* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    160    221     459
    1     0 S   NP   _N1_     1    28.28891    96.20137   -22.89689
    2     1 S   H    _HN1     2     1.02775   102.06025  -107.00695
    3     1 S   H    _H1_     3     1.02959    79.21261    -0.32924
    4     1 S   H    _H2_     4     1.02835    32.42403   148.51199
    5     1 S   CT   _CA1     5     1.50125   138.03086   108.21524
    6     5 S   HC   _HA1     6     1.09576   105.21239    80.86193
    7     5 S   CO3  _C1_     7     1.53808   112.46237   -39.29138
    8     7 S   O2Z  _O11     8     1.26369   114.97965   -41.98549
    9     7 S   O2Z  _O12     9     1.26249   114.94504   137.17410
   10     5 S   CT   _CB1    10     1.53110   107.42572  -161.22256
   11    10 S   HC   HB11    11     1.09821   109.36059   -50.85739
   12    10 S   HC   HB12    12     1.09815   110.41430    65.74558
   13    10 S   CT   _CG1    13     1.52956   112.58758  -171.95241
   14    13 S   HC   HG11    14     1.09569   110.32969   -64.83605
   15    13 S   HC   HG12    15     1.09659   109.94986    54.30423
   16    13 S   C    _CD1    16     1.51825   112.51866   174.89217
   17    16 S   O    _OE1    17     1.22722   123.30281     1.17620
   18    16 S   N    _N2_    18     1.38471   111.50214  -179.06875
   19    18 S   H    _HN2    19     1.01528   118.97592     5.74685
   20    18 S   CT1  _CA2    20     1.45867   123.39857   178.03616
   21    20 S   HC   _HA2    21     1.09697   109.17945    18.72324
   22    20 S   C    _C2_    22     1.52866   106.25015   -98.38077
   23    22 S   O    _O2_    23     1.23038   122.75998   -32.18388
   24    20 S   CT   _CB2    32     1.53168   111.80395   142.12917
   25    24 S   HC   HB21    33     1.09541   110.04207    51.43938
   26    24 S   HC   HB22    34     1.09180   109.68139   170.14793
   27    22 S   N    _N3_    24     1.38479   112.81352   149.82898
   28    27 S   H    _HN3    25     1.01656   120.20080     1.56598
   29    24 S   S    _SG2    35     1.82895   110.68575   -70.12030
   30    27 S   CT   _CA3    26     1.45395   122.51932   178.80270
   31    30 S   HC   HA31    27     1.09554   107.05191   -75.97090
   32    30 S   HC   HA32    28     1.09570   108.49883    40.43505
   33    29 S   CT   _C13    36     1.85414   100.60524   154.76730
   34    33 S   HC   _H8_    37     1.09631   106.11239   -38.12765
   35    30 S   CO3  _C3_    29     1.52905   114.60480   162.87294
   36    35 S   O2Z  _O31    30     1.26297   116.28336     0.60036
   37    35 S   O2Z  _O32    31     1.26513   114.32854  -179.13272
   38    33 S   CT   _C14    38     1.54518   107.62907  -154.65390
   39    38 S   HC   _H9_    39     1.09773   109.92849   -55.79125
   40    38 S   CT   _C9_    40     1.53995   112.16526  -177.27883
   41    40 S   HC   _H4_    41     1.09633   108.05365   176.59021
   42    38 S   OH   _O39    88     1.43223   109.87899    62.03879
   43    42 S   HO   _H17    89     0.97224   107.67932   174.81874
   44    40 S   CT   _C10    42     1.52695   110.55283    55.66586
   45    44 S   HC   _H5_    43     1.09516   111.34792  -177.49228
   46    40 S   OS   _O38    61     1.42493   108.25082   -65.84329
   47    44 S   CT   _C11    44     1.53269   111.15177   -56.10775
   48    47 S   HC   _H6_    45     1.09657   109.57302   -65.34424
   49    44 S   OH   _O48    59     1.43037   108.73244    64.90767
   50    49 S   HO   _H19    60     0.97236   107.21993    68.74769
   51    46 S   P2   _P1_    62     1.63228   120.04509  -157.80674
   52    51 S   O2Z  _O37    63     1.51295   109.11004    50.40871
   53    51 S   O2Z  _O36    64     1.51120   109.16043   -83.76842
   54    33 S   CT   _C12    46     1.54788   111.87550    82.23169
   55    54 S   HC   _H7_    47     1.09673   110.93519    51.33013
   56    47 S   OS   _O44    53     1.42462   107.78854   175.98546
   57    51 S   OS   _O35    65     1.63327    98.92068   162.85613
   58    54 S   OS   _O40    48     1.43318   108.72899   -69.12551
   59    56 S   P2   _P3_    54     1.62809   120.58734   107.46505
   60    59 S   O2Z  _O47    55     1.51246   108.41910   -94.13423
   61    59 S   O2Z  _O45    56     1.51146   110.92755    41.49157
   62    57 S   CT   _C8_    66     1.42390   119.30042    60.72250
   63    62 S   HC   _H15    67     1.09400   109.60502   -33.75631
   64    62 S   HC   _H16    68     1.09462   108.64135    84.28788
   65    58 S   P3   _P2_    49     1.65254   121.10048   129.50591
   66    65 S   O2Z  _O42    50     1.52582   103.25389  -167.33759
   67    65 S   O2Z  _O43    51     1.52470   105.43008    73.28694
   68    65 S   O2Z  _O41    52     1.52544   105.30358   -47.71212
   69    59 S   OS   _O46    57     1.63232    97.12878   153.91842
   70    69 S   HO   _H18    58     0.98610   113.71854   -60.17368
   71    62 S   CT   _C7_    69     1.52969   109.24161  -154.58361
   72    71 S   HC   _H3_    70     1.09707   110.65904   176.52002
   73    71 S   CT   _C6_    71     1.53023   111.54835   -61.60382
   74    73 S   HC   _H13    72     1.09627   110.95469    70.06454
   75    73 S   HC   _H14    73     1.09580   110.45864   -52.36967
   76    71 S   OS   _O49    81     1.44907   109.38190    56.27865
   77    73 S   OS   _O34    74     1.44086   108.07028  -171.19235
   78    76 S   CO4  _C15    82     1.36049   117.91773    78.30972
   79    78 S   O    _O50    83     1.22316   126.37048     4.03895
   80    77 S   CO4  _C5_    75     1.36235   115.56993  -180.00000
   81    80 S   O    _O33    76     1.22333   126.29082    -0.56232
   82    78 S   CT   _C16    84     1.49836   109.68229  -177.67662
   83    82 S   HC   _H20    85     1.09209   109.69414   -89.15639
   84    82 S   HC   _H21    86     1.09225   109.11836   150.10512
   85    82 S   HC   _H22    87     1.09384   110.46091    32.25712
   86    80 S   CT   _C4_    77     1.49843   109.57910   179.52481
   87    86 S   HC   _H10    78     1.09293   109.83615   -60.64310
   88    86 S   HC   _H11    79     1.09381   109.35947  -179.66254
   89    86 S   HC   _H12    80     1.09289   109.83454    61.27408
  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  10   5   4   3
  16   8   2   1   1  14   7  16   7   4   1  12   7   7  12   6
   3   1   7   3   2   8   3   6   7   4   4   3   2  10   5   4
   3   2   1   1   1   1  10   6   8   4   3   7   6   5   4   5
   4   3   2   1   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    54    55    58    65    56    46    42    43  
   38    39    40    47    54    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    54    55    58    49    46    51    42    43  
   40    41    44    54    46    42    43  
   41    44    45    47    48    54    56    49    50    46    51    52    53    57    42    43  
   44    45    47    49    46    51    42  
   43    44    46    54  
    0  
   45    47    48    54    55    58    56    59    49    50    46    51  
   47    48    54    56    49    50    46  
   51    52    53    57    62    47    49  
   48    54    55    58    65    56    59    60    61    69    49    50  
   54    55    58    56    59    49  
   50    54    56  
    0  
   52    53    57    62    63    64    71  
   53    57    62  
   57    62  
   55    58    65    66    67    68    56    59  
   58    65    56  
   59    60    61    69    70    58  
   62    63    64    71    72    73    76  
   65    66    67    68  
   60    61    69    70  
   61    69    70  
   69    70  
   63    64    71    72    73    74    75    77    76    78  
   64    71    72    73    76  
   71    72    73    76  
   66    67    68  
   67    68  
   68  
    0  
   70  
    0  
   72    73    74    75    77    80    76    78    79    82  
   73    74    75    77    76    78  
   74    75    77    80    81    86    76    78  
   75    77    80    76  
   77    80    76  
   78    79    82    83    84    85    77  
   80    81    86    87    88    89  
   79    82    83    84    85  
   82    83    84    85  
   81    86    87    88    89  
   86    87    88    89  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   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   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    58   320.000  1.410
   58    65   230.000  1.630
   65    66   525.000  1.516
   65    67   525.000  1.516
   65    68   525.000  1.516
   56    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    69   230.000  1.697
   69    70   553.000  0.945
   49    50   553.000  0.945
   46    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    57   230.000  1.697
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   320.000  1.410
   77    80   214.000  1.327
   80    81   570.000  1.229
   80    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    78   214.000  1.327
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    54    58.35000  112.70000
   44    47    56    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    58    50.00000  109.50000
   47    56    59   100.00000  120.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    58    65    80.00000  112.68000
   58    54    55    35.00000  109.50000
   58    65    66   100.00000  107.00000
   58    65    67   100.00000  107.00000
   58    65    68   100.00000  107.00000
   67    65    66   140.00000  114.00000
   68    65    66   140.00000  114.00000
   68    65    67   140.00000  114.00000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   56    59    60   100.00000  108.23000
   56    59    61   100.00000  108.23000
   56    59    69    45.00000  102.60000
   59    69    70    45.00000  108.50000
   61    59    60   140.00000  119.90000
   69    59    60   100.00000  108.23000
   69    59    61   100.00000  108.23000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  108.23000
   46    51    53   100.00000  108.23000
   46    51    57    45.00000  102.60000
   51    57    62   100.00000  120.50000
   53    51    52   140.00000  119.90000
   57    51    52   100.00000  108.23000
   57    51    53   100.00000  108.23000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    71    50.00000  109.50000
   62    71    72    37.50000  110.70000
   62    71    73    58.35000  112.70000
   62    71    76    50.00000  109.50000
   64    62    63    33.00000  107.80000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    77    50.00000  109.50000
   71    76    78    83.00000  116.90000
   73    71    72    37.50000  110.70000
   73    77    80    83.00000  116.90000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    80    81    83.00000  123.40000
   77    80    86    81.00000  111.40000
   80    86    87    35.00000  109.50000
   80    86    88    35.00000  109.50000
   80    86    89    35.00000  109.50000
   86    80    81    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    50.00000  109.50000
   76    78    79    83.00000  123.40000
   76    78    82    81.00000  111.40000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   82    78    79    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    58    65  -2.65550  1.0 1.0
   33    54    58    65  -0.22350 -1.0 2.0
   33    54    58    65   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    47   0.56750  1.0 1.0
   38    33    54    47  -0.07550 -1.0 2.0
   38    33    54    47   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    58   0.62750  1.0 1.0
   38    33    54    58  -0.30950 -1.0 2.0
   38    33    54    58   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    54   0.56750  1.0 1.0
   40    44    47    54  -0.07550 -1.0 2.0
   40    44    47    54   0.20000  1.0 3.0
   40    44    47    56   0.62750  1.0 1.0
   40    44    47    56  -0.30950 -1.0 2.0
   40    44    47    56   0.27300  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    57   0.05050  1.0 1.0
   40    46    51    57  -1.30700 -1.0 2.0
   40    46    51    57   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -54    33   0.56750  1.0 1.0
   44    47   -54    33  -0.07550 -1.0 2.0
   44    47   -54    33   0.20000  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    58   0.62750  1.0 1.0
   44    47    54    58  -0.30950 -1.0 2.0
   44    47    54    58   0.27300  1.0 3.0
   44    47    56    59  -2.65550  1.0 1.0
   44    47    56    59  -0.22350 -1.0 2.0
   44    47    56    59   0.24150  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   45    44    47    56   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    54    58    65  -2.65550  1.0 1.0
   47    54    58    65  -0.22350 -1.0 2.0
   47    54    58    65   0.24150  1.0 3.0
   47    56    59    60   0.00000  1.0 1.0
   47    56    59    61   0.00000  1.0 1.0
   47    56    59    69   0.05050  1.0 1.0
   47    56    59    69  -1.30700 -1.0 2.0
   47    56    59    69   0.91550  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    58   0.23400  1.0 3.0
   48    47    56    59   0.03000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    47    56    59  -2.65550  1.0 1.0
   54    47    56    59  -0.22350 -1.0 2.0
   54    47    56    59   0.24150  1.0 3.0
   54    58    65    66   0.00000  1.0 1.0
   54    58    65    67   0.00000  1.0 1.0
   54    58    65    68   0.00000  1.0 1.0
   55    54    58    65   0.03000  1.0 3.0
   56    47    54    33   0.62750  1.0 1.0
   56    47    54    33  -0.30950 -1.0 2.0
   56    47    54    33   0.27300  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    58   1.11900  1.0 1.0
   56    47    54    58  -1.16350 -1.0 2.0
   56    47    54    58  -0.34150  1.0 3.0
   56    59    69    70   0.00000  1.0 1.0
   60    59    69    70   0.00000  1.0 1.0
   61    59    69    70   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    54   0.86500  1.0 1.0
   49    44    47    54  -0.17500 -1.0 2.0
   49    44    47    54   0.20800  1.0 3.0
   49    44    47    56   3.69350  1.0 1.0
   49    44    47    56  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   46    51    57    62   0.05050  1.0 1.0
   46    51    57    62  -1.30700 -1.0 2.0
   46    51    57    62   0.91550  1.0 3.0
   51    57    62    63   0.03000  1.0 3.0
   51    57    62    64   0.03000  1.0 3.0
   51    57    62    71  -2.65550  1.0 1.0
   51    57    62    71  -0.22350 -1.0 2.0
   51    57    62    71   0.24150  1.0 3.0
   52    51    57    62   0.00000  1.0 1.0
   53    51    57    62   0.00000  1.0 1.0
   57    62    71    72   0.23400  1.0 3.0
   57    62    71    73   0.62750  1.0 1.0
   57    62    71    73  -0.30950 -1.0 2.0
   57    62    71    73   0.27300  1.0 3.0
   57    62    71    76   1.11900  1.0 1.0
   57    62    71    76  -1.16350 -1.0 2.0
   57    62    71    76  -0.34150  1.0 3.0
   62    71    73    74   0.15000  1.0 3.0
   62    71    73    75   0.15000  1.0 3.0
   62    71    73    77   0.62750  1.0 1.0
   62    71    73    77  -0.30950 -1.0 2.0
   62    71    73    77   0.27300  1.0 3.0
   62    71    76    78  -0.25900  1.0 1.0
   62    71    76    78  -0.47000 -1.0 2.0
   62    71    76    78   0.11750  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    71    76   0.23400  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.15000  1.0 3.0
   64    62    71    76   0.23400  1.0 3.0
   71    73    77    80  -0.25900  1.0 1.0
   71    73    77    80  -0.47000 -1.0 2.0
   71    73    77    80   0.11750  1.0 3.0
   71    76    78    79   3.00000 -1.0 2.0
   71    76    78    82   1.63150  1.0 1.0
   71    76    78    82   2.92000 -1.0 2.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    77   0.23400  1.0 3.0
   72    71    76    78   0.08050  1.0 3.0
   73    71    76    78  -0.25900  1.0 1.0
   73    71    76    78  -0.47000 -1.0 2.0
   73    71    76    78   0.11750  1.0 3.0
   73    77    80    81   3.00000 -1.0 2.0
   73    77    80    86   1.63150  1.0 1.0
   73    77    80    86   2.92000 -1.0 2.0
   74    73    77    80   0.08050  1.0 3.0
   75    73    77    80   0.08050  1.0 3.0
   77    80    86    87   0.00000  1.0 1.0
   77    80    86    88   0.00000  1.0 1.0
   77    80    86    89   0.00000  1.0 1.0
   81    80    86    87   0.00000  1.0 1.0
   81    80    86    88   0.00000  1.0 1.0
   81    80    86    89   0.00000  1.0 1.0
   76    71    73    74   0.23400  1.0 3.0
   76    71    73    75   0.23400  1.0 3.0
   76    71    73    77   1.11900  1.0 1.0
   76    71    73    77  -1.16350 -1.0 2.0
   76    71    73    77  -0.34150  1.0 3.0
   76    78    82    83   0.00000  1.0 1.0
   76    78    82    84   0.00000  1.0 1.0
   76    78    82    85   0.00000  1.0 1.0
   79    78    82    83   0.00000  1.0 1.0
   79    78    82    84   0.00000  1.0 1.0
   79    78    82    85   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   77    86    80    81  10.50000 -1.0 2.0
   76    82    78    79  10.50000 -1.0 2.0
END
