* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    160    258     475
    1     0 S   NP   _N1_     1    28.55790   100.00333   -24.57732
    2     1 S   H    _HN1     2     1.02953    58.51831   -10.27418
    3     1 S   H    _H1_     3     1.02834    48.79674   164.08450
    4     1 S   H    _H2_     4     1.02777   117.60273  -105.76571
    5     1 S   CT   _CA1     5     1.50171   129.92333    80.91776
    6     5 S   HC   _HA1     6     1.09575   105.17987   112.43378
    7     5 S   CO3  _C1_     7     1.53777   112.08492    -7.69417
    8     7 S   O2Z  _O11     8     1.26377   114.99333   -48.42648
    9     7 S   O2Z  _O12     9     1.26207   114.91593   130.20370
   10     5 S   CT   _CB1    10     1.53053   107.35522  -129.74581
   11    10 S   HC   HB11    11     1.09839   109.36133   -49.60199
   12    10 S   HC   HB12    12     1.09810   110.47344    66.94303
   13    10 S   CT   _CG1    13     1.53045   112.68146  -170.54778
   14    13 S   HC   HG11    14     1.09587   110.64508   -65.08498
   15    13 S   HC   HG12    15     1.09658   109.84257    54.16275
   16    13 S   C    _CD1    16     1.51855   111.96644   174.60199
   17    16 S   O    _OE1    17     1.22806   123.20881     7.64375
   18    16 S   N    _N2_    18     1.38433   111.95776  -172.54204
   19    18 S   H    _HN2    19     1.01773   119.43724     0.81948
   20    18 S   CT1  _CA2    20     1.45880   122.80620   179.12374
   21    20 S   HC   _HA2    21     1.09742   108.58395    32.46131
   22    20 S   C    _C2_    22     1.53006   107.39077   -84.75262
   23    22 S   O    _O2_    23     1.22979   123.20548   -26.78350
   24    20 S   CT   _CB2    32     1.53237   112.00114   155.55309
   25    24 S   HC   HB21    33     1.09426   109.17121    56.52255
   26    24 S   HC   HB22    34     1.09549   110.23275   174.95426
   27    22 S   N    _N3_    24     1.38563   112.50847   155.63582
   28    27 S   H    _HN3    25     1.01647   120.31062    -1.53059
   29    24 S   S    _SG2    35     1.83322   110.49807   -65.67074
   30    27 S   CT   _CA3    26     1.45339   122.43503   178.78276
   31    30 S   HC   HA31    27     1.09568   107.66870   -58.61378
   32    30 S   HC   HA32    28     1.09567   107.72353    57.68294
   33    29 S   CT   _C20    36     1.87713   103.40584   161.17879
   34    33 S   OM   _O38    37     1.32115   112.45016    22.51225
   35    30 S   CO3  _C3_    29     1.52880   114.40884   179.53902
   36    35 S   O2Z  _O31    30     1.26330   116.11748    -0.95920
   37    35 S   O2Z  _O32    31     1.26455   114.39683   179.06414
   38    33 S   CM   _C21    38     1.54197   105.30671   -95.42102
   39    33 S   CT   _C19    70     1.60038   111.52608   143.31298
   40    39 S   HC   _H4_    71     1.10219   105.54831  -170.76831
   41    38 S   CMA  _C23    39     1.36197   126.95116  -109.53205
   42    41 S   OM   _O37    40     1.27008   129.80851   176.07006
   43    39 S   NT   _N5_    72     1.48905   121.38332   -54.69729
   44    38 S   C    _C22    83     1.50973   118.65754    68.38525
   45    44 S   O    _O36    84     1.22712   122.77380   -82.42439
   46    41 S   CT   _C16    41     1.54999   118.77280    -2.75236
   47    43 S   CT   _C24    73     1.45395   118.73822    66.05897
   48    47 S   HC   _H16    74     1.09665   109.37631   157.08045
   49    47 S   HC   _H17    75     1.09391   112.72515    39.66229
   50    47 S   HC   _H18    76     1.09400   112.83745   -84.33139
   51    43 S   CT   _C25    77     1.45806   114.84114   -68.86977
   52    51 S   HC   _H19    78     1.09632   110.12488  -164.22067
   53    51 S   HC   _H20    79     1.09460   112.57434    75.82134
   54    51 S   HC   _H21    80     1.09549   111.42412   -46.85231
   55    44 S   N    _N4_    85     1.37544   112.96209    98.33654
   56    55 S   H    _H14    86     1.01414   121.54091    -0.21306
   57    55 S   H    _H15    87     1.01228   120.70535   179.35350
   58    46 S   CO4  _C15    42     1.54911   110.50252  -100.72401
   59    58 S   O    _O35    43     1.23084   122.06767   -24.51180
   60    46 S   OH   _O39    81     1.43982   110.73076   143.90556
   61    60 S   HO   _H22    82     0.97483   105.97171    34.84213
   62    58 S   CA   _C7_    44     1.50468   119.49179   157.48333
   63    62 S   CA   _C6_    45     1.39557   119.97152    -1.95645
   64    63 S   CA   _C5_    46     1.42680   119.55746   176.75526
   65    63 S   CT   _C18    65     1.51212   120.02929    -1.09718
   66    65 S   HC   _H12    66     1.09811   107.64138    95.55693
   67    65 S   HC   _H13    67     1.09344   110.32878  -149.33548
   68    64 S   CA   _C10    47     1.44989   121.75918     9.68519
   69    64 S   CT   _C4_    61     1.51757   117.35910  -168.42044
   70    69 S   HC   _H5_    62     1.09347   110.69994   -96.56977
   71    69 S   HC   _H6_    63     1.09421   112.49740    24.68802
   72    69 S   HC   _H7_    64     1.09370   110.82180   139.23126
   73    46 S   CT   _C17    68     1.54032   113.31098    23.46084
   74    73 S   HC   _H3_    69     1.09945   108.55771    65.84969
   75    68 S   CA   _C9_    48     1.42793   117.10766   -10.77327
   76    75 S   CA   _C14    49     1.43032   118.58707  -174.87497
   77    62 S   CA   _C8_    58     1.40798   121.15098   177.67241
   78    76 S   CA   _C13    50     1.39075   123.03231    -2.10171
   79    78 S   HA   _H9_    51     1.08593   121.44418  -179.79347
   80    76 S   OH   _O33    56     1.37616   120.45910   177.96375
   81    80 S   HO   _H10    57     0.97155   109.68026   179.84423
   82    77 S   OH   _O34    59     1.37887   120.03636    -1.02163
   83    82 S   HO   _H11    60     0.97235   110.01940     0.00000
   84    78 S   CA   _C12    52     1.37633   119.02190    -1.62124
   85    84 S   HA   _H8_    53     1.08773   118.83482  -177.02737
   86    68 S   CA   _C11    54     1.44408   126.69867   169.11013
   87    86 S   Cl   Cl1_    55     1.74032   124.20712   -10.23837
  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  21   7  13   5  12   5   3  12   8   3
   2   1   4   2   1   1   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    73    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    65    73    74    39    40    43    47    51    44    45    55  
   38    41    73    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    58    73    39    40    43    60    44    45    55    56    57  
   40    43    47    48    49    50    51    52    53    54    60    44    41    46    58    63    65    66    67    73    74  
   43    47    51    46    65    73    74  
   42    46    58    59    62    65    73    74    60    61    44    45    55  
   46    58    73    60    44  
   47    48    49    50    51    52    53    54    46    65    73    74  
   45    55    56    57    46  
   55    56    57  
   58    59    62    63    77    65    66    67    73    74    60    61  
   48    49    50    51    52    53    54    73  
   49    50    51  
   50    51  
   51  
   52    53    54    73  
   53    54  
   54  
    0  
   56    57  
   57  
    0  
   59    62    63    64    75    77    82    65    73    74    60    61  
   62    63    77    73    60  
   61    62    65    73    74  
   73  
   63    64    68    75    76    77    82    83    69    65    66    67    73  
   64    68    75    86    77    82    69    70    71    72    65    66    67    73    74  
   68    75    76    84    86    87    77    69    70    71    72    65    66    67    73  
   66    67    73    74    68    69    77  
   67    73    74  
   73    74  
   75    76    78    84    85    86    87    80    77    82    69    70    71    72  
   70    71    72    75    86  
   71    72  
   72  
    0  
   74  
    0  
   76    78    79    84    86    87    80    81    77    82    83  
   78    79    84    85    86    80    81    77    82  
   82    83    78    80    86  
   79    84    85    86    87    80    81  
   84    85    86    80  
   81    84  
    0  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   0.150000   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  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   87   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    44   410.000  1.444
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    58   317.000  1.522
   46    73   268.000  1.529
   46    60   320.000  1.410
   58    59   570.000  1.229
   58    62   310.000  1.470
   62    63   469.000  1.400
   62    77   469.000  1.400
   63    64   469.000  1.400
   63    65   317.000  1.510
   64    68   469.000  1.400
   64    69   317.000  1.510
   68    75   469.000  1.400
   68    86   469.000  1.400
   75    76   469.000  1.400
   75    77   469.000  1.400
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   78    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   300.000  1.725
   80    81   553.000  0.945
   77    82   450.000  1.364
   82    83   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   60    61   553.000  0.945
   44    45   570.000  1.229
   44    55   490.000  1.335
   55    56   434.000  1.010
   55    57   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    44    70.00000  119.70000
   33    39    73    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    46    65.00000  122.18000
   38    44    45    80.00000  125.30000
   38    44    55    80.00000  111.56200
   41    46    58    70.00000  109.06800
   41    46    73    70.00000  112.02700
   41    46    60    90.00000  110.39200
   46    41    42    85.00000  112.85300
   46    58    59    80.00000  120.40000
   46    58    62    65.00000  115.47100
   46    73    65    58.35000  112.70000
   46    73    74    37.50000  110.70000
   46    73    39    58.35000  112.70000
   46    60    61    55.00000  108.50000
   58    62    63    60.00000  119.52600
   58    62    77    60.00000  119.52600
   62    58    59    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    82    70.00000  120.00000
   63    64    68    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    73    70.00000  112.17500
   64    68    75    63.00000  120.00000
   64    68    86    63.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   68    75    76    63.00000  120.00000
   68    75    77    63.00000  120.00000
   68    86    84    63.00000  120.00000
   68    86    87    75.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    82    70.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    84    63.00000  120.00000
   76    80    81    35.00000  113.00000
   78    84    85    35.00000  120.00000
   78    84    86    63.00000  120.00000
   84    78    79    35.00000  120.00000
   84    86    87    75.00000  120.00000
   86    68    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   80    76    78    70.00000  120.00000
   77    62    63    63.00000  120.00000
   77    75    76    63.00000  120.00000
   77    82    83    35.00000  113.00000
   69    64    68    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    73    74    37.50000  110.70000
   65    73    39    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    46    58    63.00000  111.10000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    39    40    37.50000  110.70000
   73    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    73    74    37.50000  110.70000
   39    43    47    51.80000  107.20000
   39    43    51    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   60    46    58    90.00000  109.61100
   60    46    73    50.00000  109.50000
   44    38    41    60.00000  120.04000
   44    55    56    35.00000  119.80000
   44    55    57    35.00000  119.80000
   55    44    45    80.00000  122.90000
   57    55    56    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    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   29    33    39    73   0.44750  1.0 1.0
   29    33    39    73  -0.17800 -1.0 2.0
   29    33    39    73   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    46   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    55   1.59650  1.0 1.0
   33    38    44    55   0.42750 -1.0 2.0
   33    38    44    55  -0.48350  1.0 3.0
   33    39    43    47   0.23450  1.0 1.0
   33    39    43    47   0.02050 -1.0 2.0
   33    39    43    47   0.25250  1.0 3.0
   33    39    43    51   0.23450  1.0 1.0
   33    39    43    51   0.02050 -1.0 2.0
   33    39    43    51   0.25250  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    44   0.09700  1.0 1.0
   34    33    38    44   0.15600 -1.0 2.0
   34    33    38    44  -0.50800  1.0 3.0
   34    33    39    73   0.62750  1.0 1.0
   34    33    39    73  -0.30950 -1.0 2.0
   34    33    39    73   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    73   0.34400  1.0 1.0
   38    33    39    73   0.09450 -1.0 2.0
   38    33    39    73   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    46    58  -0.51250  1.0 1.0
   38    41    46    58  -0.88800 -1.0 2.0
   38    41    46    58   0.08850  1.0 3.0
   38    41   -46    73   0.09850  1.0 1.0
   38    41   -46    73   0.15250 -1.0 2.0
   38    41   -46    73  -0.50650  1.0 3.0
   38    41    46    60   0.67800  1.0 1.0
   38    41    46    60   0.47050 -1.0 2.0
   38    41    46    60  -0.62500  1.0 3.0
   38    44    55    56   2.56700 -1.0 2.0
   38    44    55    57   2.56700 -1.0 2.0
   41    38    44    45   1.00000 -1.0 2.0
   41    38    44    55   0.49500  1.0 1.0
   41    38    44    55   1.31600 -1.0 2.0
   41    38    44    55  -0.02300  1.0 3.0
   41    46    58    59   0.30150 -1.0 2.0
   41    46    58    62   0.65300  1.0 1.0
   41    46    58    62  -0.03850 -1.0 2.0
   41    46    58    62   0.33900  1.0 3.0
   41    46    73    65   0.34400  1.0 1.0
   41    46    73    65   0.09450 -1.0 2.0
   41    46    73    65   0.11100  1.0 3.0
   41    46    73    74   0.15000  1.0 3.0
   41    46    73    39   0.34400  1.0 1.0
   41    46    73    39   0.09450 -1.0 2.0
   41    46    73    39   0.11100  1.0 3.0
   41    46    60    61  -0.07800  1.0 1.0
   41    46    60    61  -0.21500 -1.0 2.0
   41    46    60    61  -0.03150  1.0 3.0
   42    41    46    58   0.09700  1.0 1.0
   42    41    46    58   0.15600 -1.0 2.0
   42    41    46    58  -0.50800  1.0 3.0
   42    41    46    73   0.09700  1.0 1.0
   42    41    46    73   0.15600 -1.0 2.0
   42    41    46    73  -0.50800  1.0 3.0
   42    41    46    60   0.09700  1.0 1.0
   42    41    46    60   0.15600 -1.0 2.0
   42    41    46    60  -0.50800  1.0 3.0
   46    58    62    63   2.26350  1.0 1.0
   46    58    62    63   0.76750 -1.0 2.0
   46    58    62    63   0.22500  1.0 3.0
   46    58    62    77   2.26350  1.0 1.0
   46    58    62    77   0.76750 -1.0 2.0
   46    58    62    77   0.22500  1.0 3.0
   46    73   -39    33   0.56750  1.0 1.0
   46    73   -39    33  -0.07550 -1.0 2.0
   46    73   -39    33   0.20000  1.0 3.0
   46    73    39    40   0.15000  1.0 3.0
   46    73    39    43   1.85550  1.0 1.0
   46    73    39    43  -0.84100 -1.0 2.0
   58    46    73    65  -0.95700  1.0 1.0
   58    46    73    65  -0.18200 -1.0 2.0
   58    46    73    65   0.29450  1.0 3.0
   58    46    73    74  -0.11250  1.0 3.0
   58    46    73    39  -0.95700  1.0 1.0
   58    46    73    39  -0.18200 -1.0 2.0
   58    46    73    39   0.29450  1.0 3.0
   58    46    60    61   0.91850  1.0 1.0
   58    46    60    61   0.57950  1.0 3.0
   58    62    63    64   3.62500 -1.0 2.0
   58    62   -63    65   3.62500 -1.0 2.0
   58    62    77    75   3.62500 -1.0 2.0
   58    62    77    82   3.62500 -1.0 2.0
   59    58    62    63   1.05000 -1.0 2.0
   59    58    62    77   1.05000 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63    64    69   3.62500 -1.0 2.0
   62    63    65    66   0.00000  1.0 1.0
   62    63    65    67   0.00000  1.0 1.0
   62    63    65    73   0.04150 -1.0 2.0
   62    77    82    83   0.84100 -1.0 2.0
   63    62    77    75   3.62500 -1.0 2.0
   63    62    77    82   3.62500 -1.0 2.0
   63    64   -68    75   3.62500 -1.0 2.0
   63    64    68    86   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    72   0.00000  1.0 1.0
   63    65   -73    46  -0.03700  1.0 1.0
   63    65   -73    46   0.37200 -1.0 2.0
   63    65   -73    46  -0.47300  1.0 3.0
   63    65    73    74   0.43200  1.0 3.0
   63    65    73    39  -0.03700  1.0 1.0
   63    65    73    39   0.37200 -1.0 2.0
   63    65    73    39  -0.47300  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    73   0.04150 -1.0 2.0
   64    68    75    76   3.62500 -1.0 2.0
   64    68    75    77   3.62500 -1.0 2.0
   64    68    86    84   3.62500 -1.0 2.0
   64    68    86    87   3.62500 -1.0 2.0
   68    64    69    70   0.00000  1.0 1.0
   68    64    69    71   0.00000  1.0 1.0
   68    64    69    72   0.00000  1.0 1.0
   68    75    76    78   3.62500 -1.0 2.0
   68    75    76    80   3.62500 -1.0 2.0
   68    75   -77    62   3.62500 -1.0 2.0
   68    75    77    82   3.62500 -1.0 2.0
   75    68    86    84   3.62500 -1.0 2.0
   75    68    86    87   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76   -78    84   3.62500 -1.0 2.0
   75    76    80    81   0.84100 -1.0 2.0
   75    77    82    83   0.84100 -1.0 2.0
   76    75    77    62   3.62500 -1.0 2.0
   76    75    77    82   3.62500 -1.0 2.0
   76    78    84    85   3.62500 -1.0 2.0
   76    78    84    86   3.62500 -1.0 2.0
   78    76    80    81   0.84100 -1.0 2.0
   78    84   -86    68   3.62500 -1.0 2.0
   78    84    86    87   3.62500 -1.0 2.0
   79    78    84    85   3.62500 -1.0 2.0
   79    78    84    86   3.62500 -1.0 2.0
   85    84    86    68   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    68   -75    76   3.62500 -1.0 2.0
   86    68    75    77   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   80    76    78    84   3.62500 -1.0 2.0
   77    62   -63    64   3.62500 -1.0 2.0
   77    62    63    65   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   69    64    68    75   3.62500 -1.0 2.0
   69    64    68    86   3.62500 -1.0 2.0
   65    63    64    68   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   65    73    39    33   0.56750  1.0 1.0
   65    73    39    33  -0.07550 -1.0 2.0
   65    73    39    33   0.20000  1.0 3.0
   65    73    39    40   0.15000  1.0 3.0
   65    73    39    43   1.85550  1.0 1.0
   65    73    39    43  -0.84100 -1.0 2.0
   66    65    73    46   0.15000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    39   0.15000  1.0 3.0
   67    65    73    46   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    39   0.15000  1.0 3.0
   73    46    58    59   0.30150 -1.0 2.0
   73    46   -58    62   0.05850 -1.0 2.0
   73    46   -58    62   0.17250  1.0 3.0
   73    46    60    61  -0.11600  1.0 1.0
   73    46    60    61  -0.09450 -1.0 2.0
   73    46    60    61   0.21250  1.0 3.0
   73    39    43    47   0.23450  1.0 1.0
   73    39    43    47   0.02050 -1.0 2.0
   73    39    43    47   0.25250  1.0 3.0
   73    39    43    51   0.23450  1.0 1.0
   73    39    43    51   0.02050 -1.0 2.0
   73    39    43    51   0.25250  1.0 3.0
   74    73    39    33   0.15000  1.0 3.0
   74    73    39    40   0.15000  1.0 3.0
   74    73    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    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    43    47    48   0.28000  1.0 3.0
   39    43    47    49   0.28000  1.0 3.0
   39    43    47    50   0.28000  1.0 3.0
   39    43    51    52   0.28000  1.0 3.0
   39    43    51    53   0.28000  1.0 3.0
   39    43    51    54   0.28000  1.0 3.0
   40    39    43    47   0.28000  1.0 3.0
   40    39    43    51   0.28000  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    50   0.28000  1.0 3.0
   60    46    58    59   0.30150 -1.0 2.0
   60    46    58    62   0.65300  1.0 1.0
   60    46    58    62  -0.03850 -1.0 2.0
   60    46    58    62   0.33900  1.0 3.0
   60    46    73    65   0.86500  1.0 1.0
   60    46    73    65  -0.17500 -1.0 2.0
   60    46    73    65   0.20800  1.0 3.0
   60    46    73    74   0.23400  1.0 3.0
   60    46    73    39   0.86500  1.0 1.0
   60    46    73    39  -0.17500 -1.0 2.0
   60    46    73    39   0.20800  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    46   7.00000 -1.0 2.0
   45    44    55    56   2.45000 -1.0 2.0
   45    44    55    57   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    44    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   46    62    58    59  10.50000 -1.0 2.0
   63    77    62    58   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   68    69    64    63   4.00000 -1.0 2.0
   75    86    68    64   4.00000 -1.0 2.0
   76    77    75    68   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   84    79    78    76   1.10000 -1.0 2.0
   86    85    84    78   1.10000 -1.0 2.0
   84    87    86    68   4.00000 -1.0 2.0
   75    82    77    62   4.00000 -1.0 2.0
   38    55    44    45  10.50000 -1.0 2.0
   57    44    55    56   1.00000 -1.0 2.0
END
