* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    162    278     487
    1     0 S   NP   _N1_     1    28.66892    95.96865   -23.54542
    2     1 S   H    _HN1     2     1.02950    74.64279    14.98320
    3     1 S   H    _H1_     3     1.02828    35.73381   169.58720
    4     1 S   H    _H2_     4     1.02784   104.90829   -90.37757
    5     1 S   CT   _CA1     5     1.50117   137.77410   118.58759
    6     5 S   HC   _HA1     6     1.09573   105.19736    88.28031
    7     5 S   CO3  _C1_     7     1.53787   112.43189   -31.94990
    8     7 S   O2Z  _O11     8     1.26372   115.00458   -43.03324
    9     7 S   O2Z  _O12     9     1.26238   114.94574   136.07010
   10     5 S   CT   _CB1    10     1.53079   107.41683  -153.75009
   11    10 S   HC   HB11    11     1.09832   109.37010   -49.78811
   12    10 S   HC   HB12    12     1.09813   110.44821    66.81449
   13    10 S   CT   _CG1    13     1.52992   112.61161  -170.77095
   14    13 S   HC   HG11    14     1.09583   110.61919   -65.49661
   15    13 S   HC   HG12    15     1.09669   109.79965    53.73532
   16    13 S   C    _CD1    16     1.51807   112.22370   174.17624
   17    16 S   O    _OE1    17     1.22733   123.29172     6.44159
   18    16 S   N    _N2_    18     1.38662   111.68422  -173.66859
   19    18 S   H    _HN2    19     1.01587   118.91977     1.68284
   20    18 S   CT1  _CA2    20     1.46160   123.35012   177.47013
   21    20 S   HC   _HA2    21     1.09735   109.36897     1.70926
   22    20 S   C    _C2_    22     1.53538   108.67041  -113.79620
   23    22 S   O    _O2_    23     1.23066   122.21585  -148.17716
   24    20 S   CT   _CB2    32     1.53357   111.64449   123.71675
   25    24 S   HC   HB21    33     1.09587   110.06765    56.22279
   26    24 S   HC   HB22    34     1.09419   109.99889   175.22365
   27    22 S   N    _N3_    24     1.38307   113.72028    39.26700
   28    27 S   H    _HN3    25     1.01593   119.58091    -3.41226
   29    24 S   S    _SG2    35     1.82818   111.59643   -64.60384
   30    27 S   CT   _CA3    26     1.45290   123.21167   177.09876
   31    30 S   HC   HA31    27     1.09549   107.51340   -64.45194
   32    30 S   HC   HA32    28     1.09557   107.97912    51.98366
   33    29 S   CT   _C17    36     1.84630    99.74413   176.50274
   34    33 S   HC   _H8_    37     1.09405   106.09199   -39.10846
   35    30 S   CO3  _C3_    29     1.52960   114.08243   173.97686
   36    35 S   O2Z  _O31    30     1.26377   116.06095    -0.70276
   37    35 S   O2Z  _O32    31     1.26428   114.41415   179.35928
   38    33 S   CT   _C16    38     1.52917   108.91124    80.09722
   39    38 S   HC   _H23    39     1.09490   111.03697   -59.87242
   40    38 S   HC   _H24    40     1.09333   113.48672    62.46507
   41    33 S   CT   _C18    75     1.53871   108.84441  -156.82453
   42    41 S   HC   _H9_    76     1.09530   108.01702   -44.36799
   43    38 S   NP   _N4_    41     1.49844   108.21133  -175.64320
   44    43 S   H    _H7_    42     1.02776   104.79456    52.07470
   45    41 S   OH   _O33    77     1.42880   108.90701    71.42743
   46    45 S   HO   _H25    78     0.97201   108.12261  -166.14615
   47    43 S   CT   _C15    43     1.51265   117.74295   166.28665
   48    47 S   HC   _H21    44     1.09533   107.16617   -43.06969
   49    47 S   HC   _H22    45     1.09577   106.39259  -157.50683
   50    47 S   CT   _C14    46     1.52268   114.71675    80.78113
   51    50 S   HC   _H19    47     1.09731   109.34629   -72.29802
   52    50 S   HC   _H20    48     1.09607   109.29282   171.59351
   53    50 S   CT   _C13    49     1.52819   112.55438    49.84303
   54    53 S   HC   _H17    50     1.09574   110.53778    64.73363
   55    53 S   HC   _H18    51     1.09571   109.34679  -177.02257
   56    53 S   CT   _C12    52     1.51849   107.05283   -56.96758
   57    56 S   HC   _H6_    53     1.09843   106.04641   -52.69231
   58    56 S   CT   _C11    54     1.53600   115.38320  -166.22240
   59    58 S   HC   _H5_    55     1.09510   111.10147    50.93828
   60    58 S   CT   _C10    56     1.51639   108.93721   173.34150
   61    60 S   HC   _H15    57     1.09204   113.45532   -47.32563
   62    60 S   HC   _H16    58     1.09804   110.26080  -168.62537
   63    60 S   CT   _C9_    59     1.51851    98.79328    75.97639
   64    63 S   HC   _H4_    60     1.09386   111.45558   160.75553
   65    63 S   CO4  _C19    61     1.51651    96.97345    46.18507
   66    65 S   O    _O35    62     1.21975   126.51642   148.07055
   67    63 S   C4T  _C8_    64     1.58073   110.52544   -73.90916
   68    58 S   OS   _O34    63     1.42730   113.19050   -72.38503
   69    67 S   C4T  _C5_    65     1.58596   110.13671   150.91692
   70    69 S   HC   _H3_    66     1.09883   112.32818    18.35786
   71    43 S   C4T  _C7_    70     1.51980   110.48669   -65.38932
   72    69 S   C4T  _C6_    67     1.55356    88.63910   -94.95981
   73    72 S   HC   _H13    68     1.09329   115.02969   100.58856
   74    72 S   HC   _H14    69     1.09616   114.25521  -137.39021
   75    69 S   CT   _C4_    71     1.52383   123.82045   144.91541
   76    75 S   HC   _H10    72     1.09016   113.38158    55.68931
   77    75 S   HC   _H11    73     1.09393   110.83843   -66.34808
   78    75 S   HC   _H12    74     1.09578   109.93172   175.34971
  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
  15   8   2   1   1  15   6   5  15   6  18   8   5   1  12   6
   5   9   5   4  11   5   4  15   7  12   7  10   6   5  10   6
   5   2  11   1   9   8   4   6   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    67    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    63    67    69    71    41    42    45    46  
   38    39    40    43    67    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    48    49    50    56    67    72    71    41    42    45  
   40    43    44    47    71    41  
   43    44    47    71    41  
   42    45    46    43    56    60    63    64    65    67    69    70    71    72    75  
   45    46    63    67    69    71  
   44    47    48    49    50    51    52    53    56    57    58    63    67    69    72    73    74    71  
   47    48    49    50    56    67    72    71  
   46    63    67    69    71  
   67  
   48    49    50    51    52    53    54    55    56    67    72    71  
   49    50    51    52    53    71  
   50    51    52    53    71  
   51    52    53    54    55    56    57    58    71  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    60    68    67    72    71  
   55    56    57    58    71  
   56    57    58    71  
   57    58    59    60    61    62    63    65    68    67    69    72    73    74    71  
   58    59    60    68    67    72    71  
   59    60    61    62    63    64    65    66    68    67    72    71  
   60    61    62    63    65    68    71  
   61    62    63    64    65    66    68    67    69    71  
   62    63    64    65    68    67  
   63    64    65    68    67  
   64    65    66    68    67    69    70    72    71    75  
   65    66    68    67    69    71  
   66    68    67    69    71  
   68    67  
   69    70    72    73    74    71    75    76    77    78    68  
   71  
   70    72    73    74    71    75    76    77    78  
   72    73    74    71    75    76    77    78  
   75    72    73    74  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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   1.6450   1.4500   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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   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   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   367.000  1.471
   43    44   434.000  1.010
   43    47   367.000  1.471
   43    71   367.000  1.471
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    71   260.000  1.519
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    68   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    67   260.000  1.519
   65    66   570.000  1.229
   65    68   214.000  1.327
   67    69   268.000  1.529
   67    71   268.000  1.529
   67    41   260.000  1.519
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    75   260.000  1.519
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    71   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   41    42   340.000  1.090
   41    45   320.000  1.410
   45    46   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    80.00000  111.20000
   33    41    67    70.00000  112.98000
   33    41    42    37.50000  110.70000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  109.50000
   38    43    47    75.00000  113.01200
   38    43    71    75.00000  113.01200
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    80.00000  111.20000
   43    71    56    80.00000  111.20000
   43    71    67    80.00000  111.20000
   43    71    72    80.00000  111.20000
   47    43    44    35.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    71    70.00000  112.98000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    58.35000  112.70000
   56    58    68    50.00000  109.50000
   56    71    67    65.00000  119.52000
   56    71    72    65.00000  119.52000
   58    56    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    58.35000  112.70000
   58    68    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    63.00000  111.10000
   60    63    67    70.00000  112.98000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    80.00000  120.40000
   63    65    68    81.00000  111.40000
   63    67    69    65.00000  119.52000
   63    67    71    65.00000  119.52000
   63    67    41    58.35000  112.70000
   65    63    64    35.00000  109.50000
   68    58    59    35.00000  109.50000
   68    58    60    50.00000  109.50000
   68    65    66    83.00000  123.40000
   67    63    64    45.00000  111.22300
   67    63    65    63.00000  111.10000
   67    69    70    37.50000  110.70000
   67    69    72    63.00000   92.00000
   67    69    75    65.00000  119.52000
   67    71    72    63.00000   92.00000
   67    41    42    45.00000  111.22300
   67    41    45    50.00000  109.50000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    71    63.00000   92.00000
   69    75    76    45.00000  111.22300
   69    75    77    45.00000  111.22300
   69    75    78    45.00000  111.22300
   72    69    70    37.50000  110.70000
   74    72    73    33.00000  107.80000
   71    43    44    35.00000  109.50000
   71    43    47    75.00000  113.01200
   71    56    57    45.00000  111.22300
   71    56    58    70.00000  112.98000
   71    67    69    63.00000   92.00000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   75    69    70    45.00000  112.72800
   75    69    72    65.00000  119.52000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    67    69    65.00000  119.52000
   41    67    71    65.00000  119.52000
   41    45    46    55.00000  108.50000
   45    41    42    35.00000  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    67   0.44750  1.0 1.0
   29    33    41    67  -0.17800 -1.0 2.0
   29    33    41    67   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.17350  1.0 3.0
   33    38    43    47   0.47100  1.0 1.0
   33    38    43    71   0.47100  1.0 1.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  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    43   0.19200  1.0 3.0
   34    33    41    67   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33    41    67   0.31550 -1.0 2.0
   38    33    41    67   0.11250  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    49   0.15000  1.0 3.0
   38    43    47    50   0.47100  1.0 1.0
   38    43    71    56   0.47100  1.0 1.0
   38    43   -71    67   0.47100  1.0 1.0
   38    43    71    72   0.47100  1.0 1.0
   39    38    43    44   0.13050  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    71   0.15000  1.0 3.0
   40    38    43    44   0.13050  1.0 3.0
   40    38    43    47   0.15000  1.0 3.0
   40    38    43    71   0.15000  1.0 3.0
   43    47    50    51   0.19200  1.0 3.0
   43    47    50    52   0.19200  1.0 3.0
   43    47    50    53   1.36600  1.0 1.0
   43    47    50    53  -0.11450 -1.0 2.0
   43    47    50    53   0.24250  1.0 3.0
   44    43    47    48   0.13050  1.0 3.0
   44    43    47    49   0.13050  1.0 3.0
   44    43    47    50   0.17350  1.0 3.0
   44    43    71    56   0.17350  1.0 3.0
   44    43    71    67   0.17350  1.0 3.0
   44    43    71    72   0.17350  1.0 3.0
   47    43    71    56   0.47100  1.0 1.0
   47    43    71    67   0.47100  1.0 1.0
   47    43    71    72   0.47100  1.0 1.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50   -53    56   0.56750  1.0 1.0
   47    50   -53    56  -0.07550 -1.0 2.0
   47    50   -53    56   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.56750  1.0 1.0
   50    53    56    58  -0.07550 -1.0 2.0
   50    53    56    58   0.20000  1.0 3.0
   50    53    56    71   0.31550 -1.0 2.0
   50    53    56    71   0.11250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.56750  1.0 1.0
   53    56    58    60  -0.07550 -1.0 2.0
   53    56    58    60   0.20000  1.0 3.0
   53    56    58    68   0.62750  1.0 1.0
   53    56    58    68  -0.30950 -1.0 2.0
   53    56    58    68   0.27300  1.0 3.0
   53    56   -71    43   1.36600  1.0 1.0
   53    56   -71    43  -0.11450 -1.0 2.0
   53    56   -71    43   0.24250  1.0 3.0
   53    56    71    67   0.04050  1.0 1.0
   53    56    71    67   0.63700 -1.0 2.0
   53    56    71    67   0.17650  1.0 3.0
   53    56    71    72   0.04050  1.0 1.0
   53    56    71    72   0.63700 -1.0 2.0
   53    56    71    72   0.17650  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    71   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    71   0.15000  1.0 3.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    62   0.15000  1.0 3.0
   56    58    60    63   0.56750  1.0 1.0
   56    58    60    63  -0.07550 -1.0 2.0
   56    58    60    63   0.20000  1.0 3.0
   56    58    68    65  -0.25900  1.0 1.0
   56    58    68    65  -0.47000 -1.0 2.0
   56    58    68    65   0.11750  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    68   0.23400  1.0 3.0
   57    56    71    43   0.19200  1.0 3.0
   57    56    71    67   0.00000  1.0 1.0
   57    56    71    72   0.00000  1.0 1.0
   58    56    71    43   1.36600  1.0 1.0
   58    56    71    43  -0.11450 -1.0 2.0
   58    56    71    43   0.24250  1.0 3.0
   58    56    71    67   0.04050  1.0 1.0
   58    56    71    67   0.63700 -1.0 2.0
   58    56    71    67   0.17650  1.0 3.0
   58    56    71    72   0.04050  1.0 1.0
   58    56    71    72   0.63700 -1.0 2.0
   58    56    71    72   0.17650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60   -63    65  -0.95700  1.0 1.0
   58    60   -63    65  -0.18200 -1.0 2.0
   58    60   -63    65   0.29450  1.0 3.0
   58    60   -63    67   0.31550 -1.0 2.0
   58    60   -63    67   0.11250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    68    65   0.08050  1.0 3.0
   60    58   -68    65  -0.25900  1.0 1.0
   60    58   -68    65  -0.47000 -1.0 2.0
   60    58   -68    65   0.11750  1.0 3.0
   60    63    65    66   0.30150 -1.0 2.0
   60    63   -65    68   0.36750  1.0 3.0
   60    63    67    69   0.04050  1.0 1.0
   60    63    67    69   0.63700 -1.0 2.0
   60    63    67    69   0.17650  1.0 3.0
   60    63    67    71   0.04050  1.0 1.0
   60    63    67    71   0.63700 -1.0 2.0
   60    63    67    71   0.17650  1.0 3.0
   60    63    67    41   0.56750  1.0 1.0
   60    63    67    41  -0.07550 -1.0 2.0
   60    63    67    41   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65  -0.11250  1.0 3.0
   61    60    63    67   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65  -0.11250  1.0 3.0
   62    60    63    67   0.15000  1.0 3.0
   63    65   -68    58   1.63150  1.0 1.0
   63    65   -68    58   2.92000 -1.0 2.0
   63    67    69    70   0.15000  1.0 3.0
   63    67    69    72  -0.70950  1.0 1.0
   63    67    69    72   0.38400 -1.0 2.0
   63    67    69    75   0.56750  1.0 1.0
   63    67    69    75  -0.07550 -1.0 2.0
   63    67    69    75   0.20000  1.0 3.0
   63    67    71    43   1.36600  1.0 1.0
   63    67    71    43  -0.11450 -1.0 2.0
   63    67    71    43   0.24250  1.0 3.0
   63    67   -71    56   0.56750  1.0 1.0
   63    67   -71    56  -0.07550 -1.0 2.0
   63    67   -71    56   0.20000  1.0 3.0
   63    67   -71    72  -0.70950  1.0 1.0
   63    67   -71    72   0.38400 -1.0 2.0
   63    67    41    33   0.56750  1.0 1.0
   63    67    41    33  -0.07550 -1.0 2.0
   63    67    41    33   0.20000  1.0 3.0
   63    67    41    42   0.15000  1.0 3.0
   63    67    41    45   0.86500  1.0 1.0
   63    67    41    45  -0.17500 -1.0 2.0
   63    67    41    45   0.20800  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   64    63    67    69   0.00000  1.0 1.0
   64    63    67    71   0.00000  1.0 1.0
   64    63    67    41   0.15000  1.0 3.0
   65    63    67    69  -0.95700  1.0 1.0
   65    63    67    69  -0.18200 -1.0 2.0
   65    63    67    69   0.29450  1.0 3.0
   65    63    67    71  -0.95700  1.0 1.0
   65    63    67    71  -0.18200 -1.0 2.0
   65    63    67    71   0.29450  1.0 3.0
   65    63    67    41  -0.95700  1.0 1.0
   65    63    67    41  -0.18200 -1.0 2.0
   65    63    67    41   0.29450  1.0 3.0
   66    65    68    58   3.00000 -1.0 2.0
   68    58    60    61   0.23400  1.0 3.0
   68    58    60    62   0.23400  1.0 3.0
   68    58   -60    63   0.62750  1.0 1.0
   68    58   -60    63  -0.30950 -1.0 2.0
   68    58   -60    63   0.27300  1.0 3.0
   67    63    65    66   0.30150 -1.0 2.0
   67    63    65    68   0.36750  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69   -72    71   0.00000  1.0 1.0
   67    69    75    76   0.00000  1.0 1.0
   67    69    75    77   0.00000  1.0 1.0
   67    69    75    78   0.00000  1.0 1.0
   67    41    45    46  -0.11600  1.0 1.0
   67    41    45    46  -0.09450 -1.0 2.0
   67    41    45    46   0.21250  1.0 3.0
   69    67    71    43   1.36600  1.0 1.0
   69    67    71    43  -0.11450 -1.0 2.0
   69    67    71    43   0.24250  1.0 3.0
   69    67    71    56  -0.70950  1.0 1.0
   69    67    71    56   0.38400 -1.0 2.0
   69    67   -71    72   0.00000  1.0 1.0
   69    67    41    33   0.04050  1.0 1.0
   69    67    41    33   0.63700 -1.0 2.0
   69    67    41    33   0.17650  1.0 3.0
   69    67    41    42   0.00000  1.0 1.0
   69    67    41    45   0.86500  1.0 1.0
   69    67    41    45  -0.17500 -1.0 2.0
   69    67    41    45   0.20800  1.0 3.0
   69    72   -71    43   1.36600  1.0 1.0
   69    72   -71    43  -0.11450 -1.0 2.0
   69    72   -71    43   0.24250  1.0 3.0
   69    72   -71    56  -0.70950  1.0 1.0
   69    72   -71    56   0.38400 -1.0 2.0
   69    72   -71    67   0.00000  1.0 1.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    71   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   72    69    75    76   0.00000  1.0 1.0
   72    69    75    77   0.00000  1.0 1.0
   72    69    75    78   0.00000  1.0 1.0
   73    72    71    43   0.19200  1.0 3.0
   73    72    71    56   0.15000  1.0 3.0
   73    72   -71    67   0.15000  1.0 3.0
   74    72    71    43   0.19200  1.0 3.0
   74    72    71    56   0.15000  1.0 3.0
   74    72   -71    67   0.15000  1.0 3.0
   71    43    47    48   0.15000  1.0 3.0
   71    43    47    49   0.15000  1.0 3.0
   71    43   -47    50   0.47100  1.0 1.0
   71    56    58    59   0.15000  1.0 3.0
   71    56   -58    60   0.31550 -1.0 2.0
   71    56   -58    60   0.11250  1.0 3.0
   71    56    58    68   0.62750  1.0 1.0
   71    56    58    68  -0.30950 -1.0 2.0
   71    56    58    68   0.27300  1.0 3.0
   71    67   -69    70   0.15000  1.0 3.0
   71    67   -69    72   0.00000  1.0 1.0
   71    67    69    75  -0.70950  1.0 1.0
   71    67    69    75   0.38400 -1.0 2.0
   71    67   -41    33   0.04050  1.0 1.0
   71    67   -41    33   0.63700 -1.0 2.0
   71    67   -41    33   0.17650  1.0 3.0
   71    67    41    42   0.00000  1.0 1.0
   71    67    41    45   0.86500  1.0 1.0
   71    67    41    45  -0.17500 -1.0 2.0
   71    67    41    45   0.20800  1.0 3.0
   75    69    72    73   0.15000  1.0 3.0
   75    69    72    74   0.15000  1.0 3.0
   75    69   -72    71  -0.70950  1.0 1.0
   75    69   -72    71   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.36600  1.0 1.0
   41    33    38    43  -0.11450 -1.0 2.0
   41    33    38    43   0.24250  1.0 3.0
   41    67    69    70   0.15000  1.0 3.0
   41    67    69    72  -0.70950  1.0 1.0
   41    67    69    72   0.38400 -1.0 2.0
   41    67    69    75   0.56750  1.0 1.0
   41    67    69    75  -0.07550 -1.0 2.0
   41    67    69    75   0.20000  1.0 3.0
   41    67   -71    43   1.36600  1.0 1.0
   41    67   -71    43  -0.11450 -1.0 2.0
   41    67   -71    43   0.24250  1.0 3.0
   41    67    71    56   0.56750  1.0 1.0
   41    67    71    56  -0.07550 -1.0 2.0
   41    67    71    56   0.20000  1.0 3.0
   41    67   -71    72  -0.70950  1.0 1.0
   41    67   -71    72   0.38400 -1.0 2.0
   42    41    45    46   0.19450  1.0 3.0
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
   63    68    65    66  10.50000 -1.0 2.0
END
