* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    162    257     474
    1     0 S   NP   _N1_     1    28.92395    97.52024   -21.69967
    2     1 S   H    _HN1     2     1.02788    90.80204   -80.23489
    3     1 S   H    _H1_     3     1.02950    70.40676    28.94055
    4     1 S   H    _H2_     4     1.02831    48.32938   166.31159
    5     1 S   CT   _CA1     5     1.50115   154.35802   125.56161
    6     5 S   HC   _HA1     6     1.09580   105.20090    90.78681
    7     5 S   CO3  _C1_     7     1.53742   112.24942   -29.34915
    8     7 S   O2Z  _O11     8     1.26367   115.04615   -48.11332
    9     7 S   O2Z  _O12     9     1.26245   114.94959   130.84977
   10     5 S   CT   _CB1    10     1.53073   107.38079  -151.43427
   11    10 S   HC   HB11    11     1.09830   109.28125   -50.91043
   12    10 S   HC   HB12    12     1.09811   110.53454    65.66499
   13    10 S   CT   _CG1    13     1.52967   112.58617  -171.93209
   14    13 S   HC   HG11    14     1.09561   110.52537   -65.57747
   15    13 S   HC   HG12    15     1.09667   109.87621    53.61639
   16    13 S   C    _CD1    16     1.51823   112.25424   173.94450
   17    16 S   O    _OE1    17     1.22726   123.28421     3.07447
   18    16 S   N    _N2_    18     1.38603   111.61605  -176.78168
   19    18 S   H    _HN2    19     1.01581   118.94312     1.14893
   20    18 S   CT1  _CA2    20     1.46314   123.50364   177.92717
   21    20 S   HC   _HA2    21     1.09734   109.42532    -2.19232
   22    20 S   C    _C2_    22     1.53493   108.29578  -117.60311
   23    22 S   O    _O2_    23     1.23031   122.46127  -147.25972
   24    20 S   CT   _CB2    32     1.53279   111.37117   119.95103
   25    24 S   HC   HB21    33     1.09574   109.74296    54.77417
   26    24 S   HC   HB22    34     1.09455   110.46382   173.88766
   27    22 S   N    _N3_    24     1.38400   113.52572    40.20734
   28    27 S   H    _HN3    25     1.01607   119.49667    -3.42594
   29    24 S   S    _SG2    35     1.82766   111.14823   -66.27461
   30    27 S   CT   _CA3    26     1.45272   123.16785   177.07571
   31    30 S   HC   HA31    27     1.09551   107.52495   -64.16143
   32    30 S   HC   HA32    28     1.09559   107.95925    52.25842
   33    29 S   CT   _C17    36     1.87528    99.78358   161.13493
   34    33 S   HC   _H6_    37     1.10001   104.31277   -47.69746
   35    30 S   CO3  _C3_    29     1.52943   114.11634   174.25843
   36    35 S   O2Z  _O31    30     1.26368   116.07294    -0.26980
   37    35 S   O2Z  _O32    31     1.26430   114.40766   179.78330
   38    33 S   CT   _C16    38     1.58733   111.72977    63.68105
   39    38 S   OM   _O36    39     1.32438   112.51538    49.95831
   40    38 S   HC   _H5_    40     1.10278   103.51086   -77.46628
   41    38 S   CT   _C15    41     1.55584   112.34696   170.49457
   42    41 S   HC   _H4_    42     1.10026   110.03184  -172.22158
   43    41 S   CT   _C14    43     1.53438   111.61510   -50.35851
   44    43 S   HC   _H15    44     1.09535   110.71313   -62.71716
   45    43 S   HC   _H16    45     1.09621   110.09714  -179.57803
   46    41 S   OS   _O37    78     1.44024   106.95746    70.46354
   47    43 S   CT   _C13    46     1.51891   109.09100    61.16342
   48    47 S   HC   _H3_    47     1.09948   107.74542    67.55552
   49    46 S   CT   _C18    79     1.42104   113.51596   157.12152
   50    49 S   HC   _H17    80     1.09344   108.12137  -177.91738
   51    49 S   HC   _H18    81     1.09284   111.15346    63.41053
   52    49 S   HC   _H19    82     1.09410   110.58521   -59.40536
   53    33 S   CT   _C12    48     1.58495   112.66534  -160.08372
   54    47 S   NP   _N4_    59     1.51440   110.58456  -175.54697
   55    54 S   H    _H7_    60     1.02881   111.27432   -36.36623
   56    53 S   CA   _C7_    49     1.57992   114.89492    76.48010
   57    54 S   CT   _C20    61     1.51340   106.35047    83.56099
   58    57 S   HC   _H22    62     1.09511   106.93037   -94.57565
   59    57 S   HC   _H23    63     1.09439   109.02104   147.54194
   60    56 S   CA   _C8_    50     1.40092   122.98700   -23.58426
   61    60 S   HA   _H12    51     1.07979   123.35073     2.34885
   62    53 S   CT   _C21    64     1.56538   116.99274   -48.54940
   63    62 S   HC   _H8_    65     1.09682   111.34611    93.82196
   64    60 S   CA   _C9_    52     1.38257   119.11167  -178.13093
   65    62 S   OH   _O38    66     1.41699   114.01210   -27.07516
   66    65 S   HO   _H24    67     0.97191   108.27518   173.43601
   67    64 S   CA   _C10    53     1.37630   122.93659    -0.41401
   68    67 S   CA   _C5_    54     1.38141   120.98139    -0.23070
   69    67 S   OS   _O34    73     1.36207   111.14166  -179.64392
   70    56 S   CA   _C6_    55     1.43970   119.27622   157.59686
   71    68 S   OS   _O33    68     1.36716   127.10527  -179.01882
   72    69 S   CO   _C11    74     1.43881   101.99596    -1.05146
   73    72 S   HC   _H13    75     1.09536   108.54377  -119.37657
   74    72 S   HC   _H14    76     1.09584   108.73140   122.51372
   75    70 S   CT   _C19    56     1.51675   119.74606    -4.38816
   76    75 S   HC   _H20    57     1.09552   111.83659   128.78473
   77    75 S   HC   _H21    58     1.09647   109.64767  -110.41836
   78    71 S   CT   _C4_    69     1.42051   118.40996    -1.54674
   79    78 S   HC   _H9_    70     1.09449   107.61110  -179.03025
   80    78 S   HC   _H10    71     1.09450   111.17120    63.64663
   81    78 S   HC   _H11    72     1.09457   111.24356   -61.65976
   82    64 S   OS   _O35    77     1.36313   124.20402   179.84549
  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
  19   8   2   1   1  13   6   5  13   6  13   6   5   5  16   7
   3   2   1   1  16  13   8  15  10   5   4  10   4   5   2   9
   1   1  10  12   6   5   5   3   2   1   2   1   1   3   2   1
   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    53    56    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    53    56    60    70    54    57    62    63    65    46  
   38    39    40    41    47    53    56    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    53    56    62    46    49  
   40    41    42    43    53    46  
   41    42    43    53    46  
   42    43    44    45    47    48    53    54    46    49    50    51    52  
   43    44    45    47    46    49  
   44    45    47    48    53    56    75    54    55    57    62    46    49  
   45    47    48    53    54    46  
   47    48    53    54    46  
   49    50    51    52    47  
   48    53    56    60    70    75    76    77    54    55    57    58    59    62    63    65  
   53    56    75    54    55    57    62  
   50    51    52  
   51    52  
   52  
    0  
   56    60    61    64    68    70    75    54    55    57    58    59    62    63    65    66  
   55    57    58    59    62    63    65    56    68    70    75    76    77  
   57    58    59    62    70    75    76    77  
   60    61    64    67    68    70    75    76    77    57    62    63    65    71    82  
   58    59    62    63    65    66    70    75    76    77  
   59    62    63    65    75  
   62    63    65    75  
   61    64    67    68    70    75    62    69    72    82  
   64    67    70    82  
   63    65    66    70    75  
   65    66  
   67    68    70    71    69    72    73    74    82  
   66  
    0  
   68    70    75    71    78    69    72    73    74    82  
   70    75    76    77    71    78    79    80    81    69    72    82  
   72    73    74    82    70    71  
   75    76    77    71    78  
   78    79    80    81    75  
   73    74    82  
   74    82  
   82  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   55   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    53   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    54   367.000  1.471
   53    56   317.000  1.510
   53    62   268.000  1.529
   56    60   469.000  1.400
   56    70   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    82   450.000  1.364
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    71   450.000  1.364
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    54   367.000  1.471
   54    55   434.000  1.010
   54    57   367.000  1.471
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    65   320.000  1.410
   65    66   553.000  0.945
   71    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    82   320.000  1.380
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    47    58.35000  112.70000
   33    53    56    70.00000  112.17500
   33    53    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    49    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    53    58.35000  112.70000
   43    47    54    80.00000  111.20000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    53    56    70.00000  112.17500
   47    53    62    58.35000  112.70000
   47    54    75    75.00000  113.01200
   47    54    55    35.00000  109.50000
   47    54    57    75.00000  113.01200
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    56    60    70.00000  120.00000
   53    56    70    70.00000  120.00000
   53    62    57    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    65    50.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    64    63.00000  120.00000
   56    70    68    63.00000  120.00000
   56    70    75    70.00000  120.00000
   60    64    67    63.00000  120.00000
   60    64    82    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    69    70.00000  120.00000
   64    82    72   100.00000  112.36700
   67    68    70    63.00000  120.00000
   67    68    71    70.00000  120.00000
   67    69    72   100.00000  112.36700
   68    70    75    70.00000  120.00000
   68    71    78    75.00000  111.00000
   70    56    60    63.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    54    75.00000  110.83300
   75    54    55    35.00000  109.50000
   75    54    57    75.00000  113.01200
   77    75    76    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    53    80.00000  111.20000
   54    75    76    35.00000  109.50000
   54    75    77    35.00000  109.50000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    80.00000  111.20000
   57    54    55    35.00000  109.50000
   57    62    63    37.50000  110.70000
   57    62    65    50.00000  109.50000
   59    57    58    33.00000  107.80000
   62    53    56    70.00000  112.17500
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    55.00000  108.50000
   65    62    63    35.00000  109.50000
   71    68    70    70.00000  120.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   69    67    68    70.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    82    92.60000  111.55000
   74    72    73    33.00000  109.50000
   82    64    67    70.00000  120.00000
   82    72    73    35.00000  109.50000
   82    72    74    35.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   29    33    53    62   0.44750  1.0 1.0
   29    33    53    62  -0.17800 -1.0 2.0
   29    33    53    62   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    53    56    60   0.04150 -1.0 2.0
   33    53    56    70   0.04150 -1.0 2.0
   33    53    62    57   0.56750  1.0 1.0
   33    53    62    57  -0.07550 -1.0 2.0
   33    53    62    57   0.20000  1.0 3.0
   33    53    62    63   0.15000  1.0 3.0
   33    53    62    65   0.86500  1.0 1.0
   33    53    62    65  -0.17500 -1.0 2.0
   33    53    62    65   0.20800  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    56   0.43200  1.0 3.0
   34    33    53    62   0.15000  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    56  -0.03700  1.0 1.0
   38    33    53    56   0.37200 -1.0 2.0
   38    33    53    56  -0.47300  1.0 3.0
   38    33    53    62   0.56750  1.0 1.0
   38    33    53    62  -0.07550 -1.0 2.0
   38    33    53    62   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    46    49   0.06250  1.0 1.0
   38    41    46    49  -0.01100 -1.0 2.0
   38    41    46    49   0.28050  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53   0.56750  1.0 1.0
   41    43    47    53  -0.07550 -1.0 2.0
   41    43    47    53   0.20000  1.0 3.0
   41    43    47    54   1.36600  1.0 1.0
   41    43    47    54  -0.11450 -1.0 2.0
   41    43    47    54   0.24250  1.0 3.0
   41    46    49    50   0.37050  1.0 3.0
   41    46    49    51   0.37050  1.0 3.0
   41    46    49    52   0.37050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.37050  1.0 3.0
   43    41    46    49   0.06250  1.0 1.0
   43    41    46    49  -0.01100 -1.0 2.0
   43    41    46    49   0.28050  1.0 3.0
   43    47   -53    33   0.56750  1.0 1.0
   43    47   -53    33  -0.07550 -1.0 2.0
   43    47   -53    33   0.20000  1.0 3.0
   43    47    53    56  -0.03700  1.0 1.0
   43    47    53    56   0.37200 -1.0 2.0
   43    47    53    56  -0.47300  1.0 3.0
   43    47    53    62   0.56750  1.0 1.0
   43    47    53    62  -0.07550 -1.0 2.0
   43    47    53    62   0.20000  1.0 3.0
   43    47    54    75   0.47100  1.0 1.0
   43    47    54    55   0.17350  1.0 3.0
   43    47    54    57   0.47100  1.0 1.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.19200  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    53   0.15000  1.0 3.0
   45    43    47    54   0.19200  1.0 3.0
   47    53    56    60   0.04150 -1.0 2.0
   47    53    56    70   0.04150 -1.0 2.0
   47    53   -62    57   0.56750  1.0 1.0
   47    53   -62    57  -0.07550 -1.0 2.0
   47    53   -62    57   0.20000  1.0 3.0
   47    53    62    63   0.15000  1.0 3.0
   47    53    62    65   0.86500  1.0 1.0
   47    53    62    65  -0.17500 -1.0 2.0
   47    53    62    65   0.20800  1.0 3.0
   47    54    57    58   0.15000  1.0 3.0
   47    54    57    59   0.15000  1.0 3.0
   47    54   -57    62   0.47100  1.0 1.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    56   0.43200  1.0 3.0
   48    47    53    62   0.15000  1.0 3.0
   48    47    54    75   0.15000  1.0 3.0
   48    47    54    55   0.13050  1.0 3.0
   48    47    54    57   0.15000  1.0 3.0
   53    33    38    39   0.62750  1.0 1.0
   53    33    38    39  -0.30950 -1.0 2.0
   53    33    38    39   0.27300  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    47    54    75   0.47100  1.0 1.0
   53    47    54    55   0.17350  1.0 3.0
   53    47   -54    57   0.47100  1.0 1.0
   53    56    60    61   3.62500 -1.0 2.0
   53    56    60    64   3.62500 -1.0 2.0
   53    56    70    68   3.62500 -1.0 2.0
   53    56   -70    75   3.62500 -1.0 2.0
   53    62    65    66  -0.11600  1.0 1.0
   53    62    65    66  -0.09450 -1.0 2.0
   53    62    65    66   0.21250  1.0 3.0
   56    53    62    57  -0.03700  1.0 1.0
   56    53    62    57   0.37200 -1.0 2.0
   56    53    62    57  -0.47300  1.0 3.0
   56    53    62    63   0.43200  1.0 3.0
   56    53    62    65   1.13150  1.0 1.0
   56    53    62    65  -1.01400 -1.0 2.0
   56    60    64    67   3.62500 -1.0 2.0
   56    60    64    82   3.62500 -1.0 2.0
   56    70    75    76   0.00000  1.0 1.0
   56    70    75    77   0.00000  1.0 1.0
   56    70    75    54  -0.46400 -1.0 2.0
   60    56    70    68   3.62500 -1.0 2.0
   60    56    70    75   3.62500 -1.0 2.0
   60    64   -67    68   3.62500 -1.0 2.0
   60    64    67    69   3.62500 -1.0 2.0
   60    64    82    72   1.63200 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    82   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    68    71   3.62500 -1.0 2.0
   64    67   -69    72   1.63200 -1.0 2.0
   67    64   -82    72   1.63200 -1.0 2.0
   67    68   -70    56   3.62500 -1.0 2.0
   67    68    70    75   3.62500 -1.0 2.0
   67    68    71    78   1.63200 -1.0 2.0
   67    69    72    73   0.08050  1.0 3.0
   67    69    72    74   0.08050  1.0 3.0
   67    69   -72    82  -0.25600  1.0 1.0
   67    69   -72    82  -0.40050 -1.0 2.0
   67    69   -72    82   0.34700  1.0 3.0
   68    67    69    72   1.63200 -1.0 2.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    54  -0.46400 -1.0 2.0
   68    71    78    79   0.08050  1.0 3.0
   68    71    78    80   0.08050  1.0 3.0
   68    71    78    81   0.08050  1.0 3.0
   70    56    60    61   3.62500 -1.0 2.0
   70    56   -60    64   3.62500 -1.0 2.0
   70    68    71    78   1.63200 -1.0 2.0
   70    75   -54    47   0.03550  1.0 1.0
   70    75   -54    47   0.09800 -1.0 2.0
   70    75    54    55   0.17350  1.0 3.0
   70    75    54    57   0.03550  1.0 1.0
   70    75    54    57   0.09800 -1.0 2.0
   75    54    57    58   0.15000  1.0 3.0
   75    54    57    59   0.15000  1.0 3.0
   75    54    57    62   0.47100  1.0 1.0
   76    75    54    47   0.15000  1.0 3.0
   76    75    54    55   0.13050  1.0 3.0
   76    75    54    57   0.15000  1.0 3.0
   77    75    54    47   0.15000  1.0 3.0
   77    75    54    55   0.13050  1.0 3.0
   77    75    54    57   0.15000  1.0 3.0
   54    47    53    33   1.36600  1.0 1.0
   54    47    53    33  -0.11450 -1.0 2.0
   54    47    53    33   0.24250  1.0 3.0
   54    47   -53    56   1.24050  1.0 1.0
   54    47   -53    56   0.48100 -1.0 2.0
   54    47   -53    56   1.08150  1.0 3.0
   54    47   -53    62   1.36600  1.0 1.0
   54    47   -53    62  -0.11450 -1.0 2.0
   54    47   -53    62   0.24250  1.0 3.0
   54    57   -62    53   1.36600  1.0 1.0
   54    57   -62    53  -0.11450 -1.0 2.0
   54    57   -62    53   0.24250  1.0 3.0
   54    57    62    63   0.19200  1.0 3.0
   54    57    62    65   1.69300  1.0 1.0
   54    57    62    65  -0.48450 -1.0 2.0
   55    54    57    58   0.13050  1.0 3.0
   55    54    57    59   0.13050  1.0 3.0
   55    54    57    62   0.17350  1.0 3.0
   57    62    65    66  -0.11600  1.0 1.0
   57    62    65    66  -0.09450 -1.0 2.0
   57    62    65    66   0.21250  1.0 3.0
   58    57    62    53   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    65   0.23400  1.0 3.0
   59    57    62    53   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    65   0.23400  1.0 3.0
   62    53    56    60   0.04150 -1.0 2.0
   62    53    56    70   0.04150 -1.0 2.0
   63    62    65    66   0.19450  1.0 3.0
   71    68    70    56   3.62500 -1.0 2.0
   71    68    70    75   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    72   -82    64  -0.25600  1.0 1.0
   69    72   -82    64  -0.40050 -1.0 2.0
   69    72   -82    64   0.34700  1.0 3.0
   73    72    82    64   0.08050  1.0 3.0
   74    72    82    64   0.08050  1.0 3.0
   82    64    67    68   3.62500 -1.0 2.0
   82    64   -67    69   3.62500 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  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
   60    70    56    53   4.00000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   67    82    64    60   4.00000 -1.0 2.0
   68    69    67    64   4.00000 -1.0 2.0
   70    71    68    67   4.00000 -1.0 2.0
   68    75    70    56   4.00000 -1.0 2.0
END
