123.18512    15.94235
   18    16 S   N    _N2_    18     1.38482   111.85685  -165.24323
   19    18 S   H    _HN2    19     1.01579   118.88256     6.79898
   20    18 S   CT1  _CA2    20     1.45812   123.01977  -179.85873
   21    20 S   HC   _HA2    21     1.09728   108.75323    28.22233
   22    20 S   C    _C2_    22     1.52972   107.00670   -88.85404
   23    22 S   O    _O2_    23     1.22988   123.10119   -27.82489
   24    20 S   CT   _CB2    32     1.53315   112.30706   151.47905
   25    24 S   HC   HB21    33     1.09480   109.52113    53.84206
   26    24 S   HC   HB22    34     1.09452   109.70703   172.52491
   27    22 S   N    _N3_    24     1.38536   112.61605   154.69307
   28    27 S   H    _HN3    25     1.01660   120.31455    -1.33925
   29    24 S   S    _SG2    35     1.83261   111.05200   -66.84287
   30    27 S   CT   _CA3    26     1.45337   122.36952   178.70669
   31    30 S   HC   HA31    27     1.09571   107.60157   -59.63481
   32    30 S   HC   HA32    28     1.09568   107.77565    56.63954
   33    29 S   CT   _C11    36     1.90329   101.51726  -176.60085
   34    33 S   OM   _O40    37     1.32073   105.87128    68.53513
   35    30 S   CO3  _C3_    29     1.52865   114.46901   178.51615
   36    35 S   O2Z  _O31    30     1.26315   116.12919    -2.31934
   37    35 S   O2Z  _O32    31     1.26459   114.38042   177.73428
   38    33 S   CA   _C12    38     1.56253   108.95710   -56.75342
   39    33 S   CM   _C10    69     1.54235   107.71086   178.99051
   40    39 S   HC   _H10    70     1.09460   114.00058    -7.06969
   41    38 S   CA   _C13    39     1.43576   121.55056   -71.52182
   42    39 S   CMA  _C9_    71     1.36124   131.99554   172.73999
   43    42 S   OM   _O41    72     1.26561   127.87302   179.35139
   44    41 S   CA   _C14    40     1.41710   119.92735  -176.32358
   45    44 S   HA   _H11    41     1.08849   119.66220   176.52999
   46    41 S   CT   _C18    50     1.52010   125.23162     1.58930
   47    46 S   HC   _H15    51     1.08808   114.33052    10.24703
   48    46 S   HC   _H16    52     1.09644   108.70975  -108.38672
   49    42 S   CT   _C8_    73     1.52588   121.34151     3.20302
   50    49 S   HC   _H8_    74     1.09404   110.79838    22.89607
   51    49 S   HC   _H9_    75     1.10009   111.37689   139.17012
   52    44 S   CA   _C15    42     1.38606   121.47800    -3.46724
   53    46 S   CO4  _C19    53     1.52209   113.49063   131.03687
   54    53 S   O    _O37    54     1.23202   120.57304   109.27598
   55    49 S   CO4  _C7_    76     1.53503   114.65764   -98.93181
   56    55 S   O    _O34    77     1.22961   122.89339   -20.19261
   57    52 S   CA   _C16    43     1.37930   120.09625    -0.10468
   58    57 S   HA   _H12    44     1.08645   119.52104  -178.75400
   59    52 S   OH   _O36    48     1.36497   121.34331  -179.97202
   60    59 S   HO   _H14    49     0.97276   108.37471    -0.68070
   61    53 S   CT   _C20    55     1.52979   116.28287   -73.15141
   62    61 S   HC   _H17    56     1.09718   108.13481    44.20130
   63    61 S   HC   _H18    57     1.09831   107.07958   -69.98358
   64    55 S   CT   _C6_    78     1.51778   114.92999   163.96314
   65    64 S   HC   _H6_    79     1.09502   107.51467    72.79939
   66    64 S   HC   _H7_    80     1.09500   107.82434   -44.56231
   67    38 S   CA   _C17    45     1.42869   122.62802   106.89562
   68    61 S   CMA  _C21    58     1.52619   113.54005   168.02406
   69    68 S   OM   _O39    59     1.26227   111.45440   -96.56310
   70    64 S   CO4  _C5_    81     1.51474   117.40604  -165.23449
   71    70 S   O    _O33    82     1.22915   123.86547    -6.33020
   72    67 S   OH   _O35    46     1.37445   121.18887    -3.06452
   73    72 S   HO   _H13    47     0.97064   109.85008  -179.20475
   74    68 S   CM   _C22    60     1.35156   116.09144    84.73778
   75    74 S   HC   _H19    61     1.08751   119.43247    -2.17933
   76    70 S   CT   _C4_    83     1.50793   115.73249   174.04556
   77    76 S   HC   _H3_    84     1.09272   109.58759    60.00264
   78    76 S   HC   _H4_    85     1.09282   109.59241   -61.09942
   79    76 S   HC   _H5_    86     1.09358   109.74085   179.49759
   80    74 S   CO4  _C23    62     1.49008   124.01427   178.50892
   81    80 S   O    _O38    63     1.22224   124.99148   -13.74679
   82    80 S   S    _S1_    64     1.76344   112.30080   166.79102
   83    82 S   CT   _C24    65     1.80544   100.24936   173.89973
   84    83 S   HC   _H20    66     1.09320   109.28266  -178.33470
   85    83 S   HC   _H21    67     1.09338   110.48327    62.35954
   86    83 S   HC   _H22    68     1.09326   110.63334   -58.91884
  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   8   5   4   3
  13   6   2   1   1  16   9   3  13   7   4  11   4  10   4   3
   8   4   3   6   7   4   7   4   6   3   2   1   7   4   3   8
   4   3   2   6   3   5   4   1   1   5   3   3   2   1   1   6
   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    57    67    72    46    39    40    42    43    49  
   38    41    67    39    40    42  
   36    37  
   37  
    0  
   41    44    45    52    57    58    67    72    73    46    47    48    53    39    40    42  
   40    42    43    49    50    51    55    41    67  
   42    43    49  
   44    45    52    57    67    72    59    46    47    48    53    54    61  
   43    49    50    51    55    56    64  
   49    50    51    55  
   45    52    57    58    67    59    60    46    47    48    53  
   52    57    59    46  
   47    48    53    54    61    62    63    68    52    67  
   48    53    54    61  
   53    54    61  
   50    51    55    56    64    65    66    70  
   51    55    56    64  
   55    56    64  
   57    58    67    72    59    60  
   54    61    62    63    68    69    74  
   61    62    63    68  
   56    64    65    66    70    71    76  
   64    65    66    70  
   58    67    72    73    59    60  
   67    72    59  
   60    67  
    0  
   62    63    68    69    74    75    80  
   63    68    69    74  
   68    69    74  
   65    66    70    71    76    77    78    79  
   66    70    71    76  
   70    71    76  
   72    73  
   69    74    75    80    81    82  
   74    75    80  
   71    76    77    78    79  
   76    77    78    79  
   73  
    0  
   75    80    81    82    83  
   80    81    82  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   83   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    67   469.000  1.400
   41    44   469.000  1.400
   41    46   317.000  1.510
   44    45   367.000  1.080
   44    52   469.000  1.400
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   57    67   469.000  1.400
   67    72   450.000  1.364
   72    73   553.000  0.945
   59    60   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.522
   53    54   570.000  1.229
   53    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   270.000  1.512
   68    69   745.000  1.250
   68    74   465.000  1.376
   74    75   340.000  1.080
   74    80   320.000  1.462
   80    81   570.000  1.229
   80    82   210.000  1.799
   82    83   222.000  1.810
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    67    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    67    57    63.00000  120.00000
   38    67    72    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    52    63.00000  120.00000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    53    70.00000  110.93000
   44    52    57    63.00000  120.00000
   44    52    59    70.00000  120.00000
   52    44    45    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    67    63.00000  120.00000
   52    59    60    35.00000  113.00000
   57    67    72    70.00000  120.00000
   67    38    41    63.00000  120.00000
   67    57    58    35.00000  120.00000
   67    72    73    35.00000  113.00000
   59    52    57    70.00000  120.00000
   46    41    44    70.00000  120.00000
   46    53    54    80.00000  120.40000
   46    53    61    70.00000  116.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    68    70.00000  109.06800
   61    53    54    80.00000  120.40000
   61    68    69    85.00000  112.85300
   61    68    74    65.00000  122.18000
   63    61    62    33.00000  107.80000
   68    61    62    45.00000  110.52000
   68    61    63    45.00000  110.52000
   68    74    75    40.00000  120.50800
   68    74    80    60.00000  125.92000
   74    68    69    65.00000  137.10300
   74    80    81    80.00000  123.72100
   74    80    82    65.00000  119.00000
   80    74    75    40.00000  117.72500
   80    82    83    90.00000   96.72000
   82    80    81    80.00000  121.30200
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    49    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    49    50    45.00000  110.52000
   42    49    51    45.00000  110.52000
   42    49    55    70.00000  109.06800
   49    42    43    85.00000  112.85300
   49    55    56    80.00000  120.40000
   49    55    64    70.00000  116.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    70    75.00000  107.99600
   64    55    56    80.00000  120.40000
   64    70    71    80.00000  120.40000
   64    70    76    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   76    70    71    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    67  -0.16000  1.0 1.0
   29    33    38    67  -0.03200 -1.0 2.0
   29    33    38    67   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    67    57   3.62500 -1.0 2.0
   33    38    67    72   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    49   7.00000 -1.0 2.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    67   0.64500  1.0 1.0
   34    33    38    67   0.14800 -1.0 2.0
   34    33    38    67   0.20650  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.39000  1.0 1.0
   34    33    39    42  -0.05800 -1.0 2.0
   34    33    39    42  -0.55150  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    52   3.62500 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.00000  1.0 1.0
   38    41    46    53   0.04300 -1.0 2.0
   38    67    72    73   0.84100 -1.0 2.0
   41    38    67    57   3.62500 -1.0 2.0
   41    38    67    72   3.62500 -1.0 2.0
   41    44   -52    57   3.62500 -1.0 2.0
   41    44    52    59   3.62500 -1.0 2.0
   41    46    53    54   0.30150 -1.0 2.0
   41    46    53    61   0.65300  1.0 1.0
   41    46    53    61  -0.03850 -1.0 2.0
   41    46    53    61   0.33900  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    41    46    48   0.00000  1.0 1.0
   44    41    46    53   0.04300 -1.0 2.0
   44    52    57    58   3.62500 -1.0 2.0
   44    52    57    67   3.62500 -1.0 2.0
   44    52    59    60   0.84100 -1.0 2.0
   45    44    52    57   3.62500 -1.0 2.0
   45    44    52    59   3.62500 -1.0 2.0
   52    57   -67    38   3.62500 -1.0 2.0
   52    57    67    72   3.62500 -1.0 2.0
   57    52    59    60   0.84100 -1.0 2.0
   57    67    72    73   0.84100 -1.0 2.0
   58    57    67    38   3.62500 -1.0 2.0
   58    57    67    72   3.62500 -1.0 2.0
   67    38   -41    44   3.62500 -1.0 2.0
   67    38    41    46   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    52    57    67   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    52   3.62500 -1.0 2.0
   46    53    61    62   0.00000  1.0 1.0
   46    53    61    63   0.00000  1.0 1.0
   46    53    61    68   0.65300  1.0 1.0
   46    53    61    68  -0.03850 -1.0 2.0
   46    53    61    68   0.33900  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    61   0.00000  1.0 1.0
   48    46    53    54   0.00000  1.0 1.0
   48    46    53    61   0.00000  1.0 1.0
   53    61    68    69   0.09700  1.0 1.0
   53    61    68    69   0.15600 -1.0 2.0
   53    61    68    69  -0.50800  1.0 3.0
   53    61    68    74  -0.51250  1.0 1.0
   53    61    68    74  -0.88800 -1.0 2.0
   53    61    68    74   0.08850  1.0 3.0
   54    53    61    62   0.00000  1.0 1.0
   54    53    61    63   0.00000  1.0 1.0
   54    53    61    68   0.30150 -1.0 2.0
   61    68    74    75   7.00000 -1.0 2.0
   61    68    74    80   7.00000 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    74   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    74   0.00000  1.0 1.0
   68    74    80    81   1.00000 -1.0 2.0
   68    74    80    82   0.50400  1.0 1.0
   68    74    80    82   1.60000 -1.0 2.0
   68    74    80    82  -0.01800  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    80   7.00000 -1.0 2.0
   74    80    82    83  -0.11550  1.0 1.0
   74    80    82    83   1.88700 -1.0 2.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.92800 -1.0 2.0
   80    82    83    84   0.24000  1.0 3.0
   80    82    83    85   0.24000  1.0 3.0
   80    82    83    86   0.24000  1.0 3.0
   81    80    82    83  -0.11550  1.0 1.0
   81    80    82    83   1.88700 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    67   0.18050 -1.0 2.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    51   0.00000  1.0 1.0
   39    42    49    55  -0.51250  1.0 1.0
   39    42    49    55  -0.88800 -1.0 2.0
   39    42    49    55   0.08850  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    49   7.00000 -1.0 2.0
   42    49    55    56   0.30150 -1.0 2.0
   42    49    55    64   0.65300  1.0 1.0
   42    49    55    64  -0.03850 -1.0 2.0
   42    49    55    64   0.33900  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.00000  1.0 1.0
   43    42    49    55   0.09700  1.0 1.0
   43    42    49    55   0.15600 -1.0 2.0
   43    42    49    55  -0.50800  1.0 3.0
   49    55    64    65   0.00000  1.0 1.0
   49    55    64    66   0.00000  1.0 1.0
   49    55    64    70   0.65300  1.0 1.0
   49    55    64    70  -0.03850 -1.0 2.0
   49    55    64    70   0.33900  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    64   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    64   0.00000  1.0 1.0
   55    64    70    71   0.30150 -1.0 2.0
   55    64    70    76   0.65300  1.0 1.0
   55    64    70    76  -0.03850 -1.0 2.0
   55    64    70    76   0.33900  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    70   0.30150 -1.0 2.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    76   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    76   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    67    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   52    45    44    41   1.10000 -1.0 2.0
   57    59    52    44   4.00000 -1.0 2.0
   67    58    57    52   1.10000 -1.0 2.0
   57    72    67    38   4.00000 -1.0 2.0
   46    61    53    54  10.50000 -1.0 2.0
   61    69    68    74  15.00000 -1.0 2.0
   80    75    74    68  15.00000 -1.0 2.0
   74    82    80    81  10.50000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   49    43    42    39  15.00000 -1.0 2.0
   49    64    55    56  10.50000 -1.0 2.0
   64    76    70    71  10.50000 -1.0 2.0
END
