* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    203    339     619
    1     0 S   NP   _N1_     1    29.56565    90.50130   -25.93798
    2     1 S   H    _HN1     2     1.02785   124.33396   -83.70239
    3     1 S   H    _H1_     3     1.02950    92.58950    30.66602
    4     1 S   H    _H2_     4     1.02829    18.34038  -112.28105
    5     1 S   CT   _CA1     5     1.50111   106.98347   142.92214
    6     5 S   HC   _HA1     6     1.09571   105.21037    78.22610
    7     5 S   CO3  _C1_     7     1.53794   112.43390   -42.04884
    8     7 S   O2Z  _O11     8     1.26375   115.00837   -42.99433
    9     7 S   O2Z  _O12     9     1.26237   114.94603   136.14208
   10     5 S   CT   _CB1    10     1.53072   107.42238  -163.76490
   11    10 S   HC   HB11    11     1.09832   109.41510   -49.52328
   12    10 S   HC   HB12    12     1.09816   110.42773    67.08786
   13    10 S   CT   _CG1    13     1.52994   112.60200  -170.49589
   14    13 S   HC   HG11    14     1.09583   110.61729   -64.77209
   15    13 S   HC   HG12    15     1.09666   109.82200    54.47873
   16    13 S   C    _CD1    16     1.51788   112.20348   174.95702
   17    16 S   O    _OE1    17     1.22726   123.21190     5.99986
   18    16 S   N    _N2_    18     1.38645   111.64412  -174.24991
   19    18 S   H    _HN2    19     1.01567   119.03480     1.29392
   20    18 S   CT1  _CA2    20     1.46225   123.33575   178.31495
   21    20 S   HC   _HA2    21     1.09650   109.09955    -2.67840
   22    20 S   C    _C2_    22     1.53454   108.32704  -117.90594
   23    22 S   O    _O2_    23     1.23035   122.45505  -146.71200
   24    20 S   CT   _CB2    32     1.53404   111.71201   119.56716
   25    24 S   HC   HB21    33     1.09633   109.91137    56.63352
   26    24 S   HC   HB22    34     1.09385   110.75828   174.20742
   27    22 S   N    _N3_    24     1.38392   113.50561    40.54133
   28    27 S   H    _HN3    25     1.01609   119.47418    -2.93412
   29    24 S   S    _SG2    35     1.83369   111.83626   -61.99310
   30    27 S   CT   _CA3    26     1.45269   123.17938   177.15579
   31    30 S   HC   HA31    27     1.09548   107.46423   -65.83335
   32    30 S   HC   HA32    28     1.09558   108.02896    50.59348
   33    29 S   CT   _C13    36     1.96849   102.28947  -116.48490
   34    30 S   CO3  _C3_    29     1.52945   114.12871   172.66126
   35    34 S   O2Z  _O31    30     1.26369   116.09597     0.07913
   36    34 S   O2Z  _O32    31     1.26437   114.40396  -179.84805
   37    33 S   CT   _C12    37     1.57974   102.74724   -68.02535
   38    37 S   HC   _H6_    38     1.09276   106.59483    19.15793
   39    33 S   CT   _C14    81     1.57883   104.66573    63.17921
   40    39 S   OM   _O35    82     1.32226   112.25366  -167.67510
   41    39 S   HC   _H7_    83     1.09456   109.52819   -37.05488
   42    37 S   CT   _C15    39     1.53147   117.65851   133.68946
   43    42 S   HC   _H16    40     1.09521   111.09071    68.99119
   44    42 S   HC   _H17    41     1.09557   110.32889   -50.76990
   45    37 S   CT   _C11    58     1.56780   113.87205   -96.69091
   46    45 S   HC   _H5_    59     1.09348   107.95831   -79.25151
   47    42 S   CT   _C16    42     1.53190   110.48811  -169.18069
   48    47 S   HC   _H18    43     1.09593   108.46241    66.30515
   49    47 S   HC   _H19    44     1.09779   107.59179  -178.80204
   50    45 S   CT   _C10    60     1.54091   111.33045    35.94953
   51    50 S   HC   _H14    61     1.09482   110.91531  -178.37731
   52    50 S   HC   _H15    62     1.09592   109.58447    65.56946
   53    47 S   CT   _C17    45     1.54474   113.41804   -57.19135
   54    50 S   CT   _C9_    63     1.54328   114.40059   -57.10144
   55    54 S   HC   _H12    64     1.09727   107.76465   142.46025
   56    54 S   HC   _H13    65     1.09765   108.62796  -105.31768
   57    53 S   CT   _C22    46     1.54367   109.66550   178.31681
   58    57 S   HC   _H24    47     1.09813   110.42526   162.09554
   59    57 S   HC   _H25    48     1.09897   110.08739    48.95303
   60    33 S   CT   _C8_    66     1.58655   108.30592   172.80184
   61    53 S   OH   _O37   101     1.43761   106.76284   -66.21015
   62    61 S   HO   _H30   102     0.97235   108.14748   -57.75296
   63    57 S   CT   _C21    49     1.52661   113.58528   -74.12068
   64    63 S   HC   _H8_    50     1.09543   110.40820    69.20525
   65    60 S   CT   _C7_    67     1.57589   102.52458   -66.44540
   66    65 S   HC   _H4_    68     1.10075   106.34294    76.70522
   67    60 S   CT   _C24    91     1.56437   114.29850   177.12261
   68    67 S   HC   _H31    92     1.09355   112.76117    79.84456
   69    67 S   HC   _H32    93     1.08868   114.09909   -40.30567
   70    67 S   HC   _H33    94     1.09632   111.28274  -161.67772
   71    63 S   CT   _C20    51     1.52396   111.82522   -52.90196
   72    71 S   HC   _H22    52     1.09691   110.11727   -69.82352
   73    71 S   HC   _H23    53     1.09737   109.31428   175.38056
   74    65 S   CM   _C25    69     1.52293   116.99107  -168.31202
   75    65 S   CT   _C6_    79     1.57979   104.70808   -31.55391
   76    75 S   HC   _H3_    80     1.10097   105.11636   122.80586
   77    63 S   OH   _O36    99     1.42511   109.45197  -173.05347
   78    77 S   HO   _H26   100     0.97244   107.54746   -58.56663
   79    71 S   CT   _C19    54     1.52870   112.03702    53.72956
   80    79 S   HC   _H20    55     1.09416   107.43275    68.05664
   81    79 S   HC   _H21    56     1.09652   108.33932  -177.80510
   82    74 S   CM   _C26    70     1.44827   117.19111   -89.27478
   83    82 S   HC   _H34    71     1.08533   118.96021     0.51434
   84    75 S   OS   _O34    84     1.43495   114.10007  -120.65631
   85    53 S   CT   _C18    57     1.57589   112.65596    52.77639
   86    82 S   CM   _C27    72     1.33620   121.63798  -179.53145
   87    86 S   HC   _H35    73     1.08342   121.53018  -179.98022
   88    84 S   CO4  _C5_    85     1.36292   117.22561  -156.91120
   89    88 S   O    _O33    86     1.22342   126.78331     1.70226
   90    86 S   CO4  _C28    74     1.47405   120.59668     0.06561
   91    90 S   O    _O38    75     1.22657   120.63726   180.00000
   92    88 S   CT   _C4_    87     1.49859   109.26482  -178.61945
   93    92 S   HC   _H9_    88     1.09292   109.81738   -61.50223
   94    92 S   HC   _H10    89     1.09376   109.37479   179.39123
   95    92 S   HC   _H11    90     1.09295   109.82698    60.37995
   96    85 S   CT   _C23    95     1.55842   109.59673  -167.55286
   97    96 S   HC   _H27    96     1.09569   111.50100    70.38650
   98    96 S   HC   _H28    97     1.09337   112.60459   -49.95712
   99    96 S   HC   _H29    98     1.09509   111.53018  -169.33938
  100    90 S   OS   _O39    76     1.36736   117.07746    -0.04846
  101    74 S   CM   _C29    77     1.33989   126.57971    91.43560
  102   101 S   HC   _H36    78     1.07990   126.42919    -1.78224
  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
  27   2   1   1  24  10  14   6   5  13   6   5  21   8  12   5
   4  12   6   5  17  12   4   3  14   7   6  12   5   1  10   6
  16   7   5   2   1   1   9   6   5  11   7   2   2   1   7   3
   2   8   4   6   4   5   3   5   4   4   2   3   2   1   1   3
   2   1   1   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    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    54    60    65    75    39    40    41    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    85    45    46    50    54    55    56    60    65    66    74    75    76    39    40    41    84    67    68    69    70  
   35    36  
   36  
    0  
   38    42    43    44    47    48    49    53    79    85    45    46    50    51    52    54    60    65    75    39    40    41    67    96  
   42    43    44    47    85    45    46    50    60    39  
   40    41    84    88    67    42    45    54    60    65    66    74    75    76  
   41    84    60    65    75    76  
   84    60    65    75    76  
   43    44    47    48    49    53    57    85    45    46    50    60    61  
   44    47    48    49    53    45  
   47    48    49    53    45  
   46    50    51    52    54    55    56    60    96    97    98    99    61    47    53    57    71    79    80    81    85  
   50    51    52    54    96    53    79    85  
   48    49    53    57    58    59    63    79    85    96    61    62  
   49    53    57    85    61  
   53    57    85    61  
   51    52    54    55    56    60    65    67    96    53    79    85  
   52    54    55    56    60    85  
   54    55    56    60    85  
   57    58    59    63    64    71    79    80    81    85    96    97    98    99    77    61    62  
   55    56    60    65    66    74    75    67    68    69    70    85  
   56    60    65    67  
   60    65    67  
   58    59    63    64    71    72    73    79    85    96    77    78    61    62  
   59    63    64    71    85    77    61  
   63    64    71    85    77    61  
   65    66    74    82   101    75    76    84    67    68    69    70  
   62    63    79    85    96  
   85  
   64    71    72    73    79    80    81    85    77    78  
   71    72    73    79    77    78  
   66    74    82    83    86   100   101   102    75    76    84    88    67    68    69    70  
   74    82   101    75    76    84    67  
   68    69    70    74    75  
   69    70  
   70  
    0  
   72    73    79    80    81    85    96    77    78  
   73    79    80    81    85    77  
   79    80    81    85    77  
   82    83    86    87    90   100   101   102    75    76    84  
   76    84    88    89    92    82   101  
   84    88  
   78    79  
    0  
   80    81    85    96    97    98    99  
   81    85    96  
   85    96  
   83    86    87    90    91   100   101   102  
   86    87    90   101  
   88    89    92    93    94    95  
   96    97    98    99  
   87    90    91   100   101  
   90    91   100  
   89    92    93    94    95  
   92    93    94    95  
   91   100   101   102  
  100   101  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99  
   98    99  
   99  
    0  
  101   102  
  102  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   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   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
  101   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   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    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    60   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    57   268.000  1.529
   53    85   268.000  1.529
   53    61   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    77   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    45   268.000  1.529
   85    96   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    65   268.000  1.529
   60    67   268.000  1.529
   65    66   340.000  1.090
   65    74   317.000  1.510
   65    75   268.000  1.529
   74    82   380.000  1.444
   74   101   549.000  1.340
   82    83   340.000  1.080
   82    86   549.000  1.340
   86    87   340.000  1.080
   86    90   320.000  1.462
   90    91   570.000  1.229
   90   100   214.000  1.327
  100   101   440.000  1.360
  101   102   340.000  1.080
   75    76   340.000  1.090
   75    39   268.000  1.529
   75    84   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   84    88   214.000  1.327
   88    89   570.000  1.229
   88    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   77    78   553.000  0.945
   61    62   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    60    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    60    54    58.35000  112.70000
   33    60    65    58.35000  112.70000
   33    60    67    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    45    85    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    50    58.35000  112.70000
   42    37    38    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    85    58.35000  112.70000
   47    53    61    50.00000  109.50000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    63    58.35000  112.70000
   53    85    79    58.35000  112.70000
   53    85    45    58.35000  112.70000
   53    85    96    58.35000  112.70000
   53    61    62    55.00000  108.50000
   57    63    64    37.50000  110.70000
   57    63    71    58.35000  112.70000
   57    63    77    50.00000  109.50000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    79    58.35000  112.70000
   63    77    78    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   79    85    45    58.35000  112.70000
   79    85    96    58.35000  112.70000
   81    79    80    33.00000  107.80000
   85    53    57    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    45    46    37.50000  110.70000
   85    45    50    58.35000  112.70000
   85    96    97    37.50000  110.70000
   85    96    98    37.50000  110.70000
   85    96    99    37.50000  110.70000
   45    37    38    37.50000  110.70000
   45    37    42    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    54    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    60    65    58.35000  112.70000
   54    60    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    33    37    58.35000  112.70000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    74    70.00000  112.02700
   60    65    75    58.35000  112.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   65    74    82    70.00000  124.00000
   65    74   101    70.00000  124.00000
   65    75    76    37.50000  110.70000
   65    75    39    58.35000  112.70000
   65    75    84    50.00000  109.50000
   74    65    66    35.00000  109.50000
   74    82    83    35.00000  120.00000
   74    82    86    70.00000  123.01800
   74   101   100    80.00000  120.01400
   74   101   102    35.00000  120.00000
   82    86    87    35.00000  120.00000
   82    86    90    65.00000  118.96000
   86    82    83    35.00000  120.00000
   86    90    91    80.00000  123.72100
   86    90   100    90.00000  111.29400
   90    86    87    40.00000  117.72500
   90   100   101    90.00000  114.22900
  100    90    91    83.00000  123.40000
  100   101   102    55.00000  109.52600
  101    74    82    70.00000  123.01800
   75    65    66    37.50000  110.70000
   75    65    74    70.00000  112.02700
   75    39    40    50.00000  109.50000
   75    39    41    37.50000  110.70000
   75    84    88    83.00000  116.90000
   39    33    37    58.35000  112.70000
   39    33    60    58.35000  112.70000
   39    75    76    37.50000  110.70000
   41    39    40    45.00000  125.66300
   84    75    76    35.00000  109.50000
   84    75    39    50.00000  109.50000
   84    88    89    83.00000  123.40000
   84    88    92    81.00000  111.40000
   88    92    93    35.00000  109.50000
   88    92    94    35.00000  109.50000
   88    92    95    35.00000  109.50000
   92    88    89    80.00000  120.40000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   67    60    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   96    85    45    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   77    63    64    35.00000  109.50000
   77    63    71    50.00000  109.50000
   61    53    57    50.00000  109.50000
   61    53    85    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
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
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   90   100  -101    74   2.17750 -1.0 2.0
   90   100  -101    74  -0.40250  1.0 3.0
   90   100   101   102   0.50000 -1.0 2.0
   91    90   100   101   3.00000 -1.0 2.0
  101    74    82    83  -0.18600  1.0 3.0
  101    74   -82    86   0.28850  1.0 1.0
  101    74   -82    86   2.61350 -1.0 2.0
  101    74   -82    86   0.78400  1.0 3.0
   75    65    74    82   0.98200  1.0 1.0
   75    65    74    82  -0.11900 -1.0 2.0
   75    65    74    82   0.24250  1.0 3.0
   75    65    74   101   0.09850  1.0 1.0
   75    65    74   101   0.15250 -1.0 2.0
   75    65    74   101  -0.50650  1.0 3.0
   75    84    88    89   3.00000 -1.0 2.0
   75    84    88    92   1.63150  1.0 1.0
   75    84    88    92   2.92000 -1.0 2.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.23400  1.0 3.0
   76    75    39    41   0.15000  1.0 3.0
   76    75    84    88   0.08050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    60    54   0.56750  1.0 1.0
   39    33    60    54  -0.07550 -1.0 2.0
   39    33    60    54   0.20000  1.0 3.0
   39    33   -60    65   0.56750  1.0 1.0
   39    33   -60    65  -0.07550 -1.0 2.0
   39    33   -60    65   0.20000  1.0 3.0
   39    33    60    67   0.56750  1.0 1.0
   39    33    60    67  -0.07550 -1.0 2.0
   39    33    60    67   0.20000  1.0 3.0
   39    75    84    88  -0.25900  1.0 1.0
   39    75    84    88  -0.47000 -1.0 2.0
   39    75    84    88   0.11750  1.0 3.0
   84    75    39    33   0.62750  1.0 1.0
   84    75    39    33  -0.30950 -1.0 2.0
   84    75    39    33   0.27300  1.0 3.0
   84    75    39    40   1.11900  1.0 1.0
   84    75    39    40  -1.16350 -1.0 2.0
   84    75    39    40  -0.34150  1.0 3.0
   84    75    39    41   0.23400  1.0 3.0
   84    88    92    93   0.00000  1.0 1.0
   84    88    92    94   0.00000  1.0 1.0
   84    88    92    95   0.00000  1.0 1.0
   89    88    92    93   0.00000  1.0 1.0
   89    88    92    94   0.00000  1.0 1.0
   89    88    92    95   0.00000  1.0 1.0
   67    60    65    66   0.15000  1.0 3.0
   67    60    65    74   0.34400  1.0 1.0
   67    60    65    74   0.09450 -1.0 2.0
   67    60    65    74   0.11100  1.0 3.0
   67    60    65    75   0.56750  1.0 1.0
   67    60    65    75  -0.07550 -1.0 2.0
   67    60    65    75   0.20000  1.0 3.0
   96    85    45    37   0.56750  1.0 1.0
   96    85    45    37  -0.07550 -1.0 2.0
   96    85    45    37   0.20000  1.0 3.0
   96    85    45    46   0.15000  1.0 3.0
   96    85    45    50   0.56750  1.0 1.0
   96    85    45    50  -0.07550 -1.0 2.0
   96    85    45    50   0.20000  1.0 3.0
   77    63    71    72   0.23400  1.0 3.0
   77    63    71    73   0.23400  1.0 3.0
   77    63    71    79   0.86500  1.0 1.0
   77    63    71    79  -0.17500 -1.0 2.0
   77    63    71    79   0.20800  1.0 3.0
   61    53    57    58   0.23400  1.0 3.0
   61    53    57    59   0.23400  1.0 3.0
   61    53    57    63   0.86500  1.0 1.0
   61    53    57    63  -0.17500 -1.0 2.0
   61    53    57    63   0.20800  1.0 3.0
   61    53    85    79   0.86500  1.0 1.0
   61    53    85    79  -0.17500 -1.0 2.0
   61    53    85    79   0.20800  1.0 3.0
   61    53    85    45   0.86500  1.0 1.0
   61    53    85    45  -0.17500 -1.0 2.0
   61    53    85    45   0.20800  1.0 3.0
   61    53    85    96   0.86500  1.0 1.0
   61    53    85    96  -0.17500 -1.0 2.0
   61    53    85    96   0.20800  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
   65    82    74   101   1.10000 -1.0 2.0
   74    83    82    86   1.10000 -1.0 2.0
   90    87    86    82   1.10000 -1.0 2.0
   86   100    90    91  10.50000 -1.0 2.0
  100   102   101    74   1.10000 -1.0 2.0
   84    92    88    89  10.50000 -1.0 2.0
END
