* LIGAND DATABASE FILE (OPLS2005)
*
001     105   108    201    317     600
    1     0 S   NP   _N1_     1    29.57461   102.37568   -19.42887
    2     1 S   H    _HN1     2     1.02772    92.74907  -101.32861
    3     1 S   H    _H1_     3     1.02954    42.71518    13.08548
    4     1 S   H    _H2_     4     1.02831    74.84135   150.83802
    5     1 S   CT   _CA1     5     1.50157   149.83780    45.58806
    6     5 S   HC   _HA1     6     1.09576   105.14697   154.50377
    7     5 S   CO3  _C1_     7     1.53680   112.48982    34.44301
    8     7 S   O2Z  _O11     8     1.26379   114.97579   -39.98274
    9     7 S   O2Z  _O12     9     1.26237   114.96382   139.12788
   10     5 S   CT   _CB1    10     1.53084   107.40597   -87.59228
   11    10 S   HC   HB11    11     1.09830   109.09571   -50.17867
   12    10 S   HC   HB12    12     1.09815   110.49884    66.32232
   13    10 S   CT   _CG1    13     1.53050   112.81560  -171.27492
   14    13 S   HC   HG11    14     1.09567   110.56459   -69.21476
   15    13 S   HC   HG12    15     1.09670   109.83459    49.99415
   16    13 S   C    _CD1    16     1.51879   112.20494   170.20692
   17    16 S   O    _OE1    17     1.22763   123.24086     6.15065
   18    16 S   N    _N2_    18     1.38500   111.79151  -173.74862
   19    18 S   H    _HN2    19     1.01581   119.05430     2.23406
   20    18 S   CT1  _CA2    20     1.45969   122.94927   175.74333
   21    20 S   HC   _HA2    21     1.09721   109.01434    25.01282
   22    20 S   C    _C2_    22     1.52924   106.73959   -92.06795
   23    22 S   O    _O2_    23     1.23001   122.99736   -28.64232
   24    20 S   CT   _CB2    32     1.53217   111.97226   148.50178
   25    24 S   HC   HB21    33     1.09268   109.27341    53.68325
   26    24 S   HC   HB22    34     1.09482   110.25848   172.13655
   27    22 S   N    _N3_    24     1.38496   112.65667   153.97652
   28    27 S   H    _HN3    25     1.01661   120.36625    -1.41693
   29    24 S   S    _SG2    35     1.82605   110.23141   -68.42794
   30    27 S   CT   _CA3    26     1.45352   122.37483   178.74306
   31    30 S   HC   HA31    27     1.09569   107.59699   -60.17121
   32    30 S   HC   HA32    28     1.09569   107.78418    56.10957
   33    29 S   CT   _C17    36     1.88332   102.83915   156.78003
   34    30 S   CO3  _C3_    29     1.52869   114.45784   178.02246
   35    34 S   O2Z  _O31    30     1.26317   116.12047    -1.16802
   36    34 S   O2Z  _O32    31     1.26457   114.38296   178.87656
   37    33 S   CT   _C16    37     1.54722   109.83778   -61.52039
   38    37 S   HC   _H5_    38     1.09394   113.08063    73.13345
   39    33 S   CT   _C30   102     1.60842   107.63245    56.52868
   40    39 S   OM   _O41   103     1.32552   111.23851    59.88776
   41    39 S   HC   _H35   104     1.10287   105.06428   -67.08910
   42    39 S   HC   _H36   105     1.09563   107.87113  -170.81911
   43    37 S   CT   _C15    39     1.53996   105.51832  -167.94743
   44    43 S   HC   _H19    40     1.09559   110.14236   -93.15363
   45    43 S   HC   _H20    41     1.09442   111.54154   147.56235
   46    37 S   OS   _O37    57     1.42821   110.07999   -46.01683
   47    43 S   CT   _C14    42     1.54203   105.46019    26.72227
   48    47 S   HC   _H4_    43     1.08790   110.93062   129.35086
   49    33 S   CT   _C18    44     1.62840   116.20166  -169.01052
   50    47 S   OS   _O36    91     1.44311   111.18097  -113.48767
   51    49 S   CT   _C19    45     1.64709   113.05329    52.10466
   52    49 S   CT   _C29    98     1.54030   112.05287   -75.33504
   53    52 S   HC   _H32    99     1.09412   111.55639    61.72505
   54    52 S   HC   _H33   100     1.09221   112.75277   -58.85665
   55    52 S   HC   _H34   101     1.08960   112.60559  -176.71687
   56    51 S   CT   _C20    46     1.56623   111.93856   -81.37986
   57    56 S   HC   _H21    47     1.08362   112.22300    48.74230
   58    56 S   HC   _H22    48     1.09716   110.54605   -67.31911
   59    51 S   CT   _C26    62     1.58993   114.06154   160.81641
   60    59 S   HC   _H29    63     1.09555   110.27453  -179.42973
   61    59 S   HC   _H30    64     1.09291   112.32372   -63.67621
   62    56 S   CT   _C21    49     1.53235   115.21424   170.18061
   63    62 S   HC   _H23    50     1.09759   107.83513  -162.91494
   64    62 S   HC   _H24    51     1.09633   110.24710    81.67057
   65    59 S   OS   _O38    65     1.43373   111.76961    57.01939
   66    62 S   CM   _C22    52     1.50024   113.85324   -41.24648
   67    65 S   CO4  _C27    66     1.36233   118.67304   134.66464
   68    67 S   O    _O39    67     1.22334   126.29040     3.25095
   69    66 S   CM   _C23    53     1.34211   122.31911    17.06601
   70    69 S   HC   _H25    54     1.08859   118.94396  -179.96574
   71    66 S   CT   _C25    58     1.50048   115.95891  -163.88474
   72    71 S   HC   _H26    59     1.09486   110.29310   -55.32000
   73    71 S   HC   _H27    60     1.09425   112.04608  -175.02106
   74    71 S   HC   _H28    61     1.09470   110.29583    64.62539
   75    67 S   CT   _C28    68     1.52224   109.11384  -174.11520
   76    75 S   HC   _H7_    69     1.09482   106.56980    56.91999
   77    51 S   CT   _C24    55     1.57183   110.08764    43.60158
   78    77 S   HC   _H6_    56     1.09765   108.35421    90.73237
   79    75 S   CT   _C5_    70     1.54482   112.12754   -65.14289
   80    79 S   HC   _H3_    71     1.09715   109.27935    48.40546
   81    75 S   OH   _O40    96     1.42087   109.66350   172.36673
   82    81 S   HO   _H31    97     0.97283   107.58585   -57.77433
   83    79 S   CT   _C6_    72     1.54776   111.64669   168.34969
   84    83 S   HC   _H11    73     1.09757   108.59776   168.20508
   85    83 S   HC   _H12    74     1.09627   110.16343    51.29905
   86    79 S   CT   _C4_    92     1.53619   111.40070   -69.53710
   87    86 S   HC   _H8_    93     1.09503   111.75379   -64.52695
   88    86 S   HC   _H9_    94     1.09557   110.48548   175.62095
   89    86 S   HC   _H10    95     1.09467   111.19309    56.53855
   90    83 S   CT   _C7_    75     1.52960   113.61530   -71.75970
   91    90 S   HC   _H13    76     1.09327   111.75825    56.94747
   92    90 S   HC   _H14    77     1.09598   110.23139   175.32538
   93    90 S   OS   _O33    78     1.43967   109.50037   -61.95468
   94    93 S   CO4  _C8_    79     1.35649   117.37098   -97.75845
   95    94 S   O    _O34    80     1.22340   126.72733    -4.01678
   96    94 S   CM   _C9_    81     1.47950   111.66156   176.32933
   97    96 S   HC   _H15    82     1.08626   115.00961   165.83476
   98    96 S   CM   _C10    83     1.34115   123.80448   -17.18403
   99    98 S   HC   _H16    84     1.08548   120.17853     0.70582
  100    98 S   CM   _C11    85     1.44831   122.29740  -177.47509
  101   100 S   HC   _H17    86     1.08922   115.98477    -0.61485
  102   100 S   CM   _C12    87     1.34096   127.19808   177.18735
  103   102 S   HC   _H18    88     1.08564   119.66241  -175.41379
  104   102 S   CO4  _C13    89     1.47425   125.03160     1.07702
  105   104 S   O    _O35    90     1.22157   122.88673  -124.48835
  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  13   5   4   3
  22   2   1   1  18   8   9   3   2   1  11   6   5  10  14   5
  18   7  20   6   2   1   1  14   7   6  10   4   3  10   4   3
   7   8   9   4   7   3   4   2   1   1  13   6   1   1  14   9
   3   1  11   6   5   4   2   1   1   6   3   2   5   6   3   6
   3   6   3   5   3   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    49    51    46    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    48    49    51    56    77    46    59    50    52    53    54    55    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    48    49    51    69    77    78    46    50    52    39    40    41    42  
   43    44    45    47    49    77    46    39  
   40    41    42    43    46    47    49    51    52  
   41    42    49  
   42    49  
   49  
   44    45    47    48    49    51    77    46   104    50    52  
   45    47    48    49    46    50  
   47    48    49    46    50  
   59    47    49    51    56    66    69    70    77    78  
   48    49    51    56    77    59   102   104   105    50    52    53    54    55  
   49    51   104    50    52  
   51    56    57    58    62    69    77    78    59    60    61    65   104    50    52    53    54    55  
   52    51   100   102   103   104   105  
   56    57    58    62    63    64    66    69    70    77    78    59    60    61    65    67    52    53    54    55  
   53    54    55    56    59    77  
   54    55  
   55  
    0  
   57    58    62    63    64    66    69    77    78    71    59    60    61    65  
   58    62    63    64    66    77    59  
   62    63    64    66    77    59  
   60    61    65    67    68    75    62    69    77    78  
   61    65    67    77  
   65    67    77  
   63    64    66    69    70    77    71    72    73    74  
   64    66    69    71  
   66    69    71  
   67    68    75    76    79    81    77  
   69    70    77    78    71    72    73    74  
   68    75    76    79    80    83    86    81    82  
   75    76    79    81  
   70    77    78    71    72    73    74  
   77    78    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    79    80    83    84    85    90    86    87    88    89    81    82  
   79    80    83    86    81    82  
   78  
    0  
   80    83    84    85    90    91    92    93    86    87    88    89    81    82  
   83    84    85    90    86    87    88    89    81  
   82    83    86  
    0  
   84    85    90    91    92    93    94    86    87    88    89  
   85    90    91    92    93    86  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94    95    96  
   92    93    94  
   93    94  
   94    95    96    97    98  
   95    96    97    98    99   100  
   96    97    98  
   97    98    99   100   101   102  
   98    99   100  
   99   100   101   102   103   104  
  100   101   102  
  101   102   103   104   105  
  102   103   104  
  103   104   105  
  104   105  
  105  
    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   0.167500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   99   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   268.000  1.529
   51    77   268.000  1.529
   51    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    46   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    75   317.000  1.522
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   214.000  1.327
   94    95   570.000  1.229
   94    96   320.000  1.462
   96    97   340.000  1.080
   96    98   549.000  1.340
   98    99   340.000  1.080
   98   100   380.000  1.444
  100   101   340.000  1.080
  100   102   549.000  1.340
  102   103   340.000  1.080
  102   104   320.000  1.462
  104   105   570.000  1.229
  104    50   214.000  1.327
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    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    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    49    47    58.35000  112.70000
   33    49    51    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    46    77    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50   104    83.00000  116.90000
   49    33    37    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    51    77    58.35000  112.70000
   49    51    59    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
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   51    77    69    70.00000  112.02700
   51    77    78    37.50000  110.70000
   51    77    46    50.00000  109.50000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    65    50.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    66    70.00000  112.02700
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    66    69    70.00000  124.00000
   62    66    71    65.00000  117.92700
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    46    85.00000  110.90400
   77    51    56    58.35000  112.70000
   77    69    70    35.00000  117.00000
   46    37    38    35.00000  109.50000
   46    37    43    50.00000  109.50000
   46    77    78    35.00000  109.50000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    51    56    58.35000  112.70000
   59    51    77    58.35000  112.70000
   59    65    67    83.00000  116.90000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    75    81.00000  111.40000
   67    75    76    35.00000  109.50000
   67    75    79    63.00000  111.10000
   67    75    81    90.00000  109.61100
   75    67    68    80.00000  120.40000
   75    79    80    37.50000  110.70000
   75    79    83    58.35000  112.70000
   75    79    86    58.35000  112.70000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    90    58.35000  112.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    89    37.50000  110.70000
   83    79    80    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    50.00000  109.50000
   85    83    84    33.00000  107.80000
   90    83    84    37.50000  110.70000
   90    83    85    37.50000  110.70000
   90    93    94    83.00000  116.90000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    83.00000  123.40000
   93    94    96    90.00000  111.29400
   94    96    97    40.00000  117.72500
   94    96    98    65.00000  118.96000
   96    94    95    80.00000  123.72100
   96    98    99    35.00000  120.00000
   96    98   100    70.00000  123.01800
   98    96    97    35.00000  120.00000
   98   100   101    35.00000  120.00000
   98   100   102    70.00000  123.01800
  100    98    99    35.00000  120.00000
  100   102   103    35.00000  120.00000
  100   102   104    65.00000  118.96000
  102   100   101    35.00000  120.00000
  102   104   105    80.00000  123.72100
  102   104    50    90.00000  111.29400
  104   102   103    40.00000  117.72500
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50   104   105    83.00000  123.40000
   86    79    80    37.50000  110.70000
   86    79    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   52    49    51    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
   39    33    37    58.35000  112.70000
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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
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   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   0.86500  1.0 1.0
   81    75    79    83  -0.17500 -1.0 2.0
   81    75    79    83   0.20800  1.0 3.0
   81    75    79    86   0.86500  1.0 1.0
   81    75    79    86  -0.17500 -1.0 2.0
   81    75    79    86   0.20800  1.0 3.0
   52    49    51    56   0.56750  1.0 1.0
   52    49    51    56  -0.07550 -1.0 2.0
   52    49    51    56   0.20000  1.0 3.0
   52    49    51    77   0.56750  1.0 1.0
   52    49    51    77  -0.07550 -1.0 2.0
   52    49    51    77   0.20000  1.0 3.0
   52    49    51    59   0.56750  1.0 1.0
   52    49    51    59  -0.07550 -1.0 2.0
   52    49    51    59   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    46   0.62750  1.0 1.0
   39    33    37    46  -0.30950 -1.0 2.0
   39    33    37    46   0.27300  1.0 3.0
   39    33    49    47   0.56750  1.0 1.0
   39    33    49    47  -0.07550 -1.0 2.0
   39    33    49    47   0.20000  1.0 3.0
   39    33    49    51   0.56750  1.0 1.0
   39    33    49    51  -0.07550 -1.0 2.0
   39    33    49    51   0.20000  1.0 3.0
   39    33    49    52   0.56750  1.0 1.0
   39    33    49    52  -0.07550 -1.0 2.0
   39    33    49    52   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   62    71    66    69   1.10000 -1.0 2.0
   77    70    69    66   1.10000 -1.0 2.0
   65    75    67    68  10.50000 -1.0 2.0
   93    96    94    95  10.50000 -1.0 2.0
   94    97    96    98   1.10000 -1.0 2.0
  100    99    98    96   1.10000 -1.0 2.0
   98   101   100   102   1.10000 -1.0 2.0
  104   103   102   100   1.10000 -1.0 2.0
  102    50   104   105  10.50000 -1.0 2.0
END
