* LIGAND DATABASE FILE (OPLS2005)
*
001      99   104    200    329     595
    1     0 S   NP   _N1_     1    28.71051    95.82311   -20.08060
    2     1 S   H    _HN1     2     1.02766    82.29474   -65.11531
    3     1 S   H    _H1_     3     1.02963    89.33846    43.54190
    4     1 S   H    _H2_     4     1.02825    38.35710   162.56967
    5     1 S   CT   _CA1     5     1.50192   148.69248   173.89902
    6     5 S   HC   _HA1     6     1.09581   105.13207    51.58137
    7     5 S   CO3  _C1_     7     1.53830   112.47660   -68.28640
    8     7 S   O2Z  _O11     8     1.26360   115.00997   -38.12129
    9     7 S   O2Z  _O12     9     1.26266   114.93208   140.71942
   10     5 S   CT   _CB1    10     1.53086   107.33496   169.35035
   11    10 S   HC   HB11    11     1.09815   109.17640   -50.51120
   12    10 S   HC   HB12    12     1.09811   110.39789    65.94899
   13    10 S   CT   _CG1    13     1.52984   112.81382  -171.72201
   14    13 S   HC   HG11    14     1.09566   110.30903   -64.72849
   15    13 S   HC   HG12    15     1.09649   110.10677    54.34205
   16    13 S   C    _CD1    16     1.51870   112.36060   174.27988
   17    16 S   O    _OE1    17     1.22729   123.24940   -11.42886
   18    16 S   N    _N2_    18     1.38602   111.65846   169.78984
   19    18 S   H    _HN2    19     1.01594   118.88082    -0.44543
   20    18 S   CT1  _CA2    20     1.46255   123.56948   179.60435
   21    20 S   HC   _HA2    21     1.09736   109.34174   -16.48620
   22    20 S   C    _C2_    22     1.53449   108.10247  -132.04067
   23    22 S   O    _O2_    23     1.23005   122.30902  -145.59968
   24    20 S   CT   _CB2    32     1.53385   111.33307   105.88147
   25    24 S   HC   HB21    33     1.09501   109.68796    52.77704
   26    24 S   HC   HB22    34     1.09504   110.78997   171.13583
   27    22 S   N    _N3_    24     1.38531   113.29553    41.76457
   28    27 S   H    _HN3    25     1.01537   118.88623    -0.67115
   29    24 S   S    _SG2    35     1.82958   111.66938   -70.03512
   30    27 S   CT   _CA3    26     1.45450   123.50102   175.11461
   31    30 S   HC   HA31    27     1.09520   109.29027    23.23959
   32    30 S   HC   HA32    28     1.09497   107.10685   140.25547
   33    29 S   CT   _C26    36     1.86276   100.27036   147.16286
   34    33 S   HC   _H7_    37     1.09647   104.77679    29.65358
   35    30 S   CO3  _C3_    29     1.52924   113.08668  -100.27358
   36    35 S   O2Z  _O31    30     1.26405   115.40203   -44.44980
   37    35 S   O2Z  _O32    31     1.26353   114.98476   136.47976
   38    33 S   CT   _C25    38     1.53640   107.72318   -81.00848
   39    38 S   HC   _H23    39     1.09148   112.68229   167.03126
   40    38 S   HC   _H24    40     1.09846   110.16742    52.46372
   41    33 S   CT   _C9_    83     1.62032   115.55589   147.02011
   42    38 S   CO4  _C24    41     1.49533   113.01630   -67.09066
   43    42 S   O    _O39    42     1.22762   121.97777   114.88992
   44    41 S   CT   _C29    84     1.54245   111.29456    23.97787
   45    44 S   HC   _H31    85     1.09425   112.11242   -77.29333
   46    44 S   HC   _H32    86     1.08778   112.80188   161.56751
   47    44 S   HC   _H33    87     1.09439   112.06831    43.58217
   48    42 S   OS   _O38    43     1.34497   116.35651   -62.07300
   49    48 S   CT   _C23    44     1.45601   126.83999   -27.17253
   50    49 S   CT   _C10    45     1.58225   115.34515    54.84924
   51    50 S   HC   _H4_    46     1.10021   106.48659   -94.35585
   52    49 S   CT   _C27    92     1.54393   107.68983   -69.40999
   53    52 S   HC   _H25    93     1.09655   110.78240   -50.63120
   54    52 S   HC   _H26    94     1.09449   111.83670  -171.49534
   55    52 S   HC   _H27    95     1.09373   111.87619    67.34519
   56    49 S   CT   _C28    96     1.54480   102.43081   178.84039
   57    56 S   HC   _H28    97     1.09766   110.50928    49.79700
   58    56 S   HC   _H29    98     1.09315   111.67740   -67.40446
   59    56 S   HC   _H30    99     1.09431   112.75694   169.66528
   60    50 S   CT   _C11    47     1.54628   110.58771   154.96950
   61    60 S   HC   _H15    48     1.09683   109.72744    56.63949
   62    60 S   HC   _H16    49     1.09198   112.63728   -61.70968
   63    60 S   CO4  _C12    50     1.51276   112.52984   175.81404
   64    63 S   O    _O33    51     1.23001   120.61958  -120.81181
   65    63 S   CT   _C13    52     1.52749   116.12237    59.11173
   66    65 S   CT   _C8_    53     1.57290   103.34565   -58.58081
   67    66 S   HC   _H3_    54     1.09392   105.61864   -55.35841
   68    65 S   CT   _C22    88     1.54892   108.43181    63.21652
   69    68 S   HC   _H20    89     1.09463   111.75842  -173.64840
   70    68 S   HC   _H21    90     1.09737   110.87998    66.45358
   71    68 S   HC   _H22    91     1.08557   114.68606   -50.63575
   72    66 S   CT   _C7_    55     1.53260   108.61732  -166.95904
   73    72 S   HC   _H13    56     1.09586   110.09812   -59.09443
   74    72 S   HC   _H14    57     1.08978   112.50269  -176.40768
   75    72 S   CT   _C6_    58     1.53901   112.65729    63.00322
   76    75 S   HC   _H11    59     1.09788   108.60633   102.94306
   77    75 S   HC   _H12    60     1.09812   106.00512  -144.22642
   78    75 S   CT   _C5_    61     1.55527   116.98804   -21.22819
   79    78 S   CT   _C17    62     1.57838   109.07179  -150.41824
   80    79 S   HC   _H6_    63     1.09949   109.98913    57.40163
   81    78 S   CT   _C4_    79     1.55262   112.69344    89.52174
   82    81 S   HC   _H8_    80     1.09595   111.39296   165.38963
   83    81 S   HC   _H9_    81     1.09495   111.42201    45.28568
   84    81 S   HC   _H10    82     1.08996   114.21091   -76.30018
   85    79 S   C5BC _C18    64     1.50642   114.59851   -61.83902
   86    79 S   OS   _O36    72     1.45542   111.04780   173.81591
   87    85 S   C5BC _C19    65     1.42575   127.96261   -89.26285
   88    87 S   HA   _H17    66     1.08096   127.38903     0.79500
   89    86 S   CO4  _C16    73     1.36473   121.68131   -47.51331
   90    89 S   O    _O35    74     1.22452   122.28700  -170.50564
   91    87 S   C5A  _C20    67     1.37438   106.67903  -179.31016
   92    91 S   HA   _H18    68     1.08025   133.82768  -179.77619
   93    89 S   C3T  _C15    75     1.47782   117.29246    11.38958
   94    93 S   HC   _H5_    76     1.08338   115.21453   168.12099
   95    91 S   OA   _O37    69     1.35642   110.46725     0.51738
   96    65 S   C3T  _C14    77     1.57066   111.99582  -177.23034
   97    85 S   C5A  _C21    70     1.38204   127.07125    92.55524
   98    97 S   HA   _H19    71     1.08072   133.44958    -0.77126
   99    93 S   O3T  _O34    78     1.42597   114.38152   -52.63977
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  10   5   4  24   6   2  11   4   3   2  12
  15  18   7   8   3   2   1   4   2   1   1   8   4   3  13   4
  18  15   6   8   3   2   1   9   5   4  14   5   4  15  18   7
   8   3   2   1  10   8   6   4   5   4   4   2   3   2   2   1
   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    50    66    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    49    50    51    60    65    66    67    72    41    44    45    46    47  
   38    39    40    42    50    66    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    66    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    68    52    56    42    48    49    50    51    60    61    62    63    65    66    67    72    73    74    75    96  
   43    48    49    50    52    56  
   48    49  
   45    46    47    49    50    51    60    65    66    67    72  
   46    47    50    66  
   47    50    66  
   50    66  
   49    50    51    60    52    53    54    55    56    57    58    59  
   50    51    60    61    62    63    66    52    53    54    55    56    57    58    59  
   51    60    61    62    63    64    65    66    67    72    52    53    54    55    56    57    58    59  
   60    61    62    63    66    52    56  
   53    54    55    56    57    58    59    60  
   54    55    56  
   55    56  
   56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    96    68  
   62    63    64    65  
   63    64    65  
   64    65    66    67    72    78    93    96    99    68    69    70    71  
   65    66    96    68  
   66    67    72    73    74    75    78    79    89    93    94    96    99    81    68    69    70    71  
   67    72    73    74    75    76    77    78    93    96    99    68    69    70    71  
   72    73    74    75    96    68  
   69    70    71    72    78    93    96    99  
   70    71    96  
   71    96  
   96  
   73    74    75    76    77    78    79    96    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    85    86    93    96    99    81    82    83    84  
   77    78    79    96    81  
   78    79    96    81  
   79    80    85    87    97    86    89    93    94    96    99    81    82    83    84  
   80    85    87    88    91    95    97    98    86    89    90    93    96    99    81    82    83    84  
   85    87    97    86    89    96    81  
   82    83    84    85    86    93    96    99  
   83    84    96  
   84    96  
   96  
   87    88    91    92    95    97    98    86    89    96  
   89    90    93    94    96    99    87    97  
   88    91    92    95    97    98  
   91    92    95    97  
   90    93    94    96    99  
   93    94    96    99  
   92    95    97    98  
   95    97  
   94    96    99  
   96    99  
   97    98  
   99  
   98  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   96   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   99   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    48   214.000  1.327
   48    49   320.000  1.410
   49    50   268.000  1.529
   49    52   268.000  1.529
   49    56   268.000  1.529
   50    51   340.000  1.090
   50    60   268.000  1.529
   50    41   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   268.000  1.529
   65    96   275.000  1.510
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    41   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    96   275.000  1.510
   78    81   268.000  1.529
   79    80   340.000  1.090
   79    85   285.000  1.502
   79    86   320.000  1.410
   85    87   469.000  1.424
   85    97   546.000  1.367
   87    88   367.000  1.080
   87    91   546.000  1.367
   91    92   367.000  1.080
   91    95   340.000  1.360
   95    97   340.000  1.360
   97    98   367.000  1.080
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    93   290.000  1.496
   93    94   340.000  1.088
   93    96   260.000  1.509
   93    99   335.000  1.432
   96    99   335.000  1.432
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    50    58.35000  112.70000
   33    41    66    58.35000  112.70000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    48    81.00000  111.40000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    48    49    83.00000  116.90000
   48    42    43    83.00000  123.40000
   48    49    50    50.00000  109.50000
   48    49    52    50.00000  109.50000
   48    49    56    50.00000  109.50000
   49    50    51    37.50000  110.70000
   49    50    60    58.35000  112.70000
   49    50    41    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    63    63.00000  111.10000
   50    41    66    58.35000  112.70000
   50    41    44    58.35000  112.70000
   60    50    51    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    65    70.00000  116.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    63.00000  111.10000
   63    65    96    63.00000  111.10000
   63    65    68    63.00000  111.10000
   65    63    64    80.00000  120.40000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    41    58.35000  112.70000
   65    96    78    58.35000  112.70000
   65    96    93    60.00000  120.94000
   65    96    99    80.00000  116.47100
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   66    41    44    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    96    70.00000  112.37300
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    85    70.00000  112.17500
   78    79    86    50.00000  109.50000
   78    96    93    60.00000  120.94000
   78    96    99    80.00000  116.47100
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   79    85    87    60.00000  130.00000
   79    85    97    60.00000  130.00000
   79    86    89    83.00000  116.90000
   85    79    80    35.00000  109.50000
   85    87    88    35.00000  127.50000
   85    87    91    70.00000  107.30000
   85    97    95    70.00000  110.60000
   85    97    98    35.00000  132.10000
   87    91    92    35.00000  132.10000
   87    91    95    70.00000  110.60000
   91    87    88    35.00000  125.70000
   91    95    97    70.00000  106.50000
   95    91    92    35.00000  113.40000
   95    97    98    35.00000  113.40000
   97    85    87    70.00000  107.30000
   86    79    80    35.00000  109.50000
   86    79    85    85.00000  111.85700
   86    89    90    83.00000  123.40000
   86    89    93    81.00000  111.40000
   89    93    94    40.00000  116.18000
   89    93    96    65.00000  117.18000
   89    93    99    80.00000  114.91000
   93    89    90    75.00000  121.36600
   93    96    99    15.00000   60.43100
   93    99    96    15.00000   59.14900
   96    65    66    70.00000  112.37300
   96    78    79    70.00000  112.37300
   96    93    94    37.50000  117.20000
   99    93    94    50.00000  114.27700
   99    93    96    15.00000   60.43100
   81    78    79    58.35000  112.70000
   81    78    96    70.00000  112.37300
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    50    51    37.50000  110.70000
   41    50    60    58.35000  112.70000
   41    66    67    37.50000  110.70000
   41    66    72    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   68    65    66    58.35000  112.70000
   68    65    96    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    49    50    58.35000  112.70000
   56    49    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
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   41    66    72    74   0.15000  1.0 3.0
   41    66    72    75   0.56750  1.0 1.0
   41    66    72    75  -0.07550 -1.0 2.0
   41    66    72    75   0.20000  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65    66    41   0.56750  1.0 1.0
   68    65    66    41  -0.07550 -1.0 2.0
   68    65    66    41   0.20000  1.0 3.0
   68    65    96    78   0.56750  1.0 1.0
   68    65    96    78  -0.07550 -1.0 2.0
   68    65    96    78   0.20000  1.0 3.0
   68    65    96    93   0.07850  1.0 1.0
   68    65    96    93  -0.03950 -1.0 2.0
   68    65    96    93   0.67350  1.0 3.0
   68    65    96    99   0.02550  1.0 1.0
   68    65    96    99  -0.02600 -1.0 2.0
   68    65    96    99   1.20400  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    60   0.56750  1.0 1.0
   52    49    50    60  -0.07550 -1.0 2.0
   52    49    50    60   0.20000  1.0 3.0
   52    49    50    41   0.56750  1.0 1.0
   52    49    50    41  -0.07550 -1.0 2.0
   52    49    50    41   0.20000  1.0 3.0
   52    49    56    57   0.15000  1.0 3.0
   52    49    56    58   0.15000  1.0 3.0
   52    49    56    59   0.15000  1.0 3.0
   56    49    50    51   0.15000  1.0 3.0
   56    49    50    60   0.56750  1.0 1.0
   56    49    50    60  -0.07550 -1.0 2.0
   56    49    50    60   0.20000  1.0 3.0
   56    49    50    41   0.56750  1.0 1.0
   56    49    50    41  -0.07550 -1.0 2.0
   56    49    50    41   0.20000  1.0 3.0
   56    49    52    53   0.15000  1.0 3.0
   56    49    52    54   0.15000  1.0 3.0
   56    49    52    55   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   60    65    63    64  10.50000 -1.0 2.0
   87    97    85    79   4.00000 -1.0 2.0
   91    88    87    85   1.10000 -1.0 2.0
   95    92    91    87   1.10000 -1.0 2.0
   95    98    97    85   1.10000 -1.0 2.0
   86    93    89    90  10.50000 -1.0 2.0
END
