* LIGAND DATABASE FILE (OPLS2005)
*
001     105   112    209    354     621
    1     0 S   NP   _N1_     1    29.42741    90.37433   -18.23160
    2     1 S   H    _HN1     2     1.02857    18.59809   110.88515
    3     1 S   H    _H1_     3     1.02794    89.81935   -53.57315
    4     1 S   H    _H2_     4     1.02965   118.75623    57.35835
    5     1 S   CT   _CA1     5     1.50274   114.90105  -168.28584
    6     5 S   HC   _HA1     6     1.09562   105.20205    38.67917
    7     5 S   CO3  _C1_     7     1.53898   112.43819   -81.42864
    8     7 S   O2Z  _O11     8     1.26377   115.08067   -38.04353
    9     7 S   O2Z  _O12     9     1.26198   115.08883   141.33556
   10     5 S   CT   _CB1    10     1.53155   107.44636   156.63914
   11    10 S   HC   HB11    11     1.09810   109.42866   -48.40008
   12    10 S   HC   HB12    12     1.09771   110.23776    68.00428
   13    10 S   CT   _CG1    13     1.53216   113.04343  -169.70375
   14    13 S   HC   HG11    14     1.09474   110.21914   -58.01109
   15    13 S   HC   HG12    15     1.09582   110.39553    61.06255
   16    13 S   C    _CD1    16     1.51931   111.49030  -179.19254
   17    16 S   O    _OE1    17     1.22805   122.57752   -28.21894
   18    16 S   N    _N2_    18     1.38595   112.35565   152.44699
   19    18 S   H    _HN2    19     1.01580   119.13197     1.98436
   20    18 S   CT1  _CA2    20     1.46510   123.51789  -175.07777
   21    20 S   HC   _HA2    21     1.09739   109.13637   -20.92041
   22    20 S   C    _C2_    22     1.53353   108.29766  -136.71349
   23    22 S   O    _O2_    23     1.22999   122.33284  -145.96698
   24    20 S   CT   _CB2    32     1.53838   111.42226   101.17900
   25    24 S   HC   HB21    33     1.09443   109.27014    55.35034
   26    24 S   HC   HB22    34     1.09492   110.79562   174.05423
   27    22 S   N    _N3_    24     1.38538   113.25820    41.44125
   28    27 S   H    _HN3    25     1.01535   118.91118    -0.44675
   29    24 S   S    _SG2    35     1.82626   110.99784   -66.56860
   30    27 S   CT   _CA3    26     1.45440   123.37746   175.12042
   31    30 S   HC   HA31    27     1.09529   109.14300    25.98078
   32    30 S   HC   HA32    28     1.09492   107.13843   142.97559
   33    29 S   CT   _C16    36     1.83868   101.24540   161.23828
   34    33 S   HC   _H3_    37     1.09452    99.86175    63.05421
   35    30 S   CO3  _C3_    29     1.52935   113.21359   -97.42889
   36    35 S   O2Z  _O31    30     1.26396   115.46233   -43.10432
   37    35 S   O2Z  _O32    31     1.26364   114.94685   137.85308
   38    33 S   CM   _C17    38     1.52840   109.51652   177.77613
   39    38 S   CT   _C20    39     1.53168   115.14162    88.38301
   40    39 S   HC   _H4_    40     1.10120   107.03006   154.53935
   41    38 S   CMA  _C18    99     1.37038   123.03200   -93.77471
   42    41 S   OM   _O33   100     1.26987   125.44685  -178.22999
   43    39 S   CT   _C34    41     1.54288   112.14472   -91.54925
   44    43 S   HC   _H34    42     1.09339   112.30764    36.73644
   45    43 S   HC   _H35    43     1.09985   107.55545   -77.62768
   46    39 S   CT   _C21    71     1.55077   113.57161    41.87168
   47    46 S   HC   _H5_    72     1.10265   104.63183    70.74734
   48    41 S   OS   _O34   101     1.41873   111.90699     0.71354
   49    43 S   CT   _C33    44     1.52593   114.11669   160.04470
   50    49 S   HC   _H7_    45     1.09375   110.41127   -86.82772
   51    46 S   CT   _C5_    73     1.57694   114.83696   -43.78231
   52    48 S   CT   _C19   102     1.42736   113.94401   137.96234
   53    52 S   HC   _H20   103     1.09402   107.75260  -170.85168
   54    52 S   HC   _H21   104     1.09476   111.02903    71.20112
   55    52 S   HC   _H22   105     1.09543   111.11077   -52.67115
   56    49 S   C5A  _C32    46     1.48760   113.43256   152.09691
   57    51 S   C5A  _C6_    74     1.53882   109.70933   165.17833
   58    51 S   CT   _C4_    95     1.54655   113.30157   -76.02815
   59    58 S   HC   _H8_    96     1.08821   113.19462    53.26317
   60    58 S   HC   _H9_    97     1.09477   112.71618   -66.78439
   61    58 S   HC   _H10    98     1.09707   110.85730   174.82896
   62    56 S   C5B  _C25    47     1.37748   125.55492  -132.51250
   63    56 S   NA   _N7_    58     1.36579   125.82180    51.09545
   64    63 S   H    _H33    59     1.01135   125.56526    -2.85266
   65    57 S   C5B  _C7_    75     1.38085   126.42132  -107.02531
   66    57 S   NA   _N4_    86     1.37312   126.62593    74.83392
   67    66 S   H    _H15    87     1.00970   125.80380     1.53097
   68    62 S   C56B _C26    48     1.42176   107.48368  -176.94283
   69    62 S   CT   _C24    60     1.48864   121.47366     2.78235
   70    69 S   HC   _H27    61     1.09675   108.89322    98.03213
   71    69 S   HC   _H28    62     1.09552   110.53171  -144.11150
   72    65 S   C56B _C8_    76     1.42077   108.53111   179.68847
   73    65 S   CT   _C14    88     1.47821   121.47096    -1.67140
   74    73 S   HC   _H16    89     1.09567   110.77225   139.09438
   75    73 S   HC   _H17    90     1.09703   108.97518  -102.72461
   76    68 S   CA   _C27    49     1.40920   134.43225   179.83449
   77    76 S   HA   _H29    50     1.08626   120.77782     0.40686
   78    69 S   CT   _C23    63     1.53786   111.00828   -22.70805
   79    78 S   HC   _H25    64     1.09486   110.58836   168.72736
   80    78 S   HC   _H26    65     1.09563   111.74261   -68.95738
   81    72 S   CA   _C9_    77     1.40927   134.56649  -179.66662
   82    81 S   HA   _H11    78     1.08615   120.75736     0.45024
   83    73 S   CT   _C15    91     1.53474   110.24476    17.64111
   84    83 S   HC   _H18    92     1.09735   109.82270    76.69735
   85    83 S   HC   _H19    93     1.09768   106.16285  -168.56882
   86    76 S   CA   _C28    51     1.39952   119.28935  -179.54458
   87    86 S   HA   _H30    52     1.08700   119.51881  -179.96574
   88    49 S   NP   _N6_    66     1.52642   107.92671    28.39101
   89    88 S   H    _H6_    67     1.02946   107.95441    47.31893
   90    81 S   CA   _C10    79     1.39951   119.24631  -179.59895
   91    90 S   HA   _H12    80     1.08686   119.53713  -179.88809
   92    33 S   NT   _N5_    94     1.48217   116.32384   -50.47475
   93    86 S   CA   _C29    53     1.39321   120.77812     0.02798
   94    93 S   HA   _H31    54     1.08726   119.53882  -179.90721
   95    88 S   CT   _C22    68     1.51028   109.95677   -70.59436
   96    95 S   HC   _H23    69     1.09025   105.86150   -72.34902
   97    95 S   HC   _H24    70     1.09616   106.22832   172.74380
   98    90 S   CA   _C11    81     1.39323   120.73588     0.23407
   99    98 S   HA   _H13    82     1.08714   119.57170   179.86012
  100    93 S   CA   _C30    55     1.39764   121.04592    -0.01978
  101   100 S   HA   _H32    56     1.08503   120.89939  -179.82196
  102    98 S   CA   _C12    83     1.39778   121.02247     0.04846
  103   102 S   HA   _H14    84     1.08494   120.93164   179.66023
  104    68 S   C56A _C31    57     1.39953   106.89782     0.22642
  105    72 S   C56A _C13    85     1.39498   106.67742     1.01568
  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   8   5   4   3
  17   6   2   1   1  16  20   9   9   2  14   6   5  18   8   4
  16   7  19   3   2   1   1  14  17   8   3   2   1  15   9   3
  15   9   3  12  10   5   4  12   8   5   4   7   4   7   4   3
   7   4   3   2   1   6   3   4   3   6   3   1   4   3   2   1
   1   4   3   2   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    51    83    92    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    51    57    73    83    84    85    92    58    41    42    48  
   38    39    51    83    92    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    95    46    47    51    83    92    41    42    48    52  
   40    43    44    45    49    50    56    88    95    96    97    46    47    51    57    92    58    41    42    48  
   43    44    45    49    95    46    47    51    41  
   42    48    52    53    54    55    43    46    92  
   48    52  
   44    45    49    50    56    62    63    78    88    89    95    46    47    51  
   45    49    50    56    88    46  
   49    50    56    88    46  
   47    51    57    65    66    83    92    58    59    60    61    49    78    88    89    95    96    97  
   51    57    92    58    88    95    96    97  
   52    53    54    55  
   50    56    62    68   104    63    64    69    78    79    80    88    89    95    96    97  
   56    62    63    78    88    89    95  
   57    65    72   105    66    67    73    83    84    85    92    58    59    60    61    88    95    96    97  
   53    54    55  
   54    55  
   55  
    0  
   62    68    76   100   104    63    64    69    70    71    78    88    89    95  
   65    72    81   102   105    66    67    73    74    75    83    92    58    59    60    61    95  
   59    60    61    65    66    83    92    95  
   60    61    92  
   61    92  
   92  
   68    76    77    86   100   104    63    64    69    70    71    78    79    80    88  
   64    69    88    68    76    93   100   101   104  
   68   100   104  
   72    81    82    90   102   105    66    67    73    74    75    83    84    85    92  
   67    73    92    72    81    98   102   103   105  
   72   102   105  
   76    77    86    87    93   100   101   104    69    70    71    78  
   70    71    78    79    80    88    89    95    76   104  
   71    78    79    80    88  
   78    79    80    88  
   81    82    90    91    98   102   103   105    73    74    75    83  
   74    75    83    84    85    92    81   105  
   75    83    84    85    92  
   83    84    85    92  
   77    86    87    93    94   100   104  
   86    87    93   104  
   79    80    88    89    95    96    97  
   80    88    89    95  
   88    89    95  
   82    90    91    98    99   102   105  
   90    91    98   105  
   84    85    92  
   85    92  
   92  
   87    93    94   100   101   104  
   93    94   100  
   89    95    96    97  
   95    96    97  
   91    98    99   102   103   105  
   98    99   102  
   95  
   94   100   101   104  
  100   101   104  
   96    97  
   97  
    0  
   99   102   103   105  
  102   103   105  
  101   104  
  104  
  103   105  
  105  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   64   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   67   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.064100   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   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   78   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   88   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   89   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   92   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   93   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  102   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  104   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
  105   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    92   382.000  1.448
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    56   295.000  1.489
   49    88   367.000  1.471
   56    62   520.000  1.370
   56    63   427.000  1.381
   62    68   380.000  1.440
   62    69   295.000  1.494
   68    76   469.000  1.404
   68   104   447.000  1.419
   76    77   367.000  1.080
   76    86   469.000  1.400
   86    87   367.000  1.080
   86    93   469.000  1.400
   93    94   367.000  1.080
   93   100   469.000  1.400
  100   101   367.000  1.080
  100   104   469.000  1.400
  104    63   428.000  1.380
   63    64   434.000  1.010
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    88   367.000  1.471
   88    89   434.000  1.010
   88    95   367.000  1.471
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    46   268.000  1.529
   46    47   340.000  1.090
   46    51   268.000  1.529
   51    57   295.000  1.489
   51    92   382.000  1.448
   51    58   268.000  1.529
   57    65   520.000  1.370
   57    66   427.000  1.381
   65    72   380.000  1.440
   65    73   295.000  1.494
   72    81   469.000  1.404
   72   105   447.000  1.419
   81    82   367.000  1.080
   81    90   469.000  1.400
   90    91   367.000  1.080
   90    98   469.000  1.400
   98    99   367.000  1.080
   98   102   469.000  1.400
  102   103   367.000  1.080
  102   105   469.000  1.400
  105    66   428.000  1.380
   66    67   434.000  1.010
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    92    85.00000  109.00000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    92    51    51.80000  107.20000
   33    92    83    51.80000  107.20000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    46    95    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    56    70.00000  113.44400
   43    49    88    80.00000  111.20000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    56    62    55.00000  130.44200
   49    56    63    65.00000  122.56900
   49    88    78    75.00000  113.01200
   49    88    89    35.00000  109.50000
   49    88    95    75.00000  113.01200
   56    49    50    45.00000  110.47400
   56    62    68    80.00000  105.82900
   56    62    69    55.00000  127.77900
   56    63   104    90.00000  107.14200
   56    63    64    35.00000  120.00000
   62    68    76    50.00000  134.85500
   62    68   104    80.00000  107.43600
   62    69    70    45.00000  111.11700
   62    69    71    45.00000  111.11700
   62    69    78    70.00000  112.62400
   68    76    77    35.00000  120.00000
   68    76    86    63.00000  120.00000
   68   104   100    85.00000  122.70000
   68   104    63    70.00000  104.40000
   76    86    87    35.00000  120.00000
   76    86    93    63.00000  120.00000
   86    76    77    35.00000  120.00000
   86    93    94    35.00000  120.00000
   86    93   100    63.00000  120.00000
   93    86    87    35.00000  120.00000
   93   100   101    35.00000  120.00000
   93   100   104    85.00000  120.00000
  100    93    94    35.00000  120.00000
  100   104    63    70.00000  132.80000
  104    68    76    85.00000  116.20000
  104   100   101    35.00000  120.00000
  104    63    64    35.00000  123.10000
   63    56    62    70.00000  106.30000
   69    62    68    55.00000  128.73000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    88    80.00000  111.20000
   71    69    70    33.00000  107.80000
   78    69    70    37.50000  110.70000
   78    69    71    37.50000  110.70000
   78    88    89    35.00000  109.50000
   78    88    95    75.00000  113.01200
   80    78    79    33.00000  107.80000
   88    49    50    35.00000  109.50000
   88    49    56    75.00000  111.64000
   88    78    79    35.00000  109.50000
   88    78    80    35.00000  109.50000
   88    95    96    35.00000  109.50000
   88    95    97    35.00000  109.50000
   88    95    46    80.00000  111.20000
   95    88    89    35.00000  109.50000
   95    46    47    37.50000  110.70000
   95    46    51    58.35000  112.70000
   97    95    96    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    95    96    37.50000  110.70000
   46    95    97    37.50000  110.70000
   46    51    57    70.00000  113.44400
   46    51    92    56.20000  109.47000
   46    51    58    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    57    65    55.00000  130.44200
   51    57    66    65.00000  122.56900
   51    92    83    51.80000  107.20000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   57    65    72    80.00000  105.82900
   57    65    73    55.00000  127.77900
   57    66   105    90.00000  107.14200
   57    66    67    35.00000  120.00000
   65    72    81    50.00000  134.85500
   65    72   105    80.00000  107.43600
   65    73    74    45.00000  111.11700
   65    73    75    45.00000  111.11700
   65    73    83    70.00000  112.62400
   72    81    82    35.00000  120.00000
   72    81    90    63.00000  120.00000
   72   105   102    85.00000  122.70000
   72   105    66    70.00000  104.40000
   81    90    91    35.00000  120.00000
   81    90    98    63.00000  120.00000
   90    81    82    35.00000  120.00000
   90    98    99    35.00000  120.00000
   90    98   102    63.00000  120.00000
   98    90    91    35.00000  120.00000
   98   102   103    35.00000  120.00000
   98   102   105    85.00000  120.00000
  102    98    99    35.00000  120.00000
  102   105    66    70.00000  132.80000
  105    72    81    85.00000  116.20000
  105   102   103    35.00000  120.00000
  105    66    67    35.00000  123.10000
   66    57    65    70.00000  106.30000
   73    65    72    55.00000  128.73000
   73    83    84    37.50000  110.70000
   73    83    85    37.50000  110.70000
   73    83    92    56.20000  109.47000
   75    73    74    33.00000  107.80000
   83    73    74    37.50000  110.70000
   83    73    75    37.50000  110.70000
   85    83    84    33.00000  107.80000
   92    33    34    35.00000  109.50000
   92    33    38    75.00000  110.70900
   92    51    57    75.00000  112.58000
   92    83    84    35.00000  109.50000
   92    83    85    35.00000  109.50000
   58    51    57    70.00000  113.44400
   58    51    92    56.20000  109.47000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    48    52    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
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   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
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   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
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   29    33    38    39   0.30250  1.0 1.0
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   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
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   39    46    51    57  -0.47300  1.0 3.0
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   43    39    46    47   0.15000  1.0 3.0
   43    39    46    51   0.56750  1.0 1.0
   43    39    46    51  -0.07550 -1.0 2.0
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   71    69    78    80   0.15000  1.0 3.0
   71    69    78    88   0.19200  1.0 3.0
   78    88    95    96   0.15000  1.0 3.0
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   46    39    43    44   0.15000  1.0 3.0
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   46    39   -43    49   0.56750  1.0 1.0
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   46    51    57    65   0.04150 -1.0 2.0
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   57    51    92    83  -0.32100 -1.0 2.0
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   57    51    58    60   0.43200  1.0 3.0
   57    51    58    61   0.43200  1.0 3.0
   57    65    72    81   3.62500 -1.0 2.0
   57    65   -72   105   3.50000 -1.0 2.0
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   57    65    73    75   0.00000  1.0 1.0
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   65    73    83    92   0.83750  1.0 1.0
   65    73    83    92   0.32200 -1.0 2.0
   65    73    83    92   0.70600  1.0 3.0
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   72    65    73    83   0.04150 -1.0 2.0
   72    81    90    91   3.62500 -1.0 2.0
   72    81    90    98   3.62500 -1.0 2.0
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   81    90    98    99   3.62500 -1.0 2.0
   81    90   -98   102   3.62500 -1.0 2.0
   82    81    90    91   3.62500 -1.0 2.0
   82    81    90    98   3.62500 -1.0 2.0
   90    98   102   103   3.62500 -1.0 2.0
   90    98   102   105   3.62500 -1.0 2.0
   91    90    98    99   3.62500 -1.0 2.0
   91    90    98   102   3.62500 -1.0 2.0
   98   102  -105    72   3.62500 -1.0 2.0
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   99    98   102   103   3.62500 -1.0 2.0
   99    98   102   105   3.62500 -1.0 2.0
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  105    72    81    82   3.50000 -1.0 2.0
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   66    57   -65    72   3.62500 -1.0 2.0
   66    57    65    73   3.62500 -1.0 2.0
   73    65    72    81   3.62500 -1.0 2.0
   73    65    72   105   3.62500 -1.0 2.0
   73    83    92    33   0.23450  1.0 1.0
   73    83    92    33   0.02050 -1.0 2.0
   73    83    92    33   0.25250  1.0 3.0
   73    83   -92    51   0.23450  1.0 1.0
   73    83   -92    51   0.02050 -1.0 2.0
   73    83   -92    51   0.25250  1.0 3.0
   74    73    83    84   0.15000  1.0 3.0
   74    73    83    85   0.15000  1.0 3.0
   74    73    83    92   0.15000  1.0 3.0
   75    73    83    84   0.15000  1.0 3.0
   75    73    83    85   0.15000  1.0 3.0
   75    73    83    92   0.15000  1.0 3.0
   84    83    92    33   0.28000  1.0 3.0
   84    83    92    51   0.28000  1.0 3.0
   85    83    92    33   0.28000  1.0 3.0
   85    83    92    51   0.28000  1.0 3.0
   92    33   -38    39   0.52100  1.0 1.0
   92    33   -38    39  -0.20350 -1.0 2.0
   92    33   -38    39   0.29750  1.0 3.0
   92    33    38    41   0.90200  1.0 1.0
   92    33    38    41   0.57900 -1.0 2.0
   92    33    38    41  -0.62100  1.0 3.0
   92    51   -57    65   0.18550 -1.0 2.0
   92    51   -57    65   0.14000  1.0 3.0
   92    51    57    66   0.04300 -1.0 2.0
   92    51    58    59   0.15000  1.0 3.0
   92    51    58    60   0.15000  1.0 3.0
   92    51    58    61   0.15000  1.0 3.0
   58    51    57    65   0.04150 -1.0 2.0
   58    51    57    66   0.39850  1.0 1.0
   58    51    57    66   0.06450 -1.0 2.0
   58    51    57    66   0.32400  1.0 3.0
   58    51    92    33   0.23450  1.0 1.0
   58    51    92    33   0.02050 -1.0 2.0
   58    51    92    33   0.25250  1.0 3.0
   58    51    92    83   0.23450  1.0 1.0
   58    51    92    83   0.02050 -1.0 2.0
   58    51    92    83   0.25250  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    52    53   0.08050  1.0 3.0
   41    48    52    54   0.08050  1.0 3.0
   41    48    52    55   0.08050  1.0 3.0
   42    41    48    52   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   62    63    56    49   4.00000 -1.0 2.0
   68    69    62    56   4.00000 -1.0 2.0
   76   104    68    62   4.00000 -1.0 2.0
   86    77    76    68   1.10000 -1.0 2.0
   93    87    86    76   1.10000 -1.0 2.0
  100    94    93    86   1.10000 -1.0 2.0
  104   101   100    93   1.10000 -1.0 2.0
  100    63   104    68   4.00000 -1.0 2.0
   64    56    63   104   1.00000 -1.0 2.0
   65    66    57    51   4.00000 -1.0 2.0
   72    73    65    57   4.00000 -1.0 2.0
   81   105    72    65   4.00000 -1.0 2.0
   90    82    81    72   1.10000 -1.0 2.0
   98    91    90    81   1.10000 -1.0 2.0
  102    99    98    90   1.10000 -1.0 2.0
  105   103   102    98   1.10000 -1.0 2.0
  102    66   105    72   4.00000 -1.0 2.0
   67    57    66   105   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
