* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    242     481
    1     0 S   NP   _N1_     1    29.37548    93.21768   -25.39069
    2     1 S   H    _HN1     2     1.02980    95.91947    11.69213
    3     1 S   H    _H1_     3     1.02841    11.79625   172.75091
    4     1 S   H    _H2_     4     1.02778   108.84457   -99.95791
    5     1 S   CT   _CA1     5     1.50165   119.58026   129.21477
    6     5 S   HC   _HA1     6     1.09553   105.35736    68.08179
    7     5 S   CO3  _C1_     7     1.53873   112.18988   -52.44693
    8     7 S   O2Z  _O11     8     1.26386   115.01664   -44.59576
    9     7 S   O2Z  _O12     9     1.26226   114.90917   134.52234
   10     5 S   CT   _CB1    10     1.52993   107.34324  -173.76420
   11    10 S   HC   HB11    11     1.09819   109.73407   -48.63982
   12    10 S   HC   HB12    12     1.09630   109.95892    67.88263
   13    10 S   CT   _CG1    13     1.52982   113.04337  -170.04181
   14    13 S   HC   HG11    14     1.09578   110.50843   -57.61863
   15    13 S   HC   HG12    15     1.09608   110.15004    61.78280
   16    13 S   C    _CD1    16     1.51806   111.85748  -177.67426
   17    16 S   O    _OE1    17     1.22745   123.19904    -5.67934
   18    16 S   N    _N2_    18     1.38593   111.86859   174.04385
   19    18 S   H    _HN2    19     1.01573   119.24923     2.81967
   20    18 S   CT1  _CA2    20     1.46127   122.98325  -175.59033
   21    20 S   HC   _HA2    21     1.09594   109.19983    -9.02994
   22    20 S   C    _C2_    22     1.53366   108.99525  -124.56743
   23    22 S   O    _O2_    23     1.23034   122.09622  -147.95430
   24    20 S   CT   _CB2    32     1.53483   111.54732   112.87786
   25    24 S   HC   HB21    33     1.09659   109.49972    64.87636
   26    24 S   HC   HB22    34     1.09568   111.02085  -177.74337
   27    22 S   N    _N3_    24     1.38469   113.51350    39.52695
   28    27 S   H    _HN3    25     1.01516   118.91453    -0.58148
   29    24 S   S    _SG2    35     1.82708   114.25202   -54.37770
   30    27 S   CT   _CA3    26     1.45444   123.41080   175.02205
   31    30 S   HC   HA31    27     1.09526   109.19607    25.40207
   32    30 S   HC   HA32    28     1.09494   107.14135   142.40464
   33    29 S   CT   _C22    36     1.82349    99.97011   -72.99614
   34    33 S   HC   _H23    37     1.09459   108.35479   -66.15887
   35    33 S   HC   _H24    38     1.09197   110.31597    50.91889
   36    30 S   CO3  _C3_    29     1.52923   113.10655   -98.03805
   37    36 S   O2Z  _O31    30     1.26401   115.39346   -44.72867
   38    36 S   O2Z  _O32    31     1.26352   114.98815   136.18611
   39    33 S   CM   _C20    39     1.50195   109.16847   172.14420
   40    39 S   CMA  _C21    40     1.34987   127.22431    98.20141
   41    40 S   OM   _O37    41     1.26298   127.96179     2.21293
   42    40 S   OS   _O36    42     1.41862   109.84052  -177.23572
   43    42 S   CT   _C11    43     1.44221   107.33220    10.79569
   44    43 S   HC   _H4_    44     1.08739   105.41983  -138.46926
   45    43 S   CM   _C10    45     1.51570   108.77533   102.46495
   46    45 S   HC   _H13    46     1.09067   113.40150   -55.19551
   47    39 S   CT   _C12    61     1.50549   120.68183   -81.74555
   48    47 S   HC   _H5_    62     1.09699   109.87254    48.94955
   49    45 S   CM   _C9_    47     1.35183   129.20085   127.58606
   50    49 S   CT   _C8_    48     1.52812   127.40190    -3.64218
   51    50 S   HC   _H3_    49     1.09876   108.97183  -155.85899
   52    49 S   CT   _C23    89     1.50973   119.11118   176.39017
   53    52 S   HC   _H25    90     1.09497   110.24072   118.50521
   54    52 S   HC   _H26    91     1.09508   112.60290    -1.63315
   55    52 S   HC   _H27    92     1.09502   110.18241  -121.62001
   56    50 S   CT   _C7_    50     1.54799   114.33862    85.57506
   57    56 S   HC   _H11    51     1.09539   109.89710  -174.89838
   58    56 S   HC   _H12    52     1.09751   109.29219    68.99175
   59    50 S   OS   _O38    82     1.44541   111.80181   -38.12332
   60    56 S   CM   _C6_    53     1.50298   113.13736   -50.93823
   61    60 S   HC   _H10    54     1.08913   113.76278    88.16015
   62    59 S   CO4  _C24    83     1.36242   117.73219   -78.14029
   63    62 S   O    _O39    84     1.22304   126.53968    -2.14284
   64    60 S   CM   _C5_    55     1.34713   127.55464   -83.70721
   65    62 S   CT   _C25    85     1.49847   109.30745   177.35936
   66    65 S   HC   _H28    86     1.09287   109.73119   -64.06789
   67    65 S   HC   _H29    87     1.09370   109.37850   176.71854
   68    65 S   HC   _H30    88     1.09301   109.88888    57.76966
   69    64 S   CT   _C14    56     1.51535   119.28215   168.24317
   70    69 S   HC   _H14    57     1.09665   109.31337    32.03840
   71    69 S   HC   _H15    58     1.09713   108.39105   146.40774
   72    64 S   CT   _C4_    78     1.50354   124.78344    -8.37937
   73    72 S   HC   _H7_    79     1.09353   110.84081   111.41372
   74    72 S   HC   _H8_    80     1.09252   113.13380    -9.41889
   75    72 S   HC   _H9_    81     1.09515   110.04376  -128.75631
   76    69 S   CT   _C13    59     1.55247   115.38614   -90.17833
   77    76 S   HC   _H6_    60     1.09721   106.38052   175.99591
   78    76 S   OS   _O33    63     1.44538   110.08067   -66.76381
   79    78 S   CO4  _C15    64     1.35784   118.40644   -82.27670
   80    79 S   O    _O34    65     1.22202   126.16892     1.16768
   81    79 S   CM   _C16    66     1.49550   109.03455  -179.45500
   82    81 S   CM   _C17    67     1.34643   115.91214  -161.17629
   83    82 S   HC   _H16    68     1.08966   119.11090     0.64650
   84    81 S   CT   _C19    74     1.50058   117.92864    19.88126
   85    84 S   HC   _H20    75     1.09496   110.40020   -71.34976
   86    84 S   HC   _H21    76     1.09204   113.24902   167.80411
   87    84 S   HC   _H22    77     1.09551   110.37257    48.62122
   88    82 S   CT   _C18    69     1.49556   127.55488   179.28372
   89    88 S   HC   _H17    70     1.09123   113.85889    -0.22728
   90    88 S   HC   _H18    71     1.09480   109.37944  -121.38259
   91    88 S   OH   _O35    72     1.42096   108.41873   120.59289
   92    91 S   HO   _H19    73     0.97226   107.03654   178.19387
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  12  15   7   5   2   1   1   9   5   4   7  10   3   5   4  10
   3   2   1   1  10   5   4   4   2   1   1   5   2   5   9   3
  10  10   5   4   2   1   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    76    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    69    76    77    47    48    78  
   41    42    43    44    45    76    47    48  
   42    43    47  
   43    44    45    46    49    76    47    48  
   44    45    46    49    50    69    76    77    47    48    78    52  
   45    46    49    76    47    48  
   46    49    50    51    56    76    47    48    59    52    53    54    55  
   49    50    47    52  
   48    78    79    49    64    69    70    71    76    77  
   78    69    76    77  
   50    51    56    57    58    60    59    62    52    53    54    55  
   51    56    57    58    60    61    64    59    62    63    65    52    53    54    55  
   56    57    58    60    59    62    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    60    61    64    69    72    59    62  
   58    60    61    64    59  
   60    61    64    59  
   62    63    65    66    67    68    60  
   61    64    69    70    71    76    72    73    74    75  
   64    69    72  
   63    65    66    67    68  
   65    66    67    68  
   69    70    71    76    77    78    72    73    74    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    76    77    78    79    72    73    74    75  
   71    76    77    78    72  
   76    77    78    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79    80    81  
   78    79  
   79    80    81    82    84  
   80    81    82    83    88    84    85    86    87  
   81    82    84  
   82    83    88    89    90    91    84    85    86    87  
   83    88    89    90    91    92    84    85    86    87  
   88    89    90    91    84  
   85    86    87    88  
   86    87  
   87  
    0  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   317.000  1.510
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    69   317.000  1.510
   64    72   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    47   268.000  1.529
   76    78   320.000  1.410
   47    48   340.000  1.090
   78    79   214.000  1.327
   79    80   570.000  1.229
   79    81   320.000  1.462
   81    82   549.000  1.340
   81    84   317.000  1.510
   82    83   340.000  1.080
   82    88   317.000  1.510
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   320.000  1.410
   91    92   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    76    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    76    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    59    85.00000  110.90400
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    60    70.00000  112.02700
   50    59    62    83.00000  116.90000
   56    50    51    37.50000  110.70000
   56    60    61    35.00000  117.00000
   56    60    64    70.00000  124.00000
   58    56    57    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    35.00000  109.50000
   60    64    69    70.00000  124.00000
   60    64    72    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    76    70.00000  112.02700
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    47    58.35000  112.70000
   69    76    78    50.00000  109.50000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    47    48    37.50000  110.70000
   76    78    79    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    76    77    37.50000  110.70000
   78    76    77    35.00000  109.50000
   78    76    47    50.00000  109.50000
   78    79    80    83.00000  123.40000
   78    79    81    90.00000  111.29400
   79    81    82    65.00000  118.96000
   79    81    84    65.00000  116.34900
   81    79    80    80.00000  123.72100
   81    82    83    35.00000  120.00000
   81    82    88    70.00000  124.00000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    90.00000  110.39200
   88    82    83    35.00000  117.00000
   88    91    92    55.00000  108.50000
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   84    81    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   72    64    69    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    65    81.00000  111.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   65    62    63    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    76   0.46850  1.0 1.0
   33    39    47    76   0.08550 -1.0 2.0
   33    39    47    76   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    76   0.09850  1.0 1.0
   40    39    47    76   0.15250 -1.0 2.0
   40    39    47    76  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    76   0.62750  1.0 1.0
   42    43    47    76  -0.30950 -1.0 2.0
   42    43    47    76   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    76   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    76   0.34400  1.0 1.0
   45    43    47    76   0.09450 -1.0 2.0
   45    43    47    76   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    59   0.39000  1.0 1.0
   45    49    50    59  -0.05800 -1.0 2.0
   45    49    50    59  -0.55150  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    60   0.31000  1.0 1.0
   49    50    56    60   0.14700 -1.0 2.0
   49    50    56    60   0.07550  1.0 3.0
   49    50    59    62  -0.82050  1.0 1.0
   49    50    59    62   0.00600 -1.0 2.0
   49    50    59    62   0.04400  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    60    61   0.00000  1.0 1.0
   50    56    60    64   0.09850  1.0 1.0
   50    56    60    64   0.15250 -1.0 2.0
   50    56    60    64  -0.50650  1.0 3.0
   50    59    62    63   3.00000 -1.0 2.0
   50    59    62    65   1.63150  1.0 1.0
   50    59    62    65   2.92000 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    60   0.15000  1.0 3.0
   51    50    59    62   0.08050  1.0 3.0
   56    50    59    62  -0.25900  1.0 1.0
   56    50    59    62  -0.47000 -1.0 2.0
   56    50    59    62   0.11750  1.0 3.0
   56    60    64    69   7.00000 -1.0 2.0
   56    60    64    72   7.00000 -1.0 2.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    64   0.00000  1.0 1.0
   58    56    60    61   0.33100  1.0 3.0
   58    56    60    64   0.00000  1.0 1.0
   60    64    69    70   0.00000  1.0 1.0
   60    64    69    71   0.00000  1.0 1.0
   60    64    69    76   0.09850  1.0 1.0
   60    64    69    76   0.15250 -1.0 2.0
   60    64    69    76  -0.50650  1.0 3.0
   60    64    72    73   0.00000  1.0 1.0
   60    64    72    74   0.00000  1.0 1.0
   60    64    72    75   0.00000  1.0 1.0
   61    60    64    69   7.00000 -1.0 2.0
   61    60    64    72   7.00000 -1.0 2.0
   64    69    76    77   0.15000  1.0 3.0
   64    69    76    47   0.34400  1.0 1.0
   64    69    76    47   0.09450 -1.0 2.0
   64    69    76    47   0.11100  1.0 3.0
   64    69    76    78   0.61850  1.0 1.0
   64    69    76    78  -0.22750 -1.0 2.0
   64    69    76    78   0.15300  1.0 3.0
   69    64    72    73   0.34800  1.0 3.0
   69    64    72    74   0.34800  1.0 3.0
   69    64    72    75   0.34800  1.0 3.0
   69    76    47    39   0.34400  1.0 1.0
   69    76    47    39   0.09450 -1.0 2.0
   69    76    47    39   0.11100  1.0 3.0
   69    76    47    43   0.56750  1.0 1.0
   69    76    47    43  -0.07550 -1.0 2.0
   69    76    47    43   0.20000  1.0 3.0
   69    76    47    48   0.15000  1.0 3.0
   69    76    78    79  -0.25900  1.0 1.0
   69    76    78    79  -0.47000 -1.0 2.0
   69    76    78    79   0.11750  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    47   0.15000  1.0 3.0
   70    69    76    78   0.23400  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    47   0.15000  1.0 3.0
   71    69    76    78   0.23400  1.0 3.0
   76    78    79    80   3.00000 -1.0 2.0
   76    78    79    81   2.00000 -1.0 2.0
   77    76    47    39   0.15000  1.0 3.0
   77    76    47    43   0.15000  1.0 3.0
   77    76    47    48   0.15000  1.0 3.0
   77    76    78    79   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    76    78    79  -0.25900  1.0 1.0
   47    76    78    79  -0.47000 -1.0 2.0
   47    76    78    79   0.11750  1.0 3.0
   78    76    47    39   0.61850  1.0 1.0
   78    76    47    39  -0.22750 -1.0 2.0
   78    76    47    39   0.15300  1.0 3.0
   78    76    47    43   0.62750  1.0 1.0
   78    76    47    43  -0.30950 -1.0 2.0
   78    76    47    43   0.27300  1.0 3.0
   78    76    47    48   0.23400  1.0 3.0
   78    79    81    82  -0.56150  1.0 1.0
   78    79    81    82   2.19150 -1.0 2.0
   78    79    81    84  -0.15000  1.0 1.0
   78    79    81    84   0.89550 -1.0 2.0
   78    79    81    84  -0.06900  1.0 3.0
   79    81    82    83   7.00000 -1.0 2.0
   79    81    82    88   7.00000 -1.0 2.0
   79    81    84    85   0.15000  1.0 3.0
   79    81    84    86   0.15000  1.0 3.0
   79    81    84    87   0.15000  1.0 3.0
   80    79    81    82   1.00000 -1.0 2.0
   80    79    81    84  -0.64400  1.0 1.0
   80    79    81    84   0.26850 -1.0 2.0
   81    82    88    89   0.00000  1.0 1.0
   81    82    88    90   0.00000  1.0 1.0
   81    82    88    91   0.67800  1.0 1.0
   81    82    88    91   0.47050 -1.0 2.0
   81    82    88    91  -0.62500  1.0 3.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   82    81    84    87   0.00000  1.0 1.0
   82    88    91    92  -0.07800  1.0 1.0
   82    88    91    92  -0.21500 -1.0 2.0
   82    88    91    92  -0.03150  1.0 3.0
   83    82    88    89   0.33100  1.0 3.0
   83    82    88    90   0.33100  1.0 3.0
   83    82    88    91   0.00000  1.0 1.0
   89    88    91    92   0.19450  1.0 3.0
   90    88    91    92   0.19450  1.0 3.0
   84    81    82    83   7.00000 -1.0 2.0
   84    81    82    88   7.00000 -1.0 2.0
   72    64    69    70   0.34800  1.0 3.0
   72    64    69    71   0.34800  1.0 3.0
   72    64    69    76   0.46850  1.0 1.0
   72    64    69    76   0.08550 -1.0 2.0
   72    64    69    76   0.09800  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    60   0.61850  1.0 1.0
   59    50    56    60  -0.22750 -1.0 2.0
   59    50    56    60   0.15300  1.0 3.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.00000  1.0 1.0
   59    62    65    68   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    59   0.09700  1.0 1.0
   52    49    50    59   0.15600 -1.0 2.0
   52    49    50    59  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   56    61    60    64   1.10000 -1.0 2.0
   69    72    64    60   1.10000 -1.0 2.0
   78    81    79    80  10.50000 -1.0 2.0
   79    84    81    82  15.00000 -1.0 2.0
   88    83    82    81  15.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
END
