* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    211    339     632
    1     0 S   NP   _N1_     1    28.85953    95.67332   -19.84405
    2     1 S   H    _HN1     2     1.02784    80.32599   -68.92360
    3     1 S   H    _H1_     3     1.02948    88.84355    39.88311
    4     1 S   H    _H2_     4     1.02835    40.45965   158.32109
    5     1 S   CT   _CA1     5     1.50063   150.60118   172.51890
    6     5 S   HC   _HA1     6     1.09575   105.26015    49.35853
    7     5 S   CO3  _C1_     7     1.53741   112.41152   -70.92902
    8     7 S   O2Z  _O11     8     1.26347   115.04622   -45.54293
    9     7 S   O2Z  _O12     9     1.26231   114.89679   133.75644
   10     5 S   CT   _CB1    10     1.53075   107.47538   167.28153
   11    10 S   HC   HB11    11     1.09818   109.34009   -51.15935
   12    10 S   HC   HB12    12     1.09825   110.46684    65.43555
   13    10 S   CT   _CG1    13     1.52968   112.57237  -172.28088
   14    13 S   HC   HG11    14     1.09583   110.38034   -63.19148
   15    13 S   HC   HG12    15     1.09648   110.06752    56.01075
   16    13 S   C    _CD1    16     1.51755   112.30690   176.29916
   17    16 S   O    _OE1    17     1.22721   123.29408    -5.47572
   18    16 S   N    _N2_    18     1.38580   111.56549   174.76535
   19    18 S   H    _HN2    19     1.01610   118.95827     1.02412
   20    18 S   CT1  _CA2    20     1.46254   123.47659  -179.69868
   21    20 S   HC   _HA2    21     1.09737   109.31221   -15.30060
   22    20 S   C    _C2_    22     1.53375   108.23297  -130.83678
   23    22 S   O    _O2_    23     1.23011   122.46937  -147.47343
   24    20 S   CT   _CB2    32     1.53365   111.26536   106.92886
   25    24 S   HC   HB21    33     1.09436   109.55695    54.48524
   26    24 S   HC   HB22    34     1.09510   110.68364   172.79846
   27    22 S   N    _N3_    24     1.38398   113.36789    40.04282
   28    27 S   H    _HN3    25     1.01655   119.50348    -3.52631
   29    24 S   S    _SG2    35     1.83042   111.29580   -68.38918
   30    27 S   CT   _CA3    26     1.45289   123.07782   176.94117
   31    30 S   HC   HA31    27     1.09553   107.53587   -63.48919
   32    30 S   HC   HA32    28     1.09559   107.92916    52.90729
   33    29 S   CT   _C25    36     1.89235   100.99332   147.46454
   34    30 S   CO3  _C3_    29     1.52923   114.15774   174.88726
   35    34 S   O2Z  _O31    30     1.26361   116.05613    -0.71134
   36    34 S   O2Z  _O32    31     1.26430   114.41180   179.34181
   37    33 S   CT   _C15    37     1.56333   108.09030   -76.40035
   38    37 S   HC   _H3_    38     1.09923   108.90593    52.13044
   39    33 S   CT   _C24    93     1.57089   108.04696   161.82288
   40    33 S   OH   _O37   111     1.42874   105.84691    43.61675
   41    40 S   HO   _H23   112     0.97433   108.28383  -178.34732
   42    37 S   CO4  _C14    39     1.53421   113.57470   165.64175
   43    42 S   O    _O35    40     1.22967   121.19677   -34.58253
   44    39 S   OH   _O38    94     1.44273   108.91915   -53.55945
   45    44 S   HO   _H24    95     0.97521   107.11510   -44.63436
   46    42 S   CA   _C12    41     1.49539   120.13007   149.54867
   47    46 S   CA   _C11    42     1.40687   119.83299     4.03726
   48    47 S   CA   _C10    43     1.41901   119.85042   179.18675
   49    47 S   CT   _C17    76     1.51008   120.09555    -0.25944
   50    49 S   HC   _H19    77     1.09726   108.06752    91.03796
   51    49 S   HC   _H20    78     1.09614   110.94429  -151.65157
   52    48 S   CA   _C9_    44     1.40967   119.09844     1.71304
   53    52 S   HA   _H17    45     1.08425   117.82894  -179.25770
   54    48 S   NE   _N8_    67     1.40252   120.56013  -177.48962
   55    37 S   CT   _C16    79     1.53626   111.53003   -67.36186
   56    55 S   HC   _H4_    80     1.09771   109.05712    64.83089
   57    52 S   CA   _C8_    46     1.39407   121.53230    -0.78634
   58    54 S   CT   _C29    68     1.45620   118.01133  -131.98738
   59    58 S   HC   _H34    69     1.09546   109.98913   163.02034
   60    58 S   HC   _H35    70     1.09580   111.14672    44.52087
   61    58 S   HC   _H36    71     1.09519   111.56230   -77.40484
   62    54 S   CT   _C30    72     1.45814   115.09113    83.07525
   63    62 S   HC   _H37    73     1.09513   110.28303  -168.36324
   64    62 S   HC   _H38    74     1.09583   110.66440    72.18347
   65    62 S   HC   _H39    75     1.09466   111.98287   -48.82818
   66    55 S   CT   _C18    81     1.53799   112.43321   -53.45910
   67    66 S   HC   _H21    82     1.09804   108.83692   175.30326
   68    66 S   HC   _H22    83     1.09465   109.94905   -69.24888
   69    46 S   CA   _C13    47     1.40767   120.72584  -175.53994
   70    57 S   N    _N5_    50     1.41753   123.89598  -179.96574
   71    70 S   H    _H16    51     1.01833   113.95460   178.89147
   72    66 S   CT   _C19    84     1.54615   112.67181    54.64607
   73    72 S   HC   _H5_    85     1.09439   105.91909    64.85430
   74    69 S   OH   _O34    48     1.37582   122.54161    -0.19584
   75    74 S   HO   _H18    49     0.97388   109.14797    -6.65794
   76    70 S   C    _C7_    52     1.38722   127.96119    -1.91571
   77    76 S   O    _O33    53     1.22786   127.56980    -1.54383
   78    72 S   CT   _C20    86     1.55783   110.76522  -178.93596
   79    78 S   HC   _H6_    87     1.10111   107.48534   -52.98989
   80    76 S   CT1  _C6_    54     1.51816   111.70752   179.39834
   81    80 S   HC   _H14    55     1.09529   107.80757    91.78525
   82    80 S   HC   _H15    56     1.09476   112.42096   -29.33882
   83    78 S   CMA  _C21    88     1.54044   110.16876    67.64204
   84    83 S   OM   _O40    89     1.26612   110.38574  -142.73073
   85    78 S   NP   _N7_   101     1.55979   109.20785  -165.78881
   86    85 S   H    _H27   102     1.03019   106.29212   -43.21365
   87    80 S   NP   _N4_    57     1.51747   111.73233  -150.28882
   88    87 S   H    _H10    58     1.03018   106.66996   -46.05901
   89    83 S   CM   _C22    90     1.35602   119.13589    34.86607
   90    85 S   CT   _C27   103     1.51022   112.81573    73.67345
   91    90 S   HC   _H28   104     1.09309   108.52256    60.92956
   92    90 S   HC   _H29   105     1.09366   108.16968  -178.81370
   93    90 S   HC   _H30   106     1.09032   109.26004   -60.55203
   94    85 S   CT   _C28   107     1.50916   114.91062  -159.96979
   95    94 S   HC   _H31   108     1.09282   108.75638   -59.64278
   96    94 S   HC   _H32   109     1.09219   108.79179    62.95866
   97    94 S   HC   _H33   110     1.09399   108.04806  -179.56389
   98    87 S   CT   _C4_    59     1.50510   112.70939    71.00745
   99    98 S   HC   _H7_    60     1.09327   108.58139    62.96627
  100    98 S   HC   _H8_    61     1.09324   107.99115  -176.66657
  101    98 S   HC   _H9_    62     1.09249   108.57644   -57.79718
  102    87 S   CT   _C5_    63     1.50315   111.79602  -162.53543
  103   102 S   HC   _H11    64     1.09325   108.58048   -62.48067
  104   102 S   HC   _H12    65     1.09314   108.10200    58.10550
  105   102 S   HC   _H13    66     1.09318   108.12414   176.90636
  106    89 S   CO4  _C23    91     1.49847   122.45023    -1.76236
  107   106 S   O    _O36    92     1.23313   118.59397   166.87403
  108    89 S   C    _C26    96     1.49916   118.06858   178.03776
  109   108 S   O    _O39    97     1.22666   122.75535   -55.88006
  110   108 S   N    _N6_    98     1.37305   113.42034   124.75309
  111   110 S   H    _H25    99     1.01320   122.90498     0.00000
  112   110 S   H    _H26   100     1.01355   120.14303   179.76761
  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  11   5   4   3
  20   2   1   1  20   9  19   6   1  11   4   8   2  13  15  18
  11   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1
   1   9   4   3   5   8   3  12   5   1   1   8   4  16   7  12
   5   4  11   4  10   8   9   8   7   7   3   2   1   3   2   1
   1   7   3   2   1   3   2   1   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    55    72   106    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    55    56    66    72    73    78    89   106   107    39    44    45    40    41  
   35    36  
   36  
    0  
   38    42    43    46    47    69    49    50    51    55    56    66    67    68    72   106    39    44    40    41  
   42    43    46    49    55    56    66    39    40  
   44    45   108    85    40    41    42    55    66    67    68    72    73    78    79    83    89   106   107  
   41    42    44    55    72   106  
    0  
   43    46    47    48    57    69    74    49    55    56    66  
   46    47    69    55  
   45    66    72    73    78    89   106   107  
   72   106  
   47    48    52    57    69    74    75    70    54    49    50    51    55  
   48    52    53    57    69    74    54    58    62    49    50    51    55    56    66  
   52    53    57    69    70    54    58    59    60    61    62    63    64    65    49    50    51    55  
   50    51    55    56    66    67    68    72    52    54    69  
   51    55    56    66  
   55    56    66  
   53    57    69    74    70    71    76    54    58    62  
   57    69    70    54  
   58    59    60    61    62    63    64    65    57  
   56    66    67    68    72    73    78  
   66    67    68    72  
   69    74    75    70    71    76    77    80  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    72    73    78    79    83   106    85  
   68    72    73    78  
   72    73    78  
   74    75    70    71    76  
   71    76    77    80    81    82    87    74  
   76    77    80  
   73    78    79    83    84    89   106   107    85    86    90    94  
   78    79    83   106    85  
   75  
    0  
   77    80    81    82    87    88    98   102  
   80    81    82    87  
   79    83    84    89   106   108    85    86    90    91    92    93    94    95    96    97  
   83    84    89    85    86    90    94  
   81    82    87    88    98    99   100   101   102   103   104   105  
   82    87    88    98   102  
   87    88    98   102  
   84    89   106   107   108   109   110    85    86    90    94  
   89   106   108    85  
   86    90    91    92    93    94    95    96    97    89  
   90    91    92    93    94    95    96    97  
   88    98    99   100   101   102   103   104   105  
   98    99   100   101   102   103   104   105  
  106   107   108   109   110   111   112  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105  
  104   105  
  105  
    0  
  107   108   109   110  
  108  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   85   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   86   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   88   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  108   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  110   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  111   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  112   0.5000   0.0300   0.380000   1.5900   1.4000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    42   317.000  1.522
   37    55   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    47   469.000  1.400
   46    69   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    52   469.000  1.400
   48    54   481.000  1.340
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    69   469.000  1.400
   57    70   360.000  1.404
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   434.000  1.010
   70    76   490.000  1.335
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   367.000  1.471
   87    88   434.000  1.010
   87    98   367.000  1.471
   87   102   367.000  1.471
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   54    58   382.000  1.448
   54    62   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    39   268.000  1.529
   78    79   340.000  1.090
   78    83   270.000  1.512
   78    85   367.000  1.471
   83    84   745.000  1.250
   83    89   465.000  1.376
   89   106   320.000  1.462
   89   108   410.000  1.444
  106   107   570.000  1.229
  106    39   317.000  1.522
   39    44   320.000  1.410
   44    45   553.000  0.945
  108   109   570.000  1.229
  108   110   490.000  1.335
  110   111   434.000  1.010
  110   112   434.000  1.010
   85    86   434.000  1.010
   85    90   367.000  1.471
   85    94   367.000  1.471
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   40    41   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    37    55    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39   106    63.00000  111.10000
   33    39    44    50.00000  109.50000
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  115.47100
   37    55    49    58.35000  112.70000
   37    55    56    37.50000  110.70000
   37    55    66    58.35000  112.70000
   42    37    38    35.00000  109.50000
   42    46    47    60.00000  119.52600
   42    46    69    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    47    48    63.00000  120.00000
   46    47    49    70.00000  120.00000
   46    69    57    63.00000  120.00000
   46    69    74    70.00000  120.00000
   47    48    52    63.00000  120.00000
   47    48    54    70.00000  120.10000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    55    70.00000  112.17500
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    58    50.00000  120.00000
   48    54    62    50.00000  120.00000
   52    57    69    63.00000  120.00000
   52    57    70    70.00000  119.01900
   57    52    53    35.00000  120.00000
   57    69    74    70.00000  120.00000
   57    70    71    45.00000  118.23600
   57    70    76    65.00000  121.96500
   69    46    47    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    57    69    70.00000  119.01900
   70    76    77    80.00000  122.90000
   70    76    80    70.00000  116.60000
   76    70    71    35.00000  119.80000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    87    80.00000  111.20000
   80    76    77    80.00000  120.40000
   80    87    88    35.00000  109.50000
   80    87    98    75.00000  113.01200
   80    87   102    75.00000  113.01200
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   87    98    99    35.00000  109.50000
   87    98   100    35.00000  109.50000
   87    98   101    35.00000  109.50000
   87   102   103    35.00000  109.50000
   87   102   104    35.00000  109.50000
   87   102   105    35.00000  109.50000
   98    87    88    35.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    87    88    35.00000  109.50000
  102    87    98    75.00000  113.01200
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   54    48    52    70.00000  120.10000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    58    50.00000  115.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   49    47    48    70.00000  120.00000
   49    55    56    37.50000  110.70000
   49    55    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    37    38    37.50000  110.70000
   55    37    42    63.00000  111.10000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    72    58.35000  112.70000
   66    55    56    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    72    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    83    70.00000  112.02700
   72    78    85    80.00000  111.20000
   72    39   106    63.00000  111.10000
   72    39    44    50.00000  109.50000
   78    72    73    37.50000  110.70000
   78    83    84    85.00000  112.85300
   78    83    89    65.00000  122.18000
   78    85    86    35.00000  109.50000
   78    85    90    75.00000  113.01200
   78    85    94    75.00000  113.01200
   83    78    79    45.00000  110.52000
   83    89   106    60.00000  125.92000
   83    89   108    60.00000  120.04000
   89    83    84    65.00000  137.10300
   89   106   107    80.00000  123.72100
   89   106    39    65.00000  118.62400
   89   108   109    80.00000  125.30000
   89   108   110    80.00000  111.56200
  106    39    44    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    78    58.35000  112.70000
   39   106   107    80.00000  120.40000
   39    44    45    55.00000  108.50000
  108    89   106    55.00000  123.68000
  108   110   111    35.00000  119.80000
  108   110   112    35.00000  119.80000
  110   108   109    80.00000  122.90000
  112   110   111    35.00000  120.00000
   85    78    79    35.00000  109.50000
   85    78    83    75.00000  110.06800
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    90    93    35.00000  109.50000
   85    94    95    35.00000  109.50000
   85    94    96    35.00000  109.50000
   85    94    97    35.00000  109.50000
   90    85    86    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    85    86    35.00000  109.50000
   94    85    90    75.00000  113.01200
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    39    50.00000  109.50000
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
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   39    33    37    42   0.29450  1.0 3.0
   39    33   -37    55   0.56750  1.0 1.0
   39    33   -37    55  -0.07550 -1.0 2.0
   39    33   -37    55   0.20000  1.0 3.0
   39    33    40    41  -0.11600  1.0 1.0
   39    33    40    41  -0.09450 -1.0 2.0
   39    33    40    41   0.21250  1.0 3.0
   39    72    78    79   0.15000  1.0 3.0
   39    72   -78    83   0.34400  1.0 1.0
   39    72   -78    83   0.09450 -1.0 2.0
   39    72   -78    83   0.11100  1.0 3.0
   39    72    78    85   1.36600  1.0 1.0
   39    72    78    85  -0.11450 -1.0 2.0
   39    72    78    85   0.24250  1.0 3.0
  108    89   106   107   2.50000 -1.0 2.0
  108    89   106    39   1.50000 -1.0 2.0
  109   108   110   111   2.45000 -1.0 2.0
  109   108   110   112   2.45000 -1.0 2.0
   85    78    83    84   0.09700  1.0 1.0
   85    78    83    84   0.15600 -1.0 2.0
   85    78    83    84  -0.50800  1.0 3.0
   85    78    83    89   0.80850  1.0 1.0
   85    78    83    89  -0.47300 -1.0 2.0
   85    78    83    89  -0.52300  1.0 3.0
   86    85    90    91   0.13050  1.0 3.0
   86    85    90    92   0.13050  1.0 3.0
   86    85    90    93   0.13050  1.0 3.0
   86    85    94    95   0.13050  1.0 3.0
   86    85    94    96   0.13050  1.0 3.0
   86    85    94    97   0.13050  1.0 3.0
   90    85    94    95   0.15000  1.0 3.0
   90    85    94    96   0.15000  1.0 3.0
   90    85    94    97   0.15000  1.0 3.0
   94    85    90    91   0.15000  1.0 3.0
   94    85    90    92   0.15000  1.0 3.0
   94    85    90    93   0.15000  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    42  -0.09450  1.0 1.0
   40    33    37    42  -1.12950 -1.0 2.0
   40    33    37    42   0.54000  1.0 3.0
   40    33    37    55   0.86500  1.0 1.0
   40    33    37    55  -0.17500 -1.0 2.0
   40    33    37    55   0.20800  1.0 3.0
   40    33    39    72   0.86500  1.0 1.0
   40    33    39    72  -0.17500 -1.0 2.0
   40    33    39    72   0.20800  1.0 3.0
   40    33    39   106  -0.09450  1.0 1.0
   40    33    39   106  -1.12950 -1.0 2.0
   40    33    39   106   0.54000  1.0 3.0
   40    33    39    44   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
   47    69    46    42   4.00000 -1.0 2.0
   48    49    47    46   4.00000 -1.0 2.0
   52    54    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   69    70    57    52   4.00000 -1.0 2.0
   57    74    69    46   4.00000 -1.0 2.0
   71    76    70    57   1.00000 -1.0 2.0
   70    80    76    77  10.50000 -1.0 2.0
   62    48    54    58   1.00000 -1.0 2.0
   78    84    83    89   1.10000 -1.0 2.0
  106   108    89    83   1.10000 -1.0 2.0
   89    39   106   107  10.50000 -1.0 2.0
   89   110   108   109  10.50000 -1.0 2.0
  112   108   110   111   1.00000 -1.0 2.0
END
