* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    148    246     445
    1     0 S   NP   _N1_     1    28.75424    96.81034   -23.50267
    2     1 S   H    _HN1     2     1.02793   107.94574   -93.73884
    3     1 S   H    _H1_     3     1.02947    66.55551     9.02406
    4     1 S   H    _H2_     4     1.02826    42.78550   169.04648
    5     1 S   CT   _CA1     5     1.50126   138.01503   103.97186
    6     5 S   HC   _HA1     6     1.09577   105.13875   100.41269
    7     5 S   CO3  _C1_     7     1.53753   112.50732   -19.71653
    8     7 S   O2Z  _O11     8     1.26374   114.99212   -41.64814
    9     7 S   O2Z  _O12     9     1.26238   114.92951   137.29145
   10     5 S   CT   _CB1    10     1.53047   107.39863  -141.67201
   11    10 S   HC   HB11    11     1.09840   109.24869   -49.84619
   12    10 S   HC   HB12    12     1.09809   110.51035    66.73986
   13    10 S   CT   _CG1    13     1.52994   112.63767  -170.81359
   14    13 S   HC   HG11    14     1.09574   110.69754   -68.80371
   15    13 S   HC   HG12    15     1.09675   109.71631    50.41880
   16    13 S   C    _CD1    16     1.51806   112.01373   170.89211
   17    16 S   O    _OE1    17     1.22748   123.22725    12.87630
   18    16 S   N    _N2_    18     1.38573   111.73285  -167.02323
   19    18 S   H    _HN2    19     1.01569   118.96743     0.27052
   20    18 S   CT1  _CA2    20     1.46180   123.61059   177.10024
   21    20 S   HC   _HA2    21     1.09727   109.23168     9.52021
   22    20 S   C    _C2_    22     1.53735   109.30781  -106.25279
   23    22 S   O    _O2_    23     1.23106   122.11673  -152.24894
   24    20 S   CT   _CB2    32     1.53353   111.31671   131.53041
   25    24 S   HC   HB21    33     1.09406   109.52091    57.80532
   26    24 S   HC   HB22    34     1.09477   109.93950   176.24918
   27    22 S   N    _N3_    24     1.38270   114.06863    35.23133
   28    27 S   H    _HN3    25     1.01522   119.58454    -3.41827
   29    24 S   S    _SG2    35     1.83070   111.28725   -64.60667
   30    27 S   CT   _CA3    26     1.45273   123.33058   177.30885
   31    30 S   HC   HA31    27     1.09545   107.53077   -64.62283
   32    30 S   HC   HA32    28     1.09555   107.98738    51.84721
   33    29 S   CT   _C20    36     1.87007   101.71120   155.40471
   34    33 S   OM   _O38    37     1.32508   107.51938   179.24334
   35    30 S   CO3  _C3_    29     1.52982   114.00654   173.83827
   36    35 S   O2Z  _O31    30     1.26392   116.07671    -0.07402
   37    35 S   O2Z  _O32    31     1.26423   114.43032   179.97202
   38    33 S   CM   _C21    38     1.53739   110.43900   -64.09906
   39    33 S   CT   _C19    70     1.57554   109.22383    60.96420
   40    39 S   HC   _H4_    71     1.09487   108.48182   -45.63888
   41    38 S   CMA  _C22    39     1.36511   125.33913   133.39304
   42    41 S   OM   _O36    40     1.26969   130.06529   176.12713
   43    39 S   NT   _N5_    72     1.47642   113.49072    70.72322
   44    43 S   H    _H16    73     1.01949   108.40141   -41.27439
   45    43 S   H    _H17    74     1.01800   109.65445  -157.39524
   46    38 S   C    _C23    77     1.51731   117.68549   -47.73727
   47    46 S   O    _O37    78     1.22717   122.96619   -55.33772
   48    41 S   CT   _C16    41     1.55570   118.80581    -2.85211
   49    46 S   N    _N4_    79     1.37669   113.94051   122.36386
   50    49 S   H    _H14    80     1.01444   121.52600     5.79501
   51    49 S   H    _H15    81     1.01298   120.42946  -179.87180
   52    48 S   CO4  _C15    42     1.54637   110.26999   -98.26834
   53    52 S   O    _O35    43     1.23051   122.23664   -19.06585
   54    48 S   OH   _O39    75     1.43791   111.09099   145.66574
   55    54 S   HO   _H18    76     0.97467   106.00602    33.86893
   56    52 S   CA   _C7_    44     1.50413   119.11529   161.75340
   57    56 S   CA   _C6_    45     1.39681   120.03955    -7.34951
   58    57 S   CA   _C5_    46     1.42729   119.45753   177.59425
   59    57 S   CT   _C18    65     1.51371   120.29972    -0.12511
   60    59 S   HC   _H12    66     1.09826   107.48757    98.40286
   61    59 S   HC   _H13    67     1.09504   110.41138  -146.02985
   62    58 S   CA   _C10    47     1.45102   121.80483     9.07305
   63    58 S   CT   _C4_    61     1.51783   117.38618  -169.13764
   64    63 S   HC   _H5_    62     1.09347   110.64996   -97.48633
   65    63 S   HC   _H6_    63     1.09385   112.70873    23.67272
   66    63 S   HC   _H7_    64     1.09375   110.74262   138.35414
   67    48 S   CT   _C17    68     1.53817   113.41082    24.62891
   68    67 S   HC   _H3_    69     1.10059   108.76715    65.08653
   69    62 S   CA   _C9_    48     1.42828   117.11666   -10.36515
   70    69 S   CA   _C14    49     1.43031   118.62911  -174.97313
   71    56 S   CA   _C8_    58     1.40759   120.97115   172.71964
   72    70 S   CA   _C13    50     1.39058   123.03536    -2.04584
   73    72 S   HA   _H9_    51     1.08593   121.44706  -179.79442
   74    70 S   OH   _O33    56     1.37614   120.46382   178.03956
   75    74 S   HO   _H10    57     0.97158   109.69861   179.64282
   76    71 S   OH   _O34    59     1.37883   120.00125    -1.83291
   77    76 S   HO   _H11    60     0.97226   110.12476     2.32263
   78    72 S   CA   _C12    52     1.37622   119.01297    -1.58363
   79    78 S   HA   _H8_    53     1.08775   118.81815  -177.10396
   80    62 S   CA   _C11    54     1.44448   126.74952   169.56089
   81    80 S   Cl   Cl1_    55     1.74027   124.25467    -9.98907
  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   9   5   4   3
  16   7   2   1   1  14  15   7  13   5   6   2   1   5   3  12
   2   1   1  12   5   5   1  13  15  15   7   3   2  14   5   2
   1   1   1   1  11   9   5   7   4   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    59    67    68    39    40    43    44    45    46    47    49  
   38    41    67    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    52    67    39    40    43    54    46    47    49    50    51  
   40    43    44    45    54    46    41    48    52    57    59    60    61    67    68  
   43    44    45    48    59    67    68  
   42    48    52    53    56    59    67    68    54    55    46    47    49  
   48    52    67    54    46  
   44    45    48    59    67    68  
   45    67  
   67  
   47    49    50    51    48  
   49    50    51  
   52    53    56    57    71    59    60    61    67    68    54    55  
   50    51  
   51  
    0  
   53    56    57    58    69    71    76    59    67    68    54    55  
   56    57    71    67    54  
   55    56    59    67    68  
   67  
   57    58    62    69    70    71    76    77    63    59    60    61    67  
   58    62    69    80    71    76    63    64    65    66    59    60    61    67    68  
   62    69    70    78    80    81    71    63    64    65    66    59    60    61    67  
   60    61    67    68    62    63    71  
   61    67    68  
   67    68  
   69    70    72    78    79    80    81    74    71    76    63    64    65    66  
   64    65    66    69    80  
   65    66  
   66  
    0  
   68  
    0  
   70    72    73    78    80    81    74    75    71    76    77  
   72    73    78    79    80    74    75    71    76  
   76    77    72    74    80  
   73    78    79    80    81    74    75  
   78    79    80    74  
   75    78  
    0  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    46   410.000  1.444
   41    42   745.000  1.250
   41    48   270.000  1.512
   48    52   317.000  1.522
   48    67   268.000  1.529
   48    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    71   469.000  1.400
   57    58   469.000  1.400
   57    59   317.000  1.510
   58    62   469.000  1.400
   58    63   317.000  1.510
   62    69   469.000  1.400
   62    80   469.000  1.400
   69    70   469.000  1.400
   69    71   469.000  1.400
   70    72   469.000  1.400
   70    74   450.000  1.364
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   300.000  1.725
   74    75   553.000  0.945
   71    76   450.000  1.364
   76    77   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    44   434.000  1.010
   43    45   434.000  1.010
   54    55   553.000  0.945
   46    47   570.000  1.229
   46    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    46    70.00000  119.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    48    65.00000  122.18000
   38    46    47    80.00000  125.30000
   38    46    49    80.00000  111.56200
   41    48    52    70.00000  109.06800
   41    48    67    70.00000  112.02700
   41    48    54    90.00000  110.39200
   48    41    42    85.00000  112.85300
   48    52    53    80.00000  120.40000
   48    52    56    65.00000  115.47100
   48    67    59    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    39    58.35000  112.70000
   48    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    71    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    58    63.00000  120.00000
   56    57    59    70.00000  120.00000
   56    71    69    63.00000  120.00000
   56    71    76    70.00000  120.00000
   57    58    62    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    67    70.00000  112.17500
   58    62    69    63.00000  120.00000
   58    62    80    63.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    69    70    63.00000  120.00000
   62    69    71    63.00000  120.00000
   62    80    78    63.00000  120.00000
   62    80    81    75.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    74    70.00000  120.00000
   69    71    76    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    78    63.00000  120.00000
   70    74    75    35.00000  113.00000
   72    78    79    35.00000  120.00000
   72    78    80    63.00000  120.00000
   78    72    73    35.00000  120.00000
   78    80    81    75.00000  120.00000
   80    62    69    63.00000  120.00000
   80    78    79    35.00000  120.00000
   74    70    72    70.00000  120.00000
   71    56    57    63.00000  120.00000
   71    69    70    63.00000  120.00000
   71    76    77    35.00000  113.00000
   63    58    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    57    58    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    39    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    48    52    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    43.60000  106.40000
   54    48    52    90.00000  109.61100
   54    48    67    50.00000  109.50000
   46    38    41    60.00000  120.04000
   46    49    50    35.00000  119.80000
   46    49    51    35.00000  119.80000
   49    46    47    80.00000  122.90000
   51    49    50    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    46   0.09700  1.0 1.0
   29    33    38    46   0.15600 -1.0 2.0
   29    33    38    46  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    46    47  -0.64400  1.0 1.0
   33    38    46    47   0.26850 -1.0 2.0
   33    38    46    49   1.59650  1.0 1.0
   33    38    46    49   0.42750 -1.0 2.0
   33    38    46    49  -0.48350  1.0 3.0
   33    39    43    44  -0.05950  1.0 1.0
   33    39    43    44   0.08850 -1.0 2.0
   33    39    43    44   0.11750  1.0 3.0
   33    39    43    45  -0.05950  1.0 1.0
   33    39    43    45   0.08850 -1.0 2.0
   33    39    43    45   0.11750  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    46   0.09700  1.0 1.0
   34    33    38    46   0.15600 -1.0 2.0
   34    33    38    46  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    48    52  -0.51250  1.0 1.0
   38    41    48    52  -0.88800 -1.0 2.0
   38    41    48    52   0.08850  1.0 3.0
   38    41   -48    67   0.09850  1.0 1.0
   38    41   -48    67   0.15250 -1.0 2.0
   38    41   -48    67  -0.50650  1.0 3.0
   38    41    48    54   0.67800  1.0 1.0
   38    41    48    54   0.47050 -1.0 2.0
   38    41    48    54  -0.62500  1.0 3.0
   38    46    49    50   2.56700 -1.0 2.0
   38    46    49    51   2.56700 -1.0 2.0
   41    38    46    47   1.00000 -1.0 2.0
   41    38    46    49   0.49500  1.0 1.0
   41    38    46    49   1.31600 -1.0 2.0
   41    38    46    49  -0.02300  1.0 3.0
   41    48    52    53   0.30150 -1.0 2.0
   41    48    52    56   0.65300  1.0 1.0
   41    48    52    56  -0.03850 -1.0 2.0
   41    48    52    56   0.33900  1.0 3.0
   41    48    67    59   0.34400  1.0 1.0
   41    48    67    59   0.09450 -1.0 2.0
   41    48    67    59   0.11100  1.0 3.0
   41    48    67    68   0.15000  1.0 3.0
   41    48    67    39   0.34400  1.0 1.0
   41    48    67    39   0.09450 -1.0 2.0
   41    48    67    39   0.11100  1.0 3.0
   41    48    54    55  -0.07800  1.0 1.0
   41    48    54    55  -0.21500 -1.0 2.0
   41    48    54    55  -0.03150  1.0 3.0
   42    41    48    52   0.09700  1.0 1.0
   42    41    48    52   0.15600 -1.0 2.0
   42    41    48    52  -0.50800  1.0 3.0
   42    41    48    67   0.09700  1.0 1.0
   42    41    48    67   0.15600 -1.0 2.0
   42    41    48    67  -0.50800  1.0 3.0
   42    41    48    54   0.09700  1.0 1.0
   42    41    48    54   0.15600 -1.0 2.0
   42    41    48    54  -0.50800  1.0 3.0
   48    52    56    57   2.26350  1.0 1.0
   48    52    56    57   0.76750 -1.0 2.0
   48    52    56    57   0.22500  1.0 3.0
   48    52    56    71   2.26350  1.0 1.0
   48    52    56    71   0.76750 -1.0 2.0
   48    52    56    71   0.22500  1.0 3.0
   48    67   -39    33   0.56750  1.0 1.0
   48    67   -39    33  -0.07550 -1.0 2.0
   48    67   -39    33   0.20000  1.0 3.0
   48    67    39    40   0.15000  1.0 3.0
   48    67    39    43   1.85550  1.0 1.0
   48    67    39    43  -0.84100 -1.0 2.0
   52    48    67    59  -0.95700  1.0 1.0
   52    48    67    59  -0.18200 -1.0 2.0
   52    48    67    59   0.29450  1.0 3.0
   52    48    67    68  -0.11250  1.0 3.0
   52    48    67    39  -0.95700  1.0 1.0
   52    48    67    39  -0.18200 -1.0 2.0
   52    48    67    39   0.29450  1.0 3.0
   52    48    54    55   0.91850  1.0 1.0
   52    48    54    55   0.57950  1.0 3.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56   -57    59   3.62500 -1.0 2.0
   52    56    71    69   3.62500 -1.0 2.0
   52    56    71    76   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    71   1.05000 -1.0 2.0
   56    57    58    62   3.62500 -1.0 2.0
   56    57    58    63   3.62500 -1.0 2.0
   56    57    59    60   0.00000  1.0 1.0
   56    57    59    61   0.00000  1.0 1.0
   56    57    59    67   0.04150 -1.0 2.0
   56    71    76    77   0.84100 -1.0 2.0
   57    56    71    69   3.62500 -1.0 2.0
   57    56    71    76   3.62500 -1.0 2.0
   57    58   -62    69   3.62500 -1.0 2.0
   57    58    62    80   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    66   0.00000  1.0 1.0
   57    59   -67    48  -0.03700  1.0 1.0
   57    59   -67    48   0.37200 -1.0 2.0
   57    59   -67    48  -0.47300  1.0 3.0
   57    59    67    68   0.43200  1.0 3.0
   57    59    67    39  -0.03700  1.0 1.0
   57    59    67    39   0.37200 -1.0 2.0
   57    59    67    39  -0.47300  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    67   0.04150 -1.0 2.0
   58    62    69    70   3.62500 -1.0 2.0
   58    62    69    71   3.62500 -1.0 2.0
   58    62    80    78   3.62500 -1.0 2.0
   58    62    80    81   3.62500 -1.0 2.0
   62    58    63    64   0.00000  1.0 1.0
   62    58    63    65   0.00000  1.0 1.0
   62    58    63    66   0.00000  1.0 1.0
   62    69    70    72   3.62500 -1.0 2.0
   62    69    70    74   3.62500 -1.0 2.0
   62    69   -71    56   3.62500 -1.0 2.0
   62    69    71    76   3.62500 -1.0 2.0
   69    62    80    78   3.62500 -1.0 2.0
   69    62    80    81   3.62500 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70   -72    78   3.62500 -1.0 2.0
   69    70    74    75   0.84100 -1.0 2.0
   69    71    76    77   0.84100 -1.0 2.0
   70    69    71    56   3.62500 -1.0 2.0
   70    69    71    76   3.62500 -1.0 2.0
   70    72    78    79   3.62500 -1.0 2.0
   70    72    78    80   3.62500 -1.0 2.0
   72    70    74    75   0.84100 -1.0 2.0
   72    78   -80    62   3.62500 -1.0 2.0
   72    78    80    81   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   79    78    80    62   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    62   -69    70   3.62500 -1.0 2.0
   80    62    69    71   3.62500 -1.0 2.0
   74    70    72    73   3.62500 -1.0 2.0
   74    70    72    78   3.62500 -1.0 2.0
   71    56   -57    58   3.62500 -1.0 2.0
   71    56    57    59   3.62500 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   63    58    62    69   3.62500 -1.0 2.0
   63    58    62    80   3.62500 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   59    67    39    33   0.56750  1.0 1.0
   59    67    39    33  -0.07550 -1.0 2.0
   59    67    39    33   0.20000  1.0 3.0
   59    67    39    40   0.15000  1.0 3.0
   59    67    39    43   1.85550  1.0 1.0
   59    67    39    43  -0.84100 -1.0 2.0
   60    59    67    48   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    39   0.15000  1.0 3.0
   61    59    67    48   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    39   0.15000  1.0 3.0
   67    48    52    53   0.30150 -1.0 2.0
   67    48   -52    56   0.05850 -1.0 2.0
   67    48   -52    56   0.17250  1.0 3.0
   67    48    54    55  -0.11600  1.0 1.0
   67    48    54    55  -0.09450 -1.0 2.0
   67    48    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.05950  1.0 1.0
   67    39    43    44   0.08850 -1.0 2.0
   67    39    43    44   0.11750  1.0 3.0
   67    39    43    45  -0.05950  1.0 1.0
   67    39    43    45   0.08850 -1.0 2.0
   67    39    43    45   0.11750  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    46   0.09700  1.0 1.0
   39    33    38    46   0.15600 -1.0 2.0
   39    33    38    46  -0.50800  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    45   0.20000  1.0 3.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    56   0.65300  1.0 1.0
   54    48    52    56  -0.03850 -1.0 2.0
   54    48    52    56   0.33900  1.0 3.0
   54    48    67    59   0.86500  1.0 1.0
   54    48    67    59  -0.17500 -1.0 2.0
   54    48    67    59   0.20800  1.0 3.0
   54    48    67    68   0.23400  1.0 3.0
   54    48    67    39   0.86500  1.0 1.0
   54    48    67    39  -0.17500 -1.0 2.0
   54    48    67    39   0.20800  1.0 3.0
   46    38    41    42   7.00000 -1.0 2.0
   46    38    41    48   7.00000 -1.0 2.0
   47    46    49    50   2.45000 -1.0 2.0
   47    46    49    51   2.45000 -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
   33    46    38    41   1.10000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   57    71    56    52   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   62    63    58    57   4.00000 -1.0 2.0
   69    80    62    58   4.00000 -1.0 2.0
   70    71    69    62   4.00000 -1.0 2.0
   72    74    70    69   4.00000 -1.0 2.0
   78    73    72    70   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   78    81    80    62   4.00000 -1.0 2.0
   69    76    71    56   4.00000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
   51    46    49    50   1.00000 -1.0 2.0
END
