* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    151    249     452
    1     0 S   NP   _N1_     1    29.39863    96.84913   -21.60036
    2     1 S   H    _HN1     2     1.02866    77.90081    14.04248
    3     1 S   H    _H1_     3     1.02952    40.14539   150.70533
    4     1 S   H    _H2_     4     1.02789    92.32592   -94.09274
    5     1 S   CT   _CA1     5     1.50548   148.15210   124.86431
    6     5 S   HC   _HA1     6     1.09695   104.62383    80.48955
    7     5 S   CO3  _C1_     7     1.54446   110.71060   -35.39115
    8     7 S   O2Z  _O11     8     1.26031   116.71060  -114.05604
    9     7 S   O2Z  _O12     9     1.26584   113.67833    64.40567
   10     5 S   CT   _CB1    10     1.53085   106.94930  -163.65986
   11    10 S   HC   HB11    11     1.09830   109.81807   -44.03471
   12    10 S   HC   HB12    12     1.09786   110.28371    72.62089
   13    10 S   CT   _CG1    13     1.53024   112.36628  -164.75000
   14    13 S   HC   HG11    14     1.09470   110.53909   -56.62257
   15    13 S   HC   HG12    15     1.09634   110.11315    62.23425
   16    13 S   C    _CD1    16     1.51834   111.94008  -177.95015
   17    16 S   O    _OE1    17     1.22763   123.07786   -17.00257
   18    16 S   N    _N2_    18     1.38481   111.83386   163.98443
   19    18 S   H    _HN2    19     1.01678   118.98283    -0.39366
   20    18 S   CT1  _CA2    20     1.46248   123.59648  -175.93822
   21    20 S   HC   _HA2    21     1.09707   109.54242   -10.78138
   22    20 S   C    _C2_    22     1.53379   108.72048  -126.99650
   23    22 S   O    _O2_    23     1.23051   122.18717  -147.44616
   24    20 S   CT   _CB2    32     1.53515   110.70672   111.25697
   25    24 S   HC   HB21    33     1.09107   108.26223    55.45594
   26    24 S   HC   HB22    34     1.09443   110.75928   174.05116
   27    22 S   N    _N3_    24     1.38482   113.47416    40.11851
   28    27 S   H    _HN3    25     1.01522   118.85511    -0.95470
   29    24 S   S    _SG2    35     1.82633   111.34573   -65.89070
   30    27 S   CT   _CA3    26     1.45420   123.33880   175.15564
   31    30 S   HC   HA31    27     1.09535   109.08621    27.32587
   32    30 S   HC   HA32    28     1.09493   107.16694   144.28194
   33    29 S   CT   _C20    36     1.87102   102.61613   155.40524
   34    33 S   OM   _O38    37     1.32705   105.37789  -174.23714
   35    30 S   CO3  _C3_    29     1.52921   113.19408   -96.05762
   36    35 S   O2Z  _O31    30     1.26397   115.42964   -44.80263
   37    35 S   O2Z  _O32    31     1.26363   114.97683   136.15131
   38    33 S   CM   _C21    38     1.53623   112.17169   -59.26000
   39    33 S   CT   _C19    70     1.58178   108.45155    67.73035
   40    39 S   HC   _H4_    71     1.09638   111.69492    -3.36191
   41    38 S   CMA  _C23    39     1.36412   124.61462   146.91860
   42    41 S   OM   _O37    40     1.26489   130.77858   176.60466
   43    39 S   NP   _N5_    72     1.51028   110.59200   110.62471
   44    43 S   H    _H16    73     1.02836   109.52781   -49.77989
   45    43 S   H    _H17    74     1.02613   113.23113  -171.69314
   46    43 S   H    _H18    75     1.03018   109.30827    66.49883
   47    38 S   C    _C22    78     1.50814   119.67057   -34.07165
   48    47 S   O    _O36    79     1.22787   122.26659   113.83774
   49    41 S   CT   _C16    41     1.54176   116.72428    -2.19553
   50    47 S   N    _N4_    80     1.37227   113.63492   -65.51334
   51    50 S   H    _H14    81     1.01499   121.44716     1.44767
   52    50 S   H    _H15    82     1.01642   121.05118   178.75715
   53    49 S   CO4  _C15    42     1.54403   116.60309  -162.17194
   54    53 S   O    _O35    43     1.23106   121.48650   -96.93497
   55    49 S   OH   _O39    76     1.43794   108.14833    80.66118
   56    55 S   HO   _H19    77     0.97427   106.40526    52.71002
   57    53 S   CA   _C7_    44     1.49939   118.81074    83.02970
   58    57 S   CA   _C6_    45     1.39625   119.69836    13.13116
   59    58 S   CA   _C5_    46     1.42697   119.37162  -177.82867
   60    58 S   CT   _C18    65     1.51587   120.31845    -0.10468
   61    60 S   HC   _H12    66     1.09716   109.26493   139.93034
   62    60 S   HC   _H13    67     1.09082   106.92630  -103.08586
   63    59 S   CA   _C10    47     1.45288   121.73615    -8.15411
   64    59 S   CT   _C4_    61     1.51818   117.39877   170.33802
   65    64 S   HC   _H5_    62     1.09383   110.59269  -136.20289
   66    64 S   HC   _H6_    63     1.09325   113.08623   -21.17789
   67    64 S   HC   _H7_    64     1.09347   110.56113    99.69055
   68    49 S   CT   _C17    68     1.53053   112.42860   -38.60776
   69    68 S   HC   _H3_    69     1.10179   108.57042   175.99054
   70    63 S   CA   _C9_    48     1.42999   117.16341     9.37067
   71    70 S   CA   _C14    49     1.42983   118.73203   175.49198
   72    57 S   CA   _C8_    58     1.40519   120.94597  -166.73515
   73    71 S   CA   _C13    50     1.39033   123.01858     1.75089
   74    73 S   HA   _H9_    51     1.08590   121.45262   179.82641
   75    71 S   OH   _O33    56     1.37611   120.46248  -178.43452
   76    75 S   HO   _H10    57     0.97151   109.68866   179.79826
   77    72 S   OH   _O34    59     1.37859   119.79624     2.14940
   78    77 S   HO   _H11    60     0.97237   110.09038     0.63118
   79    73 S   CA   _C12    52     1.37620   119.00831     1.48517
   80    79 S   HA   _H8_    53     1.08781   118.78462   177.36849
   81    63 S   CA   _C11    54     1.44485   126.81131  -170.59707
   82    81 S   Cl   Cl1_    55     1.74000   124.36618     9.10731
  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
  17   7   2   1   1  14  16   8  13   5   7   3   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    68    39    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    60    68    69    39    40    43    44    45    46    47    48    50  
   38    41    68    39    40    43    47  
   36    37  
   37  
    0  
   41    42    49    53    68    39    40    43    55    47    48    50    51    52  
   40    43    44    45    46    55    47    41    49    53    58    60    61    62    68    69  
   43    44    45    46    49    60    68    69  
   42    49    53    54    57    60    68    69    55    56    47    48    50  
   49    53    68    55    47  
   44    45    46    49    60    68    69  
   45    46    68  
   46    68  
   68  
   48    50    51    52    49  
   50    51    52  
   53    54    57    58    72    60    61    62    68    69    55    56  
   51    52  
   52  
    0  
   54    57    58    59    70    72    77    60    68    69    55    56  
   57    58    72    68    55  
   56    57    60    68    69  
   68  
   58    59    63    70    71    72    77    78    64    60    61    62    68  
   59    63    70    81    72    77    64    65    66    67    60    61    62    68    69  
   63    70    71    79    81    82    72    64    65    66    67    60    61    62    68  
   61    62    68    69    63    64    72  
   62    68    69  
   68    69  
   70    71    73    79    80    81    82    75    72    77    64    65    66    67  
   65    66    67    70    81  
   66    67  
   67  
    0  
   69  
    0  
   71    73    74    79    81    82    75    76    72    77    78  
   73    74    79    80    81    75    76    72    77  
   77    78    73    75    81  
   74    79    80    81    82    75    76  
   79    80    81    75  
   76    79  
    0  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   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    47   410.000  1.444
   41    42   745.000  1.250
   41    49   270.000  1.512
   49    53   317.000  1.522
   49    68   268.000  1.529
   49    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    72   469.000  1.400
   58    59   469.000  1.400
   58    60   317.000  1.510
   59    63   469.000  1.400
   59    64   317.000  1.510
   63    70   469.000  1.400
   63    81   469.000  1.400
   70    71   469.000  1.400
   70    72   469.000  1.400
   71    73   469.000  1.400
   71    75   450.000  1.364
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   300.000  1.725
   75    76   553.000  0.945
   72    77   450.000  1.364
   77    78   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    45   434.000  1.010
   43    46   434.000  1.010
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    50   490.000  1.335
   50    51   434.000  1.010
   50    52   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    47    70.00000  119.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    49    65.00000  122.18000
   38    47    48    80.00000  125.30000
   38    47    50    80.00000  111.56200
   41    49    53    70.00000  109.06800
   41    49    68    70.00000  112.02700
   41    49    55    90.00000  110.39200
   49    41    42    85.00000  112.85300
   49    53    54    80.00000  120.40000
   49    53    57    65.00000  115.47100
   49    68    60    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    39    58.35000  112.70000
   49    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    72    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    59    63.00000  120.00000
   57    58    60    70.00000  120.00000
   57    72    70    63.00000  120.00000
   57    72    77    70.00000  120.00000
   58    59    63    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    68    70.00000  112.17500
   59    63    70    63.00000  120.00000
   59    63    81    63.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   63    70    71    63.00000  120.00000
   63    70    72    63.00000  120.00000
   63    81    79    63.00000  120.00000
   63    81    82    75.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    75    70.00000  120.00000
   70    72    77    70.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    79    63.00000  120.00000
   71    75    76    35.00000  113.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    75.00000  120.00000
   81    63    70    63.00000  120.00000
   81    79    80    35.00000  120.00000
   75    71    73    70.00000  120.00000
   72    57    58    63.00000  120.00000
   72    70    71    63.00000  120.00000
   72    77    78    35.00000  113.00000
   64    59    63    70.00000  120.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   60    58    59    70.00000  120.00000
   60    68    69    37.50000  110.70000
   60    68    39    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    49    53    63.00000  111.10000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    68    69    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    46    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    35.00000  109.50000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   55    49    53    90.00000  109.61100
   55    49    68    50.00000  109.50000
   47    38    41    60.00000  120.04000
   47    50    51    35.00000  119.80000
   47    50    52    35.00000  119.80000
   50    47    48    80.00000  122.90000
   52    50    51    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    47   0.09700  1.0 1.0
   29    33    38    47   0.15600 -1.0 2.0
   29    33    38    47  -0.50800  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   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    49   7.00000 -1.0 2.0
   33    38    47    48  -0.64400  1.0 1.0
   33    38    47    48   0.26850 -1.0 2.0
   33    38    47    50   1.59650  1.0 1.0
   33    38    47    50   0.42750 -1.0 2.0
   33    38    47    50  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    45   0.17350  1.0 3.0
   33    39    43    46   0.17350  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    47   0.09700  1.0 1.0
   34    33    38    47   0.15600 -1.0 2.0
   34    33    38    47  -0.50800  1.0 3.0
   34    33    39    68   0.62750  1.0 1.0
   34    33    39    68  -0.30950 -1.0 2.0
   34    33    39    68   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    68   0.34400  1.0 1.0
   38    33    39    68   0.09450 -1.0 2.0
   38    33    39    68   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    49    53  -0.51250  1.0 1.0
   38    41    49    53  -0.88800 -1.0 2.0
   38    41    49    53   0.08850  1.0 3.0
   38    41   -49    68   0.09850  1.0 1.0
   38    41   -49    68   0.15250 -1.0 2.0
   38    41   -49    68  -0.50650  1.0 3.0
   38    41    49    55   0.67800  1.0 1.0
   38    41    49    55   0.47050 -1.0 2.0
   38    41    49    55  -0.62500  1.0 3.0
   38    47    50    51   2.56700 -1.0 2.0
   38    47    50    52   2.56700 -1.0 2.0
   41    38    47    48   1.00000 -1.0 2.0
   41    38    47    50   0.49500  1.0 1.0
   41    38    47    50   1.31600 -1.0 2.0
   41    38    47    50  -0.02300  1.0 3.0
   41    49    53    54   0.30150 -1.0 2.0
   41    49    53    57   0.65300  1.0 1.0
   41    49    53    57  -0.03850 -1.0 2.0
   41    49    53    57   0.33900  1.0 3.0
   41    49    68    60   0.34400  1.0 1.0
   41    49    68    60   0.09450 -1.0 2.0
   41    49    68    60   0.11100  1.0 3.0
   41    49    68    69   0.15000  1.0 3.0
   41    49    68    39   0.34400  1.0 1.0
   41    49    68    39   0.09450 -1.0 2.0
   41    49    68    39   0.11100  1.0 3.0
   41    49    55    56  -0.07800  1.0 1.0
   41    49    55    56  -0.21500 -1.0 2.0
   41    49    55    56  -0.03150  1.0 3.0
   42    41    49    53   0.09700  1.0 1.0
   42    41    49    53   0.15600 -1.0 2.0
   42    41    49    53  -0.50800  1.0 3.0
   42    41    49    68   0.09700  1.0 1.0
   42    41    49    68   0.15600 -1.0 2.0
   42    41    49    68  -0.50800  1.0 3.0
   42    41    49    55   0.09700  1.0 1.0
   42    41    49    55   0.15600 -1.0 2.0
   42    41    49    55  -0.50800  1.0 3.0
   49    53    57    58   2.26350  1.0 1.0
   49    53    57    58   0.76750 -1.0 2.0
   49    53    57    58   0.22500  1.0 3.0
   49    53    57    72   2.26350  1.0 1.0
   49    53    57    72   0.76750 -1.0 2.0
   49    53    57    72   0.22500  1.0 3.0
   49    68   -39    33   0.56750  1.0 1.0
   49    68   -39    33  -0.07550 -1.0 2.0
   49    68   -39    33   0.20000  1.0 3.0
   49    68    39    40   0.15000  1.0 3.0
   49    68    39    43   1.36600  1.0 1.0
   49    68    39    43  -0.11450 -1.0 2.0
   49    68    39    43   0.24250  1.0 3.0
   53    49    68    60  -0.95700  1.0 1.0
   53    49    68    60  -0.18200 -1.0 2.0
   53    49    68    60   0.29450  1.0 3.0
   53    49    68    69  -0.11250  1.0 3.0
   53    49    68    39  -0.95700  1.0 1.0
   53    49    68    39  -0.18200 -1.0 2.0
   53    49    68    39   0.29450  1.0 3.0
   53    49    55    56   0.91850  1.0 1.0
   53    49    55    56   0.57950  1.0 3.0
   53    57    58    59   3.62500 -1.0 2.0
   53    57   -58    60   3.62500 -1.0 2.0
   53    57    72    70   3.62500 -1.0 2.0
   53    57    72    77   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    72   1.05000 -1.0 2.0
   57    58    59    63   3.62500 -1.0 2.0
   57    58    59    64   3.62500 -1.0 2.0
   57    58    60    61   0.00000  1.0 1.0
   57    58    60    62   0.00000  1.0 1.0
   57    58    60    68   0.04150 -1.0 2.0
   57    72    77    78   0.84100 -1.0 2.0
   58    57    72    70   3.62500 -1.0 2.0
   58    57    72    77   3.62500 -1.0 2.0
   58    59   -63    70   3.62500 -1.0 2.0
   58    59    63    81   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    67   0.00000  1.0 1.0
   58    60   -68    49  -0.03700  1.0 1.0
   58    60   -68    49   0.37200 -1.0 2.0
   58    60   -68    49  -0.47300  1.0 3.0
   58    60    68    69   0.43200  1.0 3.0
   58    60    68    39  -0.03700  1.0 1.0
   58    60    68    39   0.37200 -1.0 2.0
   58    60    68    39  -0.47300  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    68   0.04150 -1.0 2.0
   59    63    70    71   3.62500 -1.0 2.0
   59    63    70    72   3.62500 -1.0 2.0
   59    63    81    79   3.62500 -1.0 2.0
   59    63    81    82   3.62500 -1.0 2.0
   63    59    64    65   0.00000  1.0 1.0
   63    59    64    66   0.00000  1.0 1.0
   63    59    64    67   0.00000  1.0 1.0
   63    70    71    73   3.62500 -1.0 2.0
   63    70    71    75   3.62500 -1.0 2.0
   63    70   -72    57   3.62500 -1.0 2.0
   63    70    72    77   3.62500 -1.0 2.0
   70    63    81    79   3.62500 -1.0 2.0
   70    63    81    82   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71   -73    79   3.62500 -1.0 2.0
   70    71    75    76   0.84100 -1.0 2.0
   70    72    77    78   0.84100 -1.0 2.0
   71    70    72    57   3.62500 -1.0 2.0
   71    70    72    77   3.62500 -1.0 2.0
   71    73    79    80   3.62500 -1.0 2.0
   71    73    79    81   3.62500 -1.0 2.0
   73    71    75    76   0.84100 -1.0 2.0
   73    79   -81    63   3.62500 -1.0 2.0
   73    79    81    82   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   80    79    81    63   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    63   -70    71   3.62500 -1.0 2.0
   81    63    70    72   3.62500 -1.0 2.0
   75    71    73    74   3.62500 -1.0 2.0
   75    71    73    79   3.62500 -1.0 2.0
   72    57   -58    59   3.62500 -1.0 2.0
   72    57    58    60   3.62500 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   64    59    63    70   3.62500 -1.0 2.0
   64    59    63    81   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   60    68    39    33   0.56750  1.0 1.0
   60    68    39    33  -0.07550 -1.0 2.0
   60    68    39    33   0.20000  1.0 3.0
   60    68    39    40   0.15000  1.0 3.0
   60    68    39    43   1.36600  1.0 1.0
   60    68    39    43  -0.11450 -1.0 2.0
   60    68    39    43   0.24250  1.0 3.0
   61    60    68    49   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    39   0.15000  1.0 3.0
   62    60    68    49   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    39   0.15000  1.0 3.0
   68    49    53    54   0.30150 -1.0 2.0
   68    49   -53    57   0.05850 -1.0 2.0
   68    49   -53    57   0.17250  1.0 3.0
   68    49    55    56  -0.11600  1.0 1.0
   68    49    55    56  -0.09450 -1.0 2.0
   68    49    55    56   0.21250  1.0 3.0
   68    39    43    44   0.17350  1.0 3.0
   68    39    43    45   0.17350  1.0 3.0
   68    39    43    46   0.17350  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    40   0.15000  1.0 3.0
   69    68    39    43   0.19200  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    47   0.09700  1.0 1.0
   39    33    38    47   0.15600 -1.0 2.0
   39    33    38    47  -0.50800  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    45   0.13050  1.0 3.0
   40    39    43    46   0.13050  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    57   0.65300  1.0 1.0
   55    49    53    57  -0.03850 -1.0 2.0
   55    49    53    57   0.33900  1.0 3.0
   55    49    68    60   0.86500  1.0 1.0
   55    49    68    60  -0.17500 -1.0 2.0
   55    49    68    60   0.20800  1.0 3.0
   55    49    68    69   0.23400  1.0 3.0
   55    49    68    39   0.86500  1.0 1.0
   55    49    68    39  -0.17500 -1.0 2.0
   55    49    68    39   0.20800  1.0 3.0
   47    38    41    42   7.00000 -1.0 2.0
   47    38    41    49   7.00000 -1.0 2.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    52   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    47    38    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    72    57    53   4.00000 -1.0 2.0
   59    60    58    57   4.00000 -1.0 2.0
   63    64    59    58   4.00000 -1.0 2.0
   70    81    63    59   4.00000 -1.0 2.0
   71    72    70    63   4.00000 -1.0 2.0
   73    75    71    70   4.00000 -1.0 2.0
   79    74    73    71   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   79    82    81    63   4.00000 -1.0 2.0
   70    77    72    57   4.00000 -1.0 2.0
   38    50    47    48  10.50000 -1.0 2.0
   52    47    50    51   1.00000 -1.0 2.0
END
