* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    226    371     680
    1     0 S   NP   _N1_     1    29.76810   102.96507   -19.66681
    2     1 S   H    _HN1     2     1.02837    39.90938   -18.59650
    3     1 S   H    _H1_     3     1.02981    69.57530   141.39567
    4     1 S   H    _H2_     4     1.02783   108.10766  -115.82697
    5     1 S   CT   _CA1     5     1.50554   137.33395    44.03400
    6     5 S   HC   _HA1     6     1.09621   104.42021   145.13461
    7     5 S   CO3  _C1_     7     1.54490   110.97190    29.42154
    8     7 S   O2Z  _O11     8     1.25989   116.77020  -127.51456
    9     7 S   O2Z  _O12     9     1.26595   113.79109    51.66648
   10     5 S   CT   _CB1    10     1.53165   107.04930   -98.79580
   11    10 S   HC   HB11    11     1.09838   110.03408   -39.17007
   12    10 S   HC   HB12    12     1.09763   110.21113    77.55557
   13    10 S   CT   _CG1    13     1.53032   112.34780  -159.62235
   14    13 S   HC   HG11    14     1.09496   111.18361   -59.38428
   15    13 S   HC   HG12    15     1.09665   109.47701    59.64227
   16    13 S   C    _CD1    16     1.51840   112.37424   179.64227
   17    16 S   O    _OE1    17     1.22724   123.41048     4.42722
   18    16 S   N    _N2_    18     1.38522   111.55444  -175.59447
   19    18 S   H    _HN2    19     1.01532   118.68351     5.23843
   20    18 S   CT1  _CA2    20     1.45819   123.12298   176.60939
   21    20 S   HC   _HA2    21     1.09701   109.13569    24.19990
   22    20 S   C    _C2_    22     1.52940   106.65357   -92.86852
   23    22 S   O    _O2_    23     1.22985   123.01486   -27.43794
   24    20 S   CT   _CB2    32     1.53110   111.94185   147.90409
   25    24 S   HC   HB21    33     1.09576   109.88014    51.10659
   26    24 S   HC   HB22    34     1.09529   110.73067   169.17576
   27    22 S   N    _N3_    24     1.38473   112.55329   155.39995
   28    27 S   H    _HN3    25     1.01653   120.36988    -2.23861
   29    24 S   S    _SG2    35     1.83020   111.57349   -71.76752
   30    27 S   CT   _CA3    26     1.45358   122.49868   178.55979
   31    30 S   HC   HA31    27     1.09566   107.83959   -55.33305
   32    30 S   HC   HA32    28     1.09562   107.59039    61.01216
   33    29 S   CT   _C29    36     1.85339    99.72988   136.26816
   34    33 S   HC   _H3_    37     1.09762   106.89454    30.21983
   35    30 S   CO3  _C3_    29     1.52894   114.29784  -177.23487
   36    35 S   O2Z  _O31    30     1.26340   116.04586     0.57845
   37    35 S   O2Z  _O32    31     1.26434   114.41782  -179.46881
   38    33 S   CT   _C27    38     1.54971   106.64102   -85.01400
   39    38 S   HC   _H71    39     1.09390   108.49291    40.80378
   40    38 S   HC   _H72    40     1.09485   110.57083   -74.77785
   41    33 S   CT   _C30   100     1.56261   112.38636   147.08160
   42    38 S   CT   _C26    41     1.53513   114.42248   160.07464
   43    42 S   HC   _H69    42     1.09435   110.02100    60.50260
   44    42 S   HC   _H70    43     1.09661   108.91617   -55.14867
   45    41 S   CT   _C24   101     1.53893   112.22375   -53.91003
   46    45 S   HC   _H63   102     1.09612   110.70175   -51.56127
   47    45 S   HC   _H64   103     1.09392   112.67221    70.46052
   48    45 S   HC   _H65   104     1.09675   110.81873  -169.01663
   49    41 S   CT   _C25   105     1.53366   114.00392    71.38350
   50    49 S   HC   _H66   106     1.09492   111.44881    65.04927
   51    49 S   HC   _H67   107     1.09379   112.25701   -57.51508
   52    49 S   HC   _H68   108     1.09677   110.59490  -177.97435
   53    41 S   OH   _O30   109     1.43580   107.54073  -169.55309
   54    53 S   HO   _H76   110     0.97260   108.27150  -177.64150
   55    42 S   CT   _C28    44     1.55510   114.83000  -177.96933
   56    55 S   HC   _H73    45     1.09788   105.54070   175.75342
   57    55 S   CT   _C15    46     1.55291   113.37825    57.14098
   58    57 S   HC   _H51    47     1.09937   107.57761   -64.23566
   59    55 S   CT   _C23    96     1.53225   109.49707   -69.45628
   60    59 S   HC   _H60    97     1.09458   111.71146    79.51287
   61    59 S   HC   _H61    98     1.09265   110.96491  -159.26044
   62    59 S   HC   _H62    99     1.09557   111.21494   -41.19674
   63    57 S   CT   _C6_    48     1.55498   112.26095    53.63956
   64    63 S   HC   _H36    49     1.09601   111.81845    32.25297
   65    63 S   HC   _H37    50     1.09522   110.72532   -87.42046
   66    63 S   CT   _C4_    51     1.53416   106.96284   151.92960
   67    66 S   HC   _H32    52     1.09489   111.18485   127.75839
   68    66 S   HC   _H33    53     1.09575   110.43423  -112.87869
   69    66 S   CT   _C12    54     1.52283   104.09348     6.96655
   70    69 S   HC   _H48    55     1.10255   105.94833    79.29853
   71    69 S   CT   _C14    56     1.53540   117.94242  -162.14653
   72    71 S   HC   _H50    57     1.09462   108.72697    61.22589
   73    71 S   CT   _C10    58     1.54029   109.94566   -56.03786
   74    73 S   HC   _H44    59     1.09784   110.33294   -37.55167
   75    73 S   HC   _H45    60     1.09700   108.80381    78.36260
   76    71 S   CT   _C13    76     1.56089   109.34070  -179.45824
   77    76 S   HC   _H49    77     1.09950   106.19424    66.46469
   78    73 S   C3T  _C16    61     1.49272   114.60738  -159.64901
   79    78 S   HC   _H52    62     1.08147   113.34377  -148.40189
   80    76 S   CT   _C5_    78     1.55000   112.55082   -47.88208
   81    80 S   HC   _H34    79     1.09338   110.75075   -75.10835
   82    80 S   HC   _H35    80     1.09599   109.58371   168.18670
   83    78 S   C3T  _C20    63     1.51047   123.43548    11.51192
   84    80 S   CT   _C8_    81     1.53729   114.13229    47.57858
   85    84 S   HC   _H40    82     1.09686   108.82478    68.52543
   86    84 S   HC   _H41    83     1.09320   108.00332  -176.43547
   87    83 S   CT   _C11    64     1.50481   120.38434  -165.91231
   88    87 S   HC   _H46    65     1.09628   110.59136    92.14633
   89    87 S   HC   _H47    66     1.09800   111.20233   -23.98569
   90    57 S   CT   _C18    84     1.56095   119.45641   174.13335
   91    78 S   O3T  _O28    95     1.43987   111.72333    76.91204
   92    87 S   CT   _C17    67     1.52807   110.35219  -145.11970
   93    92 S   HC   _H53    68     1.09685   109.42647    68.67644
   94    90 S   CT   _C21    85     1.54624   111.12055   -46.84793
   95    94 S   HC   _H54    86     1.09446   112.46621   -47.14643
   96    94 S   HC   _H55    87     1.09326   112.69779  -167.80644
   97    94 S   HC   _H56    88     1.09530   110.75124    72.70827
   98    92 S   CT   _C7_    69     1.52919   111.75695   -52.67446
   99    98 S   HC   _H38    70     1.09666   109.99951   -70.23315
  100    98 S   HC   _H39    71     1.09727   109.32159   174.94902
  101    92 S   OH   _O29    93     1.42341   108.70137  -173.79414
  102   101 S   HO   _H75    94     0.97247   107.54531  -179.86294
  103    98 S   CT   _C9_    72     1.53297   112.21245    53.36446
  104   103 S   HC   _H42    73     1.09774   107.89499    67.85318
  105   103 S   HC   _H43    74     1.09596   108.24226  -176.89467
  106    83 S   CT   _C19    75     1.52945   119.49179    -6.60634
  107   106 S   CT   _C22    89     1.55075   108.76471   -94.57209
  108   107 S   HC   _H57    90     1.09397   111.89023    60.47905
  109   107 S   HC   _H58    91     1.09424   112.30352   -58.23099
  110   107 S   HC   _H59    92     1.09346   112.02230  -177.66410
  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
  19   8   2   1   1  13   6   5  11  12   5   4   9   4   3   2
   5   3   2   1   1   1  15   8  23   9   5   2   1   1  11   6
   5  11   5   4  19   7  19   9  12   6   5  21   8  10   4  11
   6   5  16   8   3   2  13   7   6   4   4  10   6   3   2   1
   1   9   6   5   2   1   7   3   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    55    41    45    46    47    48    49    50    51    52    53    54  
   38    39    40    42    41    45    49    53  
   36    37  
   37  
    0  
   39    40    42    43    44    55    56    57    59    41    45    49    53  
   40    42    43    44    55    41  
   42    43    44    55    41  
   45    46    47    48    49    50    51    52    53    54    42  
   43    44    55    56    57    58    63    90    59    60    61    62  
   44    55    56    57    59  
   55    56    57    59  
   46    47    48    49    50    51    52    53    54  
   47    48    49    53  
   48    49    53  
   49    53  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    57    58    63    64    65    66    69    84    90    94    59    60    61    62  
   57    58    63    90    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    80    84    85    86    90    94    95    96    97    59    60    61    62  
   63    64    65    66    69    84    90    94    59  
   60    61    62    63    90  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    84    90    94  
   65    66    67    68    69    90  
   66    67    68    69    90  
   67    68    69    70    71    72    73    76    84    90    94  
   68    69    70    71    90  
   69    70    71    90  
   70    71    72    73    74    75    78   106    76    77    80    84    85    86    90    94    95    96    97  
   71    72    73    76    84    90    94  
   72    73    74    75    78    79    83   103   106    76    77    80    81    82    84    90    94   107    91  
   73    74    75    78   106    76    77    80    90  
   74    75    78    79    83    87   106    76    77    80    90    91  
   75    78    79    83    76    91  
   78    79    83    76    91  
   77    80    81    82    84    85    86    90   107   108   109   110    91    78    83    87    98   103   104   105   106  
   80    81    82    84   107    83   103   106  
   79    83    87    88    89    92   103   106   107    91  
   83    87   106    91  
   81    82    84    85    86    90    94   107    83   103   106  
   82    84    85    86    90   106  
   84    85    86    90   106  
   87    88    89    92    93    98   103   104   105   106   107   108   109   110   101    91  
   85    86    90    94    95    96    97   106  
   86    90    94  
   90    94  
   88    89    92    93    98    99   100   103   106   107   101   102    91  
   89    92    93    98   106   101    91  
   92    93    98   106   101    91  
   94    95    96    97  
   92   103   106   107  
   93    98    99   100   103   104   105   106   101   102  
   98    99   100   103   101   102  
   95    96    97  
   96    97  
   97  
    0  
   99   100   103   104   105   106   107   101   102  
  100   103   104   105   106   101  
  103   104   105   106   101  
  102   103  
    0  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   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   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    90   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    90   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   275.000  1.510
   78    79   340.000  1.088
   78    83   260.000  1.509
   78    91   335.000  1.432
   83    87   275.000  1.510
   83   106   275.000  1.510
   83    91   335.000  1.432
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    98   268.000  1.529
   92   101   320.000  1.410
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106    76   268.000  1.529
  106   107   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    90   268.000  1.529
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  101   102   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    53   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   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    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    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    55    58.35000  112.70000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    55    56    37.50000  110.70000
   42    55    57    58.35000  112.70000
   42    55    59    58.35000  112.70000
   44    42    43    33.00000  107.80000
   55    42    43    37.50000  110.70000
   55    42    44    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    58.35000  112.70000
   55    57    90    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    58.35000  112.70000
   57    90    69    58.35000  112.70000
   57    90    84    58.35000  112.70000
   57    90    94    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    90    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    76    58.35000  112.70000
   69    90    84    58.35000  112.70000
   69    90    94    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    70.00000  112.37300
   71    76   106    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    78    79    40.00000  115.04500
   73    78    83    60.00000  120.94000
   73    78    91    80.00000  116.47100
   75    73    74    33.00000  107.80000
   78    73    74    45.00000  109.38400
   78    73    75    45.00000  109.38400
   78    83    87    60.00000  120.94000
   78    83   106    60.00000  120.94000
   78    83    91    15.00000   60.43100
   78    91    83    15.00000   59.14900
   83    78    79    37.50000  117.20000
   83    87    88    45.00000  109.38400
   83    87    89    45.00000  109.38400
   83    87    92    70.00000  112.37300
   83   106   103    70.00000  112.37300
   83   106    76    70.00000  112.37300
   83   106   107    70.00000  112.37300
   87    92    93    37.50000  110.70000
   87    92    98    58.35000  112.70000
   87    92   101    50.00000  109.50000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   103    58.35000  112.70000
   92   101   102    55.00000  108.50000
   98    92    93    37.50000  110.70000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    58.35000  112.70000
  100    98    99    33.00000  107.80000
  103    98    99    37.50000  110.70000
  103    98   100    37.50000  110.70000
  103   106    76    58.35000  112.70000
  103   106   107    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106    83    87    58.35000  112.70000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106    76    77    37.50000  110.70000
  106    76    80    58.35000  112.70000
  106   107   108    37.50000  110.70000
  106   107   109    37.50000  110.70000
  106   107   110    37.50000  110.70000
   76    71    72    37.50000  110.70000
   76    71    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    90    94    58.35000  112.70000
   86    84    85    33.00000  107.80000
   90    57    58    37.50000  110.70000
   90    57    63    58.35000  112.70000
   90    69    70    37.50000  110.70000
   90    69    71    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    84    86    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    97    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
  107   106    76    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  101    92    93    35.00000  109.50000
  101    92    98    50.00000  109.50000
   91    78    79    50.00000  114.27700
   91    78    83    15.00000   60.43100
   91    83    87    80.00000  116.47100
   91    83   106    80.00000  116.47100
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   41    53    54    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    41    45    50.00000  109.50000
   53    41    49    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
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   88    87    92   101   0.23400  1.0 3.0
   89    87    92    93   0.15000  1.0 3.0
   89    87    92    98   0.15000  1.0 3.0
   89    87    92   101   0.23400  1.0 3.0
   92    98   103   104   0.15000  1.0 3.0
   92    98   103   105   0.15000  1.0 3.0
   92    98   103   106   0.56750  1.0 1.0
   92    98   103   106  -0.07550 -1.0 2.0
   92    98   103   106   0.20000  1.0 3.0
   93    92    98    99   0.15000  1.0 3.0
   93    92    98   100   0.15000  1.0 3.0
   93    92    98   103   0.15000  1.0 3.0
   93    92   101   102   0.19450  1.0 3.0
   98    92   101   102  -0.11600  1.0 1.0
   98    92   101   102  -0.09450 -1.0 2.0
   98    92   101   102   0.21250  1.0 3.0
   98   103  -106    83   0.47050  1.0 1.0
   98   103  -106    83   0.03900 -1.0 2.0
   98   103  -106    83   0.20100  1.0 3.0
   98   103   106    76   0.56750  1.0 1.0
   98   103   106    76  -0.07550 -1.0 2.0
   98   103   106    76   0.20000  1.0 3.0
   98   103   106   107   0.56750  1.0 1.0
   98   103   106   107  -0.07550 -1.0 2.0
   98   103   106   107   0.20000  1.0 3.0
   99    98   103   104   0.15000  1.0 3.0
   99    98   103   105   0.15000  1.0 3.0
   99    98   103   106   0.15000  1.0 3.0
  100    98   103   104   0.15000  1.0 3.0
  100    98   103   105   0.15000  1.0 3.0
  100    98   103   106   0.15000  1.0 3.0
  103   106    76    71   0.56750  1.0 1.0
  103   106    76    71  -0.07550 -1.0 2.0
  103   106    76    71   0.20000  1.0 3.0
  103   106    76    77   0.15000  1.0 3.0
  103   106    76    80   0.56750  1.0 1.0
  103   106    76    80  -0.07550 -1.0 2.0
  103   106    76    80   0.20000  1.0 3.0
  103   106   107   108   0.15000  1.0 3.0
  103   106   107   109   0.15000  1.0 3.0
  103   106   107   110   0.15000  1.0 3.0
  104   103   106    83   0.15000  1.0 3.0
  104   103   106    76   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  105   103   106    83   0.15000  1.0 3.0
  105   103   106    76   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  106    83    87    88   0.15000  1.0 3.0
  106    83    87    89   0.15000  1.0 3.0
  106    83   -87    92   0.56750  1.0 1.0
  106    83   -87    92  -0.07550 -1.0 2.0
  106    83   -87    92   0.20000  1.0 3.0
  106    83   -91    78   0.06250  1.0 1.0
  106    83   -91    78  -0.01100 -1.0 2.0
  106    83   -91    78   0.28050  1.0 3.0
  106    76    80    81   0.15000  1.0 3.0
  106    76    80    82   0.15000  1.0 3.0
  106    76    80    84   0.56750  1.0 1.0
  106    76    80    84  -0.07550 -1.0 2.0
  106    76    80    84   0.20000  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    78   0.47050  1.0 1.0
   76    71   -73    78   0.03900 -1.0 2.0
   76    71   -73    78   0.20100  1.0 3.0
   76   106   107   108   0.15000  1.0 3.0
   76   106   107   109   0.15000  1.0 3.0
   76   106   107   110   0.15000  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    86   0.15000  1.0 3.0
   76    80    84    90   0.56750  1.0 1.0
   76    80    84    90  -0.07550 -1.0 2.0
   76    80    84    90   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   80    84    90    57   0.56750  1.0 1.0
   80    84    90    57  -0.07550 -1.0 2.0
   80    84    90    57   0.20000  1.0 3.0
   80    84   -90    69   0.56750  1.0 1.0
   80    84   -90    69  -0.07550 -1.0 2.0
   80    84   -90    69   0.20000  1.0 3.0
   80    84    90    94   0.56750  1.0 1.0
   80    84    90    94  -0.07550 -1.0 2.0
   80    84    90    94   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    90   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    86   0.15000  1.0 3.0
   82    80    84    90   0.15000  1.0 3.0
   84    90    94    95   0.15000  1.0 3.0
   84    90    94    96   0.15000  1.0 3.0
   84    90    94    97   0.15000  1.0 3.0
   85    84    90    57   0.15000  1.0 3.0
   85    84    90    69   0.15000  1.0 3.0
   85    84    90    94   0.15000  1.0 3.0
   86    84    90    57   0.15000  1.0 3.0
   86    84    90    69   0.15000  1.0 3.0
   86    84    90    94   0.15000  1.0 3.0
   90    57    63    64   0.15000  1.0 3.0
   90    57    63    65   0.15000  1.0 3.0
   90    57   -63    66   0.56750  1.0 1.0
   90    57   -63    66  -0.07550 -1.0 2.0
   90    57   -63    66   0.20000  1.0 3.0
   90    69    71    72   0.15000  1.0 3.0
   90    69    71    73   0.56750  1.0 1.0
   90    69    71    73  -0.07550 -1.0 2.0
   90    69    71    73   0.20000  1.0 3.0
   90    69   -71    76   0.56750  1.0 1.0
   90    69   -71    76  -0.07550 -1.0 2.0
   90    69   -71    76   0.20000  1.0 3.0
  107   106    76    71   0.56750  1.0 1.0
  107   106    76    71  -0.07550 -1.0 2.0
  107   106    76    71   0.20000  1.0 3.0
  107   106    76    77   0.15000  1.0 3.0
  107   106    76    80   0.56750  1.0 1.0
  107   106    76    80  -0.07550 -1.0 2.0
  107   106    76    80   0.20000  1.0 3.0
  101    92    98    99   0.23400  1.0 3.0
  101    92    98   100   0.23400  1.0 3.0
  101    92    98   103   0.86500  1.0 1.0
  101    92    98   103  -0.17500 -1.0 2.0
  101    92    98   103   0.20800  1.0 3.0
   91    78   -83    87   0.02550  1.0 1.0
   91    78   -83    87  -0.02600 -1.0 2.0
   91    78   -83    87   1.20400  1.0 3.0
   91    78   -83   106   0.02550  1.0 1.0
   91    78   -83   106  -0.02600 -1.0 2.0
   91    78   -83   106   1.20400  1.0 3.0
   91    83    87    88   0.23400  1.0 3.0
   91    83    87    89   0.23400  1.0 3.0
   91    83    87    92   0.02550  1.0 1.0
   91    83    87    92  -0.02600 -1.0 2.0
   91    83    87    92   1.20400  1.0 3.0
   91    83   106   103   0.02550  1.0 1.0
   91    83   106   103  -0.02600 -1.0 2.0
   91    83   106   103   1.20400  1.0 3.0
   91    83   106    76   0.02550  1.0 1.0
   91    83   106    76  -0.02600 -1.0 2.0
   91    83   106    76   1.20400  1.0 3.0
   91    83   106   107   0.02550  1.0 1.0
   91    83   106   107  -0.02600 -1.0 2.0
   91    83   106   107   1.20400  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.56750  1.0 1.0
   59    55    57    63  -0.07550 -1.0 2.0
   59    55    57    63   0.20000  1.0 3.0
   59    55    57    90   0.56750  1.0 1.0
   59    55    57    90  -0.07550 -1.0 2.0
   59    55    57    90   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   45    41    53    54  -0.11600  1.0 1.0
   45    41    53    54  -0.09450 -1.0 2.0
   45    41    53    54   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    53    54  -0.11600  1.0 1.0
   49    41    53    54  -0.09450 -1.0 2.0
   49    41    53    54   0.21250  1.0 3.0
   53    41    45    46   0.23400  1.0 3.0
   53    41    45    47   0.23400  1.0 3.0
   53    41    45    48   0.23400  1.0 3.0
   53    41    49    50   0.23400  1.0 3.0
   53    41    49    51   0.23400  1.0 3.0
   53    41    49    52   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
END
