* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    156    251     455
    1     0 S   NP   _N1_     1    28.96568    94.97580   -25.20604
    2     1 S   H    _HN1     2     1.02827    30.80024  -167.69045
    3     1 S   H    _H1_     3     1.02794   119.42788   -92.62655
    4     1 S   H    _H2_     4     1.02947    76.29887    10.96677
    5     1 S   CT   _CA1     5     1.50129   122.47471   116.66326
    6     5 S   HC   _HA1     6     1.09575   105.15790    91.26402
    7     5 S   CO3  _C1_     7     1.53762   112.46701   -28.93131
    8     7 S   O2Z  _O11     8     1.26376   115.00002   -42.41679
    9     7 S   O2Z  _O12     9     1.26235   114.93773   136.58137
   10     5 S   CT   _CB1    10     1.53059   107.40710  -150.77773
   11    10 S   HC   HB11    11     1.09842   109.30808   -49.45357
   12    10 S   HC   HB12    12     1.09810   110.48174    67.13240
   13    10 S   CT   _CG1    13     1.53026   112.65377  -170.39561
   14    13 S   HC   HG11    14     1.09569   110.72968   -67.63290
   15    13 S   HC   HG12    15     1.09671   109.69791    51.61941
   16    13 S   C    _CD1    16     1.51817   111.98315   172.08498
   17    16 S   O    _OE1    17     1.22759   123.17330    12.40721
   18    16 S   N    _N2_    18     1.38657   111.84738  -167.58338
   19    18 S   H    _HN2    19     1.01575   118.97839     0.99583
   20    18 S   CT1  _CA2    20     1.46218   123.34955   176.30223
   21    20 S   HC   _HA2    21     1.09739   109.26603     7.30681
   22    20 S   C    _C2_    22     1.53679   108.82347  -108.18059
   23    22 S   O    _O2_    23     1.23080   122.24378  -148.71421
   24    20 S   CT   _CB2    32     1.53294   111.71098   129.28803
   25    24 S   HC   HB21    33     1.09593   110.21537    56.87689
   26    24 S   HC   HB22    34     1.09501   110.03683   175.92552
   27    22 S   N    _N3_    24     1.38312   113.85973    38.75897
   28    27 S   H    _HN3    25     1.01543   119.60672    -3.16360
   29    24 S   S    _SG2    35     1.82553   111.67598   -64.01495
   30    27 S   CT   _CA3    26     1.45282   123.30145   177.23650
   31    30 S   HC   HA31    27     1.09546   107.50052   -65.14444
   32    30 S   HC   HA32    28     1.09554   108.01774    51.32444
   33    29 S   CT   _C24    36     1.83805    98.80945   178.93174
   34    33 S   HC   _H6_    37     1.09559   108.41626   -52.63080
   35    30 S   CO3  _C3_    29     1.52979   114.02036   173.32515
   36    35 S   O2Z  _O31    30     1.26387   116.06877    -0.71764
   37    35 S   O2Z  _O32    31     1.26423   114.42332   179.34449
   38    33 S   CM   _C21    38     1.54207   108.91597  -173.58794
   39    38 S   CT   _C20    39     1.52773   109.81523   -94.15735
   40    39 S   HC   _H5_    40     1.10229   104.96701    54.11353
   41    38 S   CMA  _C22    76     1.36714   121.43789    88.59661
   42    41 S   OM   _O33    77     1.27000   124.67108    -0.56855
   43    39 S   CT   _C19    41     1.52709   121.57509   173.13247
   44    43 S   HC   _H19    42     1.09636   111.34060    60.93363
   45    43 S   HC   _H20    43     1.09643   109.43377   -58.81738
   46    39 S   CT   _C6_    55     1.54307   109.06689   -62.10584
   47    46 S   HC   _H4_    56     1.10007   109.90007   -85.87158
   48    41 S   OS   _O34    78     1.41126   112.64153   177.83391
   49    43 S   CA   _C18    44     1.50683   111.93605   179.98022
   50    46 S   CT   _C5_    57     1.54726   111.34723    32.02968
   51    50 S   HC   _H3_    58     1.09925   108.96365   -87.61256
   52    48 S   CT   _C23    79     1.42756   114.71020   143.90949
   53    52 S   HC   _H21    80     1.09407   107.71152  -171.30480
   54    52 S   HC   _H22    81     1.09478   111.03664    70.78058
   55    52 S   HC   _H23    82     1.09537   111.10515   -53.18821
   56    49 S   C56A _C17    45     1.40171   122.25611   161.01537
   57    33 S   OS   _O35    59     1.44091   109.74707    63.59279
   58    50 S   CT   _C4_    60     1.52269   115.21606   152.23061
   59    58 S   HC   _H7_    61     1.09503   111.65060   -66.51380
   60    58 S   HC   _H8_    62     1.09590   109.93320   176.12940
   61    58 S   HC   _H9_    63     1.09396   111.42788    56.08413
   62    56 S   C56B _C10    46     1.39012   123.21145   178.11914
   63    56 S   NA   _N5_    74     1.37862   130.06260    -1.66812
   64    63 S   H    _H18    75     1.01066   124.63013     0.07662
   65    62 S   CA   _C9_    47     1.39805   118.11498    -0.24629
   66    65 S   HA   _H13    48     1.08516   121.63491   179.66487
   67    62 S   C56B _C11    64     1.43035   107.85344   179.74436
   68    65 S   CA   _C8_    49     1.38680   117.77128    -0.43069
   69    68 S   HA   _H12    50     1.08557   120.74420   179.66428
   70    67 S   CA   _C12    65     1.41063   134.16801  -179.83807
   71    70 S   HA   _H14    66     1.08630   120.78986     0.08156
   72    49 S   NAP  _N4_    51     1.35937   121.27896   -22.43429
   73    70 S   CA   _C13    67     1.39954   119.33332  -179.92087
   74    73 S   HA   _H15    68     1.08691   119.55517  -179.97202
   75    72 S   CT   _C7_    52     1.49463   122.06202     4.16687
   76    75 S   HC   _H10    53     1.09616   106.62224  -140.51648
   77    75 S   HC   _H11    54     1.09693   105.74031   103.17778
   78    73 S   CA   _C14    69     1.39290   120.71343     0.02798
   79    78 S   HA   _H16    70     1.08718   119.57904   180.00000
   80    78 S   CA   _C15    71     1.39754   120.99148     0.00000
   81    80 S   HA   _H17    72     1.08499   120.91887   179.97202
   82    67 S   C56A _C16    73     1.39344   107.25150     0.27411
  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   7   5   4   3
  13   5   2   1   1  15  19   9   9   2  12   5   4  14   8   4
  13  10   6   3   2   1   1  12   5   4   2   1   1  13   9   3
   8   4   9   5   2   7   4   3   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    50    51    57    58    41    42    48  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    75    46    47    50    57    41    42    48    52  
   40    43    44    45    49    56    72    75    76    77    46    47    50    51    57    58    41    42    48  
   43    44    45    49    75    46    47    50    41  
   42    48    52    53    54    55    43    46    57  
   48    52  
   44    45    49    56    62    68    72    75    46    47    50    63  
   45    49    56    72    46  
   49    56    72    46  
   47    50    51    57    58    59    60    61    49    68    72    75    76    77  
   50    51    57    58    72    75    76    77  
   52    53    54    55  
   56    62    65    68    69    72    75    76    77    67    82    63    64  
   51    57    58    59    60    61    72    75    76    77  
   57    58    59    60    61    75  
   53    54    55  
   54    55  
   55  
    0  
   62    65    66    68    72    75    67    70    80    82    63    64  
   58    59    60    61    75  
   59    60    61    75  
   60    61  
   61  
    0  
   65    66    68    69    72    67    70    71    73    80    82    63    64  
   64    65    67    70    72    78    80    81    82  
   67    80    82  
   66    68    69    72    75    67    70    82  
   68    69    72    67  
   70    71    73    74    78    80    81    82    68  
   69    72    75    76    77  
   72    75  
   71    73    74    78    79    80    82  
   73    74    78    82  
   75    76    77  
   74    78    79    80    81    82  
   78    79    80  
   76    77  
   77  
    0  
   79    80    81    82  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   64   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   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   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
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   340.000  1.090
   33    38   317.000  1.510
   33    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    56   469.000  1.400
   49    72   485.000  1.342
   56    62   447.000  1.419
   56    63   428.000  1.380
   62    65   469.000  1.404
   62    67   365.000  1.456
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    72   485.000  1.342
   72    75   280.000  1.457
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    57   320.000  1.410
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   67    70   469.000  1.404
   67    82   447.000  1.419
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    63   428.000  1.380
   63    64   434.000  1.010
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    52   320.000  1.410
   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    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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    70.00000  112.17500
   39    46    75    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    56    70.00000  120.00000
   43    49    72    70.00000  116.21300
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    56    62    85.00000  122.70000
   49    56    63    70.00000  132.80000
   49    72    68    70.00000  123.81700
   49    72    75    70.00000  119.18700
   56    62    65    85.00000  116.20000
   56    62    67    80.00000  105.47000
   56    63    82    90.00000   99.14000
   56    63    64    35.00000  123.10000
   62    65    66    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    67    70    50.00000  134.41300
   62    67    82    80.00000  105.47000
   65    68    69    35.00000  120.00000
   65    68    72    70.00000  119.29800
   68    65    66    35.00000  120.00000
   68    72    75    70.00000  119.18700
   72    49    56    70.00000  122.14000
   72    68    69    45.00000  112.84900
   72    75    76    50.00000  106.41000
   72    75    77    50.00000  106.41000
   72    75    46    75.00000  109.47200
   75    46    47    37.50000  110.70000
   75    46    50    58.35000  112.70000
   77    75    76    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    75    76    37.50000  110.70000
   46    75    77    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    57    50.00000  109.50000
   46    50    58    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    50    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   67    62    65    50.00000  134.41300
   67    70    71    35.00000  120.00000
   67    70    73    63.00000  120.00000
   67    82    80    85.00000  122.70000
   67    82    63    70.00000  104.40000
   70    73    74    35.00000  120.00000
   70    73    78    63.00000  120.00000
   73    70    71    35.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    80    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    85.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    63    70.00000  132.80000
   82    67    70    85.00000  116.20000
   82    80    81    35.00000  120.00000
   82    63    64    35.00000  123.10000
   63    56    62    70.00000  104.40000
   41    38    39    70.00000  124.00000
   41    48    52    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   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    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   0.32350  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    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  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    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.21200  1.0 1.0
   38    39    43    49   0.16900 -1.0 2.0
   38    39    43    49  -1.15100  1.0 3.0
   38    39    46    75   0.34400  1.0 1.0
   38    39    46    75   0.09450 -1.0 2.0
   38    39    46    75   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    50   0.34400  1.0 1.0
   38    39   -46    50   0.09450 -1.0 2.0
   38    39   -46    50   0.11100  1.0 3.0
   38    41    48    52  -2.26850  1.0 1.0
   38    41    48    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    56   0.04150 -1.0 2.0
   39    43    49    72   0.29300  1.0 1.0
   39    43    49    72  -1.19700 -1.0 2.0
   39    43    49    72   0.60900  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    57   0.62750  1.0 1.0
   39    46    50    57  -0.30950 -1.0 2.0
   39    46    50    57   0.27300  1.0 3.0
   39    46    50    58   0.56750  1.0 1.0
   39    46    50    58  -0.07550 -1.0 2.0
   39    46    50    58   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.43200  1.0 3.0
   40    39    46    75   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   43    39    46    75   0.56750  1.0 1.0
   43    39    46    75  -0.07550 -1.0 2.0
   43    39    46    75   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    50   0.56750  1.0 1.0
   43    39    46    50  -0.07550 -1.0 2.0
   43    39    46    50   0.20000  1.0 3.0
   43    49    56    62   3.62500 -1.0 2.0
   43    49    56    63   3.62500 -1.0 2.0
   43    49    72    68   3.62500 -1.0 2.0
   43    49   -72    75   3.62500 -1.0 2.0
   44    43    49    56   0.00000  1.0 1.0
   44    43    49    72   0.00000  1.0 1.0
   45    43    49    56   0.00000  1.0 1.0
   45    43    49    72   0.00000  1.0 1.0
   49    56    62    65   3.00000 -1.0 2.0
   49    56    62    67   3.00000 -1.0 2.0
   49    56    63    82   3.62500 -1.0 2.0
   49    56    63    64   1.52500 -1.0 2.0
   49    72    75    76   0.00000  1.0 1.0
   49    72    75    77   0.00000  1.0 1.0
   49    72    75    46   0.00000  1.0 1.0
   56    49    72    68   3.62500 -1.0 2.0
   56    49    72    75   3.62500 -1.0 2.0
   56    62    65    66   3.50000 -1.0 2.0
   56    62   -65    68   3.50000 -1.0 2.0
   56    62    67    70   3.50000 -1.0 2.0
   56    62   -67    82   3.50000 -1.0 2.0
   62    56   -63    82   3.62500 -1.0 2.0
   62    56    63    64   1.52500 -1.0 2.0
   62    65    68    69   3.62500 -1.0 2.0
   62    65    68    72   3.62500 -1.0 2.0
   62    67    70    71   3.62500 -1.0 2.0
   62    67    70    73   3.62500 -1.0 2.0
   62    67    82    80   3.00000 -1.0 2.0
   62    67   -82    63   3.00000 -1.0 2.0
   65    62    67    70   3.62500 -1.0 2.0
   65    62    67    82   3.50000 -1.0 2.0
   65    68   -72    49   3.62500 -1.0 2.0
   65    68    72    75   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   68    72    75    76   0.00000  1.0 1.0
   68    72    75    77   0.00000  1.0 1.0
   68    72    75    46   0.00000  1.0 1.0
   69    68    72    49   3.62500 -1.0 2.0
   69    68    72    75   3.62500 -1.0 2.0
   72    49   -56    62   3.62500 -1.0 2.0
   72    49    56    63   3.62500 -1.0 2.0
   72    75   -46    39   0.56750  1.0 1.0
   72    75   -46    39  -0.07550 -1.0 2.0
   72    75   -46    39   0.20000  1.0 3.0
   72    75    46    47   0.15000  1.0 3.0
   72    75    46    50   0.56750  1.0 1.0
   72    75    46    50  -0.07550 -1.0 2.0
   72    75    46    50   0.20000  1.0 3.0
   75    46    50    51   0.15000  1.0 3.0
   75    46    50    57   0.62750  1.0 1.0
   75    46    50    57  -0.30950 -1.0 2.0
   75    46    50    57   0.27300  1.0 3.0
   75    46    50    58   0.56750  1.0 1.0
   75    46    50    58  -0.07550 -1.0 2.0
   75    46    50    58   0.20000  1.0 3.0
   76    75    46    39   0.15000  1.0 3.0
   76    75    46    47   0.15000  1.0 3.0
   76    75    46    50   0.15000  1.0 3.0
   77    75    46    39   0.15000  1.0 3.0
   77    75    46    47   0.15000  1.0 3.0
   77    75    46    50   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49  -0.03700  1.0 1.0
   46    39   -43    49   0.37200 -1.0 2.0
   46    39   -43    49  -0.47300  1.0 3.0
   46    50   -57    33   0.06250  1.0 1.0
   46    50   -57    33  -0.01100 -1.0 2.0
   46    50   -57    33   0.28050  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    61   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    57   0.23400  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59   0.23400  1.0 3.0
   57    50    58    60   0.23400  1.0 3.0
   57    50    58    61   0.23400  1.0 3.0
   58    50    57    33   0.06250  1.0 1.0
   58    50    57    33  -0.01100 -1.0 2.0
   58    50    57    33   0.28050  1.0 3.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    68   3.62500 -1.0 2.0
   67    70    73    74   3.62500 -1.0 2.0
   67    70    73    78   3.62500 -1.0 2.0
   67    82   -63    56   3.62500 -1.0 2.0
   67    82    63    64   1.52500 -1.0 2.0
   70    67    82    80   3.00000 -1.0 2.0
   70    67    82    63   3.00000 -1.0 2.0
   70    73    78    79   3.62500 -1.0 2.0
   70    73   -78    80   3.62500 -1.0 2.0
   71    70    73    74   3.62500 -1.0 2.0
   71    70    73    78   3.62500 -1.0 2.0
   73    78    80    81   3.62500 -1.0 2.0
   73    78    80    82   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    80   3.62500 -1.0 2.0
   78    80   -82    67   3.62500 -1.0 2.0
   78    80    82    63   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    63    56   3.62500 -1.0 2.0
   80    82    63    64   1.52500 -1.0 2.0
   81    80    82    67   3.62500 -1.0 2.0
   81    80    82    63   3.62500 -1.0 2.0
   82    67    70    71   3.50000 -1.0 2.0
   82    67   -70    73   3.50000 -1.0 2.0
   63    56    62    65   3.00000 -1.0 2.0
   63    56   -62    67   3.00000 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    52    53   0.08050  1.0 3.0
   41    48    52    54   0.08050  1.0 3.0
   41    48    52    55   0.08050  1.0 3.0
   42    41    48    52   2.00000 -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    39    38    41   1.10000 -1.0 2.0
   56    72    49    43   4.00000 -1.0 2.0
   62    63    56    49   4.00000 -1.0 2.0
   65    67    62    56   4.00000 -1.0 2.0
   68    66    65    62   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   68    75    72    49   4.00000 -1.0 2.0
   70    82    67    62   4.00000 -1.0 2.0
   73    71    70    67   1.10000 -1.0 2.0
   78    74    73    70   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    63    82    67   4.00000 -1.0 2.0
   64    56    63    82   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
