* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    165    270     494
    1     0 S   NP   _N1_     1    30.82550    94.77162   -15.74385
    2     1 S   H    _HN1     2     1.03340   125.96211    21.85487
    3     1 S   H    _H1_     3     1.03039   115.84432   159.36002
    4     1 S   H    _H2_     4     1.02702    28.90231    80.01782
    5     1 S   CT   _CA1     5     1.50065    83.16428   -91.10154
    6     5 S   HC   _HA1     6     1.09559   105.39554    62.71852
    7     5 S   CO3  _C1_     7     1.53701   112.70678   -57.89084
    8     7 S   O2Z  _O11     8     1.26363   115.18634   -44.68643
    9     7 S   O2Z  _O12     9     1.26276   114.90981   134.74982
   10     5 S   CT   _CB1    10     1.52839   107.05191  -179.49876
   11    10 S   HC   HB11    11     1.09806   109.02954   -54.23021
   12    10 S   HC   HB12    12     1.09752   109.80692    61.75947
   13    10 S   CT   _CG1    13     1.53078   113.84483  -175.75619
   14    13 S   HC   HG11    14     1.09552   111.22876   -72.61801
   15    13 S   HC   HG12    15     1.09589   110.56897    47.16661
   16    13 S   C    _CD1    16     1.51568   110.14175   166.56628
   17    16 S   O    _OE1    17     1.22833   121.71011  -113.23703
   18    16 S   N    _N2_    18     1.38444   112.89186    65.59311
   19    18 S   H    _HN2    19     1.01561   119.14937     5.74651
   20    18 S   CT1  _CA2    20     1.46193   123.38475  -171.14064
   21    20 S   HC   _HA2    21     1.09728   109.34859   -14.01314
   22    20 S   C    _C2_    22     1.53334   108.50090  -130.01515
   23    22 S   O    _O2_    23     1.23009   122.31640  -146.16882
   24    20 S   CT   _CB2    32     1.53889   111.10678   107.70150
   25    24 S   HC   HB21    33     1.09342   109.18547    58.24981
   26    24 S   HC   HB22    34     1.09488   109.70433   176.81912
   27    22 S   N    _N3_    24     1.38538   113.34020    41.25743
   28    27 S   H    _HN3    25     1.01537   118.88914    -0.56786
   29    24 S   S    _SG2    35     1.83628   111.02115   -63.47076
   30    27 S   CT   _CA3    26     1.45424   123.32596   175.37077
   31    30 S   HC   HA31    27     1.09535   109.05807    27.51580
   32    30 S   HC   HA32    28     1.09493   107.15564   144.45867
   33    29 S   CT   _C20    36     1.88341   103.67526   170.40136
   34    33 S   OM   _O38    37     1.31850   108.77442    47.79881
   35    30 S   CO3  _C3_    29     1.52925   113.28821   -95.86361
   36    35 S   O2Z  _O31    30     1.26391   115.48619   -43.69771
   37    35 S   O2Z  _O32    31     1.26372   114.94413   137.32212
   38    33 S   CT   _C21    38     1.56503   108.20488   -69.89782
   39    38 S   HC   _H5_    39     1.09998   108.81072    51.58756
   40    33 S   CT   _C19    72     1.58381   111.04510   171.24958
   41    40 S   HC   _H4_    73     1.09489   108.30030   176.17531
   42    38 S   CO4  _C22    40     1.52982   110.73729   -64.42580
   43    42 S   O    _O36    41     1.23656   118.50382   135.21005
   44    40 S   NP   _N5_    74     1.55484   116.70308   -70.20482
   45    44 S   H    _H17    75     1.02368   104.00095   179.33265
   46    38 S   C    _C23    84     1.54395   116.93492   169.54955
   47    46 S   O    _O37    85     1.22729   125.04199    23.86445
   48    42 S   CT   _C16    42     1.54639   117.55016   -51.50651
   49    48 S   OM   _O39    43     1.32496   106.69304   165.54071
   50    44 S   CT   _C24    76     1.51104   114.87439   -70.66784
   51    50 S   HC   _H18    77     1.09145   109.64273    83.58114
   52    50 S   HC   _H19    78     1.09431   107.30291  -157.57171
   53    50 S   HC   _H20    79     1.09280   108.83196   -39.34947
   54    44 S   CT   _C25    80     1.49957   118.28835    63.61889
   55    54 S   HC   _H21    81     1.09133   109.30336   -77.69241
   56    54 S   HC   _H22    82     1.09075   109.36232    45.58166
   57    54 S   HC   _H23    83     1.09433   107.43482   163.65896
   58    46 S   N    _N4_    86     1.37910   112.84861  -157.79748
   59    58 S   H    _H15    87     1.01444   122.47892    -0.85042
   60    58 S   H    _H16    88     1.01365   120.31512  -179.29668
   61    48 S   CO4  _C15    44     1.53639   110.41647   -80.66303
   62    61 S   O    _O35    45     1.23285   121.01133   -40.74193
   63    61 S   CA   _C7_    46     1.50472   120.12556   138.90429
   64    63 S   CA   _C6_    47     1.39729   119.76660    14.14608
   65    64 S   CA   _C5_    48     1.42285   119.56774   175.81788
   66    64 S   CT   _C18    67     1.51154   119.11998    -2.18409
   67    66 S   HC   _H13    68     1.09797   107.78318    86.92520
   68    66 S   HC   _H14    69     1.09217   112.18389  -158.08903
   69    65 S   CA   _C10    49     1.44926   121.51125    10.51399
   70    65 S   CT   _C4_    63     1.51634   117.36715  -167.19459
   71    70 S   HC   _H6_    64     1.09345   110.77661   -95.06711
   72    70 S   HC   _H7_    65     1.09472   112.10173    26.31327
   73    70 S   HC   _H8_    66     1.09360   110.98451   140.66900
   74    48 S   CT   _C17    70     1.55106   112.44726    45.82468
   75    74 S   HC   _H3_    71     1.09933   108.96256    72.71224
   76    69 S   CA   _C9_    50     1.42913   117.24794   -11.34524
   77    76 S   CA   _C14    51     1.42953   118.59783  -174.76501
   78    63 S   CA   _C8_    60     1.40542   121.10744  -166.58006
   79    77 S   CA   _C13    52     1.39085   122.98231    -2.19401
   80    79 S   HA   _H10    53     1.08596   121.41865  -179.78878
   81    77 S   OH   _O33    58     1.37597   120.42995   177.80536
   82    81 S   HO   _H11    59     0.97155   109.67391   179.81762
   83    78 S   OH   _O34    61     1.37819   119.92527     0.32924
   84    83 S   HO   _H12    62     0.97230   109.99738    -3.46402
   85    79 S   CA   _C12    54     1.37675   119.05160    -1.66707
   86    85 S   HA   _H9_    55     1.08773   118.83936  -176.90168
   87    69 S   CA   _C11    56     1.44305   126.54431   168.43438
   88    87 S   Cl   Cl1_    57     1.74041   124.08071   -10.66306
  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
  18   8   2   1   1  15   7  22   8  12   5  13   9   5   3  11
   6   8   3   2   1   4   2   1   1   2   1   1  10   4  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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    74    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    66    74    75    40    41    44    45    50    54    46    47    58  
   38    39    42    74    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    49    61    74    40    41    44    46    47    58    59    60  
   42    43    48    40    46    47    58  
   41    44    45    50    51    52    53    54    55    56    57    46    42    48    49    61    64    66    67    68    74    75  
   44    45    50    54    48    66    74    75  
   43    48    49    61    62    63    66    74    75    46    47    58  
   48    49    61    74    46  
   45    50    51    52    53    54    55    56    57    48    66    74    75  
   50    51    52    53    54    55    56    57    74  
   47    58    59    60    48  
   58    59    60  
   49    61    62    63    64    78    66    67    68    74    75  
   61    62    63    66    74    75  
   51    52    53    54    55    56    57    74  
   52    53    54  
   53    54  
   54  
   55    56    57    74  
   56    57  
   57  
    0  
   59    60  
   60  
    0  
   62    63    64    65    76    78    83    66    74    75  
   63    64    78    74  
   64    65    69    76    77    78    83    84    70    66    67    68    74  
   65    69    76    87    78    83    70    71    72    73    66    67    68    74    75  
   69    76    77    85    87    88    78    70    71    72    73    66    67    68    74  
   67    68    74    75    69    70    78  
   68    74    75  
   74    75  
   76    77    79    85    86    87    88    81    78    83    70    71    72    73  
   71    72    73    76    87  
   72    73  
   73  
    0  
   75  
    0  
   77    79    80    85    87    88    81    82    78    83    84  
   79    80    85    86    87    81    82    78    83  
   83    84    79    81    87  
   80    85    86    87    88    81    82  
   85    86    87    81  
   82    85  
    0  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   88   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   570.000  1.307
   48    61   317.000  1.522
   48    74   268.000  1.529
   61    62   570.000  1.229
   61    63   310.000  1.470
   63    64   469.000  1.400
   63    78   469.000  1.400
   64    65   469.000  1.400
   64    66   317.000  1.510
   65    69   469.000  1.400
   65    70   317.000  1.510
   69    76   469.000  1.400
   69    87   469.000  1.400
   76    77   469.000  1.400
   76    78   469.000  1.400
   77    79   469.000  1.400
   77    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   300.000  1.725
   81    82   553.000  0.945
   78    83   450.000  1.364
   83    84   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    50   367.000  1.471
   44    54   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    58   490.000  1.335
   58    59   434.000  1.010
   58    60   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    58    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    48    49    90.00000  108.74100
   42    48    61    75.00000  107.99600
   42    48    74    63.00000  111.10000
   48    42    43    80.00000  120.40000
   48    61    62    80.00000  120.40000
   48    61    63    65.00000  115.47100
   48    74    66    58.35000  112.70000
   48    74    75    37.50000  110.70000
   48    74    40    58.35000  112.70000
   61    48    49    90.00000  108.74100
   61    63    64    60.00000  119.52600
   61    63    78    60.00000  119.52600
   63    61    62    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    83    70.00000  120.00000
   64    65    69    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    74    70.00000  112.17500
   65    69    76    63.00000  120.00000
   65    69    87    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   69    76    77    63.00000  120.00000
   69    76    78    63.00000  120.00000
   69    87    85    63.00000  120.00000
   69    87    88    75.00000  120.00000
   76    77    79    63.00000  120.00000
   76    77    81    70.00000  120.00000
   76    78    83    70.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    85    63.00000  120.00000
   77    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    75.00000  120.00000
   87    69    76    63.00000  120.00000
   87    85    86    35.00000  120.00000
   81    77    79    70.00000  120.00000
   78    63    64    63.00000  120.00000
   78    76    77    63.00000  120.00000
   78    83    84    35.00000  113.00000
   70    65    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    74    75    37.50000  110.70000
   66    74    40    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    48    49    50.00000  109.50000
   74    48    61    63.00000  111.10000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    40    41    37.50000  110.70000
   74    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    50    75.00000  113.01200
   40    44    54    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   44    54    55    35.00000  109.50000
   44    54    56    35.00000  109.50000
   44    54    57    35.00000  109.50000
   50    44    45    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    50    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    38    39    35.00000  109.50000
   46    38    42    70.00000  107.85200
   46    58    59    35.00000  119.80000
   46    58    60    35.00000  119.80000
   58    46    47    80.00000  122.90000
   60    58    59    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   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    58   1.39750  1.0 1.0
   33    38    46    58  -0.07950 -1.0 2.0
   33    38    46    58  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    50   0.47100  1.0 1.0
   33    40    44    54   0.47100  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    74   0.62750  1.0 1.0
   34    33    40    74  -0.30950 -1.0 2.0
   34    33    40    74   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    74   0.56750  1.0 1.0
   38    33    40    74  -0.07550 -1.0 2.0
   38    33    40    74   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    48    49   0.55300  1.0 1.0
   38    42    48    49   1.25850 -1.0 2.0
   38    42    48    49  -0.23600  1.0 3.0
   38    42    48    61   0.65300  1.0 1.0
   38    42    48    61  -0.03850 -1.0 2.0
   38    42    48    61   0.33900  1.0 3.0
   38    42   -48    74   0.60050  1.0 1.0
   38    42   -48    74   0.05600 -1.0 2.0
   38    42   -48    74   0.26150  1.0 3.0
   38    46    58    59   2.45000 -1.0 2.0
   38    46    58    60   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    58   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    58   0.00000  1.0 1.0
   42    48    61    62   0.30150 -1.0 2.0
   42    48    61    63   0.65300  1.0 1.0
   42    48    61    63  -0.03850 -1.0 2.0
   42    48    61    63   0.33900  1.0 3.0
   42    48    74    66  -0.95700  1.0 1.0
   42    48    74    66  -0.18200 -1.0 2.0
   42    48    74    66   0.29450  1.0 3.0
   42    48    74    75  -0.11250  1.0 3.0
   42    48    74    40  -0.95700  1.0 1.0
   42    48    74    40  -0.18200 -1.0 2.0
   42    48    74    40   0.29450  1.0 3.0
   43    42    48    49   0.30150 -1.0 2.0
   43    42    48    61   0.30150 -1.0 2.0
   43    42    48    74   0.30150 -1.0 2.0
   48    61    63    64   2.26350  1.0 1.0
   48    61    63    64   0.76750 -1.0 2.0
   48    61    63    64   0.22500  1.0 3.0
   48    61    63    78   2.26350  1.0 1.0
   48    61    63    78   0.76750 -1.0 2.0
   48    61    63    78   0.22500  1.0 3.0
   48    74   -40    33   0.56750  1.0 1.0
   48    74   -40    33  -0.07550 -1.0 2.0
   48    74   -40    33   0.20000  1.0 3.0
   48    74    40    41   0.15000  1.0 3.0
   48    74    40    44   1.36600  1.0 1.0
   48    74    40    44  -0.11450 -1.0 2.0
   48    74    40    44   0.24250  1.0 3.0
   49    48    61    62   0.30150 -1.0 2.0
   49    48    61    63   0.65300  1.0 1.0
   49    48    61    63  -0.03850 -1.0 2.0
   49    48    61    63   0.33900  1.0 3.0
   49    48    74    66   0.62750  1.0 1.0
   49    48    74    66  -0.30950 -1.0 2.0
   49    48    74    66   0.27300  1.0 3.0
   49    48    74    75   0.23400  1.0 3.0
   49    48    74    40   0.62750  1.0 1.0
   49    48    74    40  -0.30950 -1.0 2.0
   49    48    74    40   0.27300  1.0 3.0
   61    48    74    66  -0.95700  1.0 1.0
   61    48    74    66  -0.18200 -1.0 2.0
   61    48    74    66   0.29450  1.0 3.0
   61    48    74    75  -0.11250  1.0 3.0
   61    48    74    40  -0.95700  1.0 1.0
   61    48    74    40  -0.18200 -1.0 2.0
   61    48    74    40   0.29450  1.0 3.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63   -64    66   3.62500 -1.0 2.0
   61    63    78    76   3.62500 -1.0 2.0
   61    63    78    83   3.62500 -1.0 2.0
   62    61    63    64   1.05000 -1.0 2.0
   62    61    63    78   1.05000 -1.0 2.0
   63    64    65    69   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    66    67   0.00000  1.0 1.0
   63    64    66    68   0.00000  1.0 1.0
   63    64    66    74   0.04150 -1.0 2.0
   63    78    83    84   0.84100 -1.0 2.0
   64    63    78    76   3.62500 -1.0 2.0
   64    63    78    83   3.62500 -1.0 2.0
   64    65   -69    76   3.62500 -1.0 2.0
   64    65    69    87   3.62500 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.00000  1.0 1.0
   64    65    70    73   0.00000  1.0 1.0
   64    66   -74    48  -0.03700  1.0 1.0
   64    66   -74    48   0.37200 -1.0 2.0
   64    66   -74    48  -0.47300  1.0 3.0
   64    66    74    75   0.43200  1.0 3.0
   64    66    74    40  -0.03700  1.0 1.0
   64    66    74    40   0.37200 -1.0 2.0
   64    66    74    40  -0.47300  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    74   0.04150 -1.0 2.0
   65    69    76    77   3.62500 -1.0 2.0
   65    69    76    78   3.62500 -1.0 2.0
   65    69    87    85   3.62500 -1.0 2.0
   65    69    87    88   3.62500 -1.0 2.0
   69    65    70    71   0.00000  1.0 1.0
   69    65    70    72   0.00000  1.0 1.0
   69    65    70    73   0.00000  1.0 1.0
   69    76    77    79   3.62500 -1.0 2.0
   69    76    77    81   3.62500 -1.0 2.0
   69    76   -78    63   3.62500 -1.0 2.0
   69    76    78    83   3.62500 -1.0 2.0
   76    69    87    85   3.62500 -1.0 2.0
   76    69    87    88   3.62500 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77   -79    85   3.62500 -1.0 2.0
   76    77    81    82   0.84100 -1.0 2.0
   76    78    83    84   0.84100 -1.0 2.0
   77    76    78    63   3.62500 -1.0 2.0
   77    76    78    83   3.62500 -1.0 2.0
   77    79    85    86   3.62500 -1.0 2.0
   77    79    85    87   3.62500 -1.0 2.0
   79    77    81    82   0.84100 -1.0 2.0
   79    85   -87    69   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    69   -76    77   3.62500 -1.0 2.0
   87    69    76    78   3.62500 -1.0 2.0
   81    77    79    80   3.62500 -1.0 2.0
   81    77    79    85   3.62500 -1.0 2.0
   78    63   -64    65   3.62500 -1.0 2.0
   78    63    64    66   3.62500 -1.0 2.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    81   3.62500 -1.0 2.0
   70    65    69    76   3.62500 -1.0 2.0
   70    65    69    87   3.62500 -1.0 2.0
   66    64    65    69   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
   66    74    40    33   0.56750  1.0 1.0
   66    74    40    33  -0.07550 -1.0 2.0
   66    74    40    33   0.20000  1.0 3.0
   66    74    40    41   0.15000  1.0 3.0
   66    74    40    44   1.36600  1.0 1.0
   66    74    40    44  -0.11450 -1.0 2.0
   66    74    40    44   0.24250  1.0 3.0
   67    66    74    48   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    40   0.15000  1.0 3.0
   68    66    74    48   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    40   0.15000  1.0 3.0
   74    48    61    62   0.30150 -1.0 2.0
   74    48   -61    63   0.05850 -1.0 2.0
   74    48   -61    63   0.17250  1.0 3.0
   74    40    44    45   0.17350  1.0 3.0
   74    40    44    50   0.47100  1.0 1.0
   74    40    44    54   0.47100  1.0 1.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   40    44    54    55   0.15000  1.0 3.0
   40    44    54    56   0.15000  1.0 3.0
   40    44    54    57   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    54   0.15000  1.0 3.0
   45    44    50    51   0.13050  1.0 3.0
   45    44    50    52   0.13050  1.0 3.0
   45    44    50    53   0.13050  1.0 3.0
   45    44    54    55   0.13050  1.0 3.0
   45    44    54    56   0.13050  1.0 3.0
   45    44    54    57   0.13050  1.0 3.0
   50    44    54    55   0.15000  1.0 3.0
   50    44    54    56   0.15000  1.0 3.0
   50    44    54    57   0.15000  1.0 3.0
   54    44    50    51   0.15000  1.0 3.0
   54    44    50    52   0.15000  1.0 3.0
   54    44    50    53   0.15000  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    58    59   2.45000 -1.0 2.0
   47    46    58    60   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
   38    48    42    43  10.50000 -1.0 2.0
   48    63    61    62  10.50000 -1.0 2.0
   64    78    63    61   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   69    70    65    64   4.00000 -1.0 2.0
   76    87    69    65   4.00000 -1.0 2.0
   77    78    76    69   4.00000 -1.0 2.0
   79    81    77    76   4.00000 -1.0 2.0
   85    80    79    77   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   85    88    87    69   4.00000 -1.0 2.0
   76    83    78    63   4.00000 -1.0 2.0
   38    58    46    47  10.50000 -1.0 2.0
   60    46    58    59   1.00000 -1.0 2.0
END
