* LIGAND DATABASE FILE (OPLS2005)
*
001     105   111    217    376     664
    1     0 S   NP   _N1_     1    28.80045    94.47321   -20.13918
    2     1 S   H    _HN1     2     1.02777    83.47072   -77.24657
    3     1 S   H    _H1_     3     1.02962    95.06050    30.67393
    4     1 S   H    _H2_     4     1.02837    32.91918   144.51881
    5     1 S   CT   _CA1     5     1.50122   142.47527   164.27251
    6     5 S   HC   _HA1     6     1.09568   105.26366    47.85525
    7     5 S   CO3  _C1_     7     1.53830   112.34615   -72.45005
    8     7 S   O2Z  _O11     8     1.26365   115.00220   -43.35438
    9     7 S   O2Z  _O12     9     1.26236   114.93405   135.82411
   10     5 S   CT   _CB1    10     1.53084   107.42823   165.86915
   11    10 S   HC   HB11    11     1.09819   109.47758   -49.65998
   12    10 S   HC   HB12    12     1.09831   110.33440    66.92871
   13    10 S   CT   _CG1    13     1.53010   112.67144  -170.76828
   14    13 S   HC   HG11    14     1.09578   110.33778   -60.45825
   15    13 S   HC   HG12    15     1.09625   110.16197    58.75868
   16    13 S   C    _CD1    16     1.51797   112.14733   179.06581
   17    16 S   O    _OE1    17     1.22728   123.19044    -9.88481
   18    16 S   N    _N2_    18     1.38604   111.68117   170.40407
   19    18 S   H    _HN2    19     1.01581   119.04931     1.95975
   20    18 S   CT1  _CA2    20     1.46308   123.39622  -176.34013
   21    20 S   HC   _HA2    21     1.09730   109.37771   -13.72739
   22    20 S   C    _C2_    22     1.53356   108.41328  -129.57481
   23    22 S   O    _O2_    23     1.23007   122.28856  -145.88913
   24    20 S   CT   _CB2    32     1.53483   111.10049   108.22402
   25    24 S   HC   HB21    33     1.09575   109.45798    55.99613
   26    24 S   HC   HB22    34     1.09495   110.81477   174.73210
   27    22 S   N    _N3_    24     1.38526   113.32568    41.51571
   28    27 S   H    _HN3    25     1.01530   118.89585    -0.60328
   29    24 S   S    _SG2    35     1.82805   111.38208   -65.49447
   30    27 S   CT   _CA3    26     1.45448   123.42658   175.05125
   31    30 S   HC   HA31    27     1.09527   109.20283    25.05848
   32    30 S   HC   HA32    28     1.09495   107.12959   142.06087
   33    29 S   CT   _C16    36     1.83231    99.68694   150.77392
   34    33 S   HC   _H3_    37     1.09450   110.62073   -39.10879
   35    30 S   CO3  _C3_    29     1.52932   113.13928   -98.39210
   36    35 S   O2Z  _O31    30     1.26402   115.41703   -44.13930
   37    35 S   O2Z  _O32    31     1.26359   114.97371   136.79727
   38    33 S   CM   _C4_    38     1.49647   108.59574    83.48240
   39    38 S   HC   _H38    39     1.08350   123.46466   -43.59946
   40    38 S   CMA  _C5_    40     1.34451   113.53610   137.31908
   41    40 S   OM   _O30    41     1.25848   132.92648   178.92371
   42    40 S   CT   _C27    42     1.55971   109.63594     3.52959
   43    33 S   CT   _C19    43     1.54804   113.02898  -165.04826
   44    43 S   HC   _H54    44     1.10090   105.63513   -33.33612
   45    42 S   CT   _C26    54     1.57169   114.55069  -141.57792
   46    45 S   HC   _H61    55     1.09259   109.30750   -45.35418
   47    42 S   CT   _C32   102     1.54978   105.13498    93.17573
   48    47 S   HC   _H68   103     1.08623   113.13863  -176.24146
   49    47 S   HC   _H69   104     1.09431   111.73284    62.04679
   50    47 S   HC   _H70   105     1.09693   111.92863   -56.71567
   51    43 S   CT   _C22    45     1.54758   117.90827    84.96129
   52    51 S   HC   _H57    46     1.09422   110.42244    74.22181
   53    45 S   OH   _O38    56     1.44528   108.25447    66.44907
   54    53 S   HO   _H71    57     0.97240   107.52850  -158.17026
   55    51 S   CT   _C14    47     1.54402   109.90659  -164.70668
   56    55 S   HC   _H47    48     1.09719   110.42233    47.82913
   57    55 S   HC   _H48    49     1.09972   107.10242   162.18510
   58    51 S   CT   _C30    98     1.53625   113.33678   -43.75706
   59    58 S   HC   _H62    99     1.09466   111.63166   -59.44919
   60    58 S   HC   _H63   100     1.09601   110.60396  -179.05167
   61    58 S   HC   _H64   101     1.09384   111.40540    63.01656
   62    55 S   CT   _C25    50     1.52553   117.85317   -79.19211
   63    62 S   HC   _H60    51     1.09730   103.74757  -169.02940
   64    62 S   CT   _C21    52     1.52828   122.31302    69.68505
   65    64 S   HC   _H56    53     1.09858   103.58431    95.66130
   66    64 S   CT   _C29    58     1.56380   103.58322  -152.57209
   67    66 S   CO4  _C9_    59     1.52674   101.95273    20.10122
   68    67 S   O    _O35    60     1.22255   126.18113   169.51660
   69    66 S   CT   _C13    62     1.56223   118.39799   140.46083
   70    69 S   HC   _H45    63     1.08834   115.58528     3.28861
   71    69 S   HC   _H46    64     1.09660   111.59829  -118.82876
   72    62 S   OS   _O37    61     1.42727   110.41731   -56.67770
   73    69 S   CT   _C18    65     1.54469   104.58796   123.40123
   74    73 S   HC   _H53    66     1.09253   112.59054   162.09850
   75    73 S   CT   _C11    67     1.54183   108.29971   -72.15788
   76    75 S   HC   _H41    68     1.09236   112.88724   -44.39312
   77    75 S   HC   _H42    69     1.09166   112.76524  -170.71695
   78    75 S   CO4  _C8_    70     1.51002    98.67202    73.01911
   79    78 S   O    _O34    71     1.22199   124.27745  -179.47251
   80    66 S   CT   _C28    72     1.59669   114.65434  -100.28040
   81    80 S   CT   _C12    73     1.53242   117.93404    68.78291
   82    81 S   HC   _H43    74     1.09122   109.62330   -24.00215
   83    81 S   HC   _H44    75     1.09776   110.76377  -137.64088
   84    73 S   CT   _C20    89     1.53962   101.87803    37.80161
   85    84 S   HC   _H55    90     1.09665   109.85067    57.12878
   86    81 S   CT   _C17    76     1.53782   113.97686    98.61567
   87    86 S   HC   _H52    77     1.09428   110.31388   -45.84440
   88    86 S   CM   _C6_    78     1.49046   111.74213  -168.05852
   89    88 S   CO4  _C7_    79     1.47226   109.62054  -102.53454
   90    89 S   O    _O33    80     1.21722   127.11478   170.82326
   91    88 S   CM   _C10    95     1.33581   127.98136    79.31993
   92    91 S   HC   _H39    96     1.08527   120.71950    -1.04661
   93    91 S   HC   _H40    97     1.08506   121.75813   178.98105
   94    89 S   OS   _O36    81     1.36048   106.88436    -8.28740
   95    86 S   CT   _C24    82     1.52780   114.67086    78.54082
   96    95 S   HC   _H59    83     1.09765   110.24309  -148.70101
   97    95 S   CT   _C15    84     1.52733   116.80501   -22.95267
   98    97 S   HC   _H49    85     1.09922   108.26231   175.82177
   99    97 S   HC   _H50    86     1.09770   109.62609    63.97258
  100    97 S   CT   _C23    87     1.53306   116.50283   -60.63297
  101   100 S   HC   _H58    88     1.09567   105.79807   169.73241
  102   100 S   CT   _C31    91     1.53648   110.47196   -76.90813
  103   102 S   HC   _H65    92     1.09494   111.59251    64.56916
  104   102 S   HC   _H66    93     1.09527   110.82962   -55.75026
  105   102 S   HC   _H67    94     1.09509   110.82293  -175.05676
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  18   7   6   2
   1   1  12   8   5   1  13   6   5   4   2   1   1   9   5  13
   5  19  10   3  14   6   5   1  14   8   9   5   4   9   3  13
  14   6   5  12   4  14   7   9   8   3   4   1   1   6   7   4
   8   4   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    55    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    64    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    55    62    64    65    45    46    53    54    66    58    47    48    49    50  
   44    51    52    55    56    57    62    64    45    46    53    58    59    60    61    47    48    49    50  
   51    52    55    45    58    47  
   46    53    54    66    67    72    69    80    47    48    49    50    51    55    62    63    64    65  
   53    54    66    47    62    64    65  
   48    49    50    51    53    64  
   49    50  
   50  
    0  
   52    55    56    57    62    63    64    72    58    59    60    61  
   55    56    57    62    58    59    60    61  
   54    66    62    64    65  
   64  
   56    57    62    63    64    65    66    67    72    58    59    60    61  
   57    62    63    64    72    58  
   62    63    64    72    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    72    69    80  
   64    65    66    67    72  
   65    66    67    68    72    69    70    71    73    78    80    81    84  
   66    67    72    69    80  
   67    68    72    69    70    71    73    74    75    78    79    80    81    82    83    86   100    84    85  
   68    72    69    70    71    73    78    80    81    84  
   72    69    80  
   70    71    73    74    75    76    77    78    80    81   100    84    85    72  
   71    73    74    75    80    84  
   73    74    75    80    84  
   80  
   74    75    76    77    78    79    80    81    97   100   101    84    85   102  
   75    76    77    78    80   100    84    85  
   76    77    78    79    80    81   100    84    85  
   77    78    79    80    84  
   78    79    80    84  
   79    80    81    82    83    86   100    84    85  
   80    81    84  
   81    82    83    86    87    88    95    97   100   101    84    85   102  
   82    83    86    87    88    89    94    95    96    97   100    84    85    91  
   83    86    87    88    95    84  
   86    87    88    95    84  
   85   102   103   104   105    86    95    97    98    99   100   101  
  102    97   100   101  
   87    88    89    90    94    95    96    97    98    99   100    91    92    93  
   88    89    94    95    96    97    91  
   89    90    94    95    96    97    91    92    93  
   90    94    95    96    97    91    92    93  
   94    95    91  
   92    93    94    95  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98    99   100   101   102  
   97    98    99   100  
   98    99   100   101   102   103   104   105  
   99   100   101   102  
  100   101   102  
  101   102   103   104   105  
  102   103   104   105  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   95   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    72   320.000  1.410
   64    65   340.000  1.090
   64    45   268.000  1.529
   64    66   268.000  1.529
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    54   553.000  0.945
   66    67   317.000  1.522
   66    69   268.000  1.529
   66    80   268.000  1.529
   67    68   570.000  1.229
   67    72   214.000  1.327
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    84   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   268.000  1.529
   80    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    88   317.000  1.510
   86    95   268.000  1.529
   88    89   320.000  1.462
   88    91   549.000  1.340
   89    90   570.000  1.229
   89    94   214.000  1.327
   94    95   320.000  1.410
   95    96   340.000  1.090
   95    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100    84   268.000  1.529
  100   102   268.000  1.529
   84    85   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   91    92   340.000  1.080
   91    93   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    64    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    55    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   55    51    52    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    45    58.35000  112.70000
   62    64    66    58.35000  112.70000
   62    72    67    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    45    46    37.50000  110.70000
   64    45    53    50.00000  109.50000
   64    66    67    63.00000  111.10000
   64    66    69    58.35000  112.70000
   64    66    80    58.35000  112.70000
   45    42    43    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    53    54    55.00000  108.50000
   53    45    46    35.00000  109.50000
   66    64    65    37.50000  110.70000
   66    64    45    58.35000  112.70000
   66    67    68    80.00000  120.40000
   66    67    72    81.00000  111.40000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    73    58.35000  112.70000
   66    80    78    63.00000  111.10000
   66    80    81    58.35000  112.70000
   66    80    84    58.35000  112.70000
   72    62    63    35.00000  109.50000
   72    62    64    50.00000  109.50000
   72    67    68    83.00000  123.40000
   69    66    67    63.00000  111.10000
   69    73    74    37.50000  110.70000
   69    73    75    58.35000  112.70000
   69    73    84    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    63.00000  111.10000
   73    84    80    58.35000  112.70000
   73    84   100    58.35000  112.70000
   73    84    85    37.50000  110.70000
   75    73    74    37.50000  110.70000
   75    78    79    80.00000  120.40000
   75    78    80    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    63.00000  111.10000
   78    80    84    63.00000  111.10000
   80    66    67    63.00000  111.10000
   80    66    69    58.35000  112.70000
   80    78    79    80.00000  120.40000
   80    81    82    37.50000  110.70000
   80    81    83    37.50000  110.70000
   80    81    86    58.35000  112.70000
   80    84   100    58.35000  112.70000
   80    84    85    37.50000  110.70000
   81    86    87    37.50000  110.70000
   81    86    88    70.00000  112.02700
   81    86    95    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    88    89    65.00000  116.34900
   86    88    91    70.00000  124.00000
   86    95    94    50.00000  109.50000
   86    95    96    37.50000  110.70000
   86    95    97    58.35000  112.70000
   88    86    87    35.00000  109.50000
   88    89    90    80.00000  123.72100
   88    89    94    90.00000  111.29400
   88    91    92    35.00000  120.00000
   88    91    93    35.00000  120.00000
   89    94    95    83.00000  116.90000
   94    89    90    83.00000  123.40000
   94    95    96    35.00000  109.50000
   94    95    97    50.00000  109.50000
   95    86    87    37.50000  110.70000
   95    86    88    70.00000  112.02700
   95    97    98    37.50000  110.70000
   95    97    99    37.50000  110.70000
   95    97   100    58.35000  112.70000
   97    95    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100    84    58.35000  112.70000
   97   100   102    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100    84    85    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
   84    73    74    37.50000  110.70000
   84    73    75    58.35000  112.70000
   84    80    81    58.35000  112.70000
   84   100   101    37.50000  110.70000
  102   100   101    37.50000  110.70000
  102   100    84    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   91    88    89    65.00000  118.96000
   93    91    92    35.00000  117.00000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   78    80    81    82  -0.11250  1.0 3.0
   78    80    81    83  -0.11250  1.0 3.0
   78    80    81    86  -0.95700  1.0 1.0
   78    80    81    86  -0.18200 -1.0 2.0
   78    80    81    86   0.29450  1.0 3.0
   78    80   -84    73  -0.95700  1.0 1.0
   78    80   -84    73  -0.18200 -1.0 2.0
   78    80   -84    73   0.29450  1.0 3.0
   78    80    84   100  -0.95700  1.0 1.0
   78    80    84   100  -0.18200 -1.0 2.0
   78    80    84   100   0.29450  1.0 3.0
   78    80    84    85  -0.11250  1.0 3.0
   79    78    80    66   0.30150 -1.0 2.0
   79    78    80    81   0.30150 -1.0 2.0
   79    78    80    84   0.30150 -1.0 2.0
   80    66    67    68   0.30150 -1.0 2.0
   80    66    67    72   0.36750  1.0 3.0
   80    66    69    70   0.15000  1.0 3.0
   80    66    69    71   0.15000  1.0 3.0
   80    66   -69    73   0.56750  1.0 1.0
   80    66   -69    73  -0.07550 -1.0 2.0
   80    66   -69    73   0.20000  1.0 3.0
   80    81    86    87   0.15000  1.0 3.0
   80    81    86    88   0.34400  1.0 1.0
   80    81    86    88   0.09450 -1.0 2.0
   80    81    86    88   0.11100  1.0 3.0
   80    81    86    95   0.56750  1.0 1.0
   80    81    86    95  -0.07550 -1.0 2.0
   80    81    86    95   0.20000  1.0 3.0
   81    80    84    73   0.56750  1.0 1.0
   81    80    84    73  -0.07550 -1.0 2.0
   81    80    84    73   0.20000  1.0 3.0
   81    80    84   100   0.56750  1.0 1.0
   81    80    84   100  -0.07550 -1.0 2.0
   81    80    84   100   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    86    88    89   0.09700  1.0 1.0
   81    86    88    89   0.15600 -1.0 2.0
   81    86    88    89  -0.50800  1.0 3.0
   81    86    88    91   0.09850  1.0 1.0
   81    86    88    91   0.15250 -1.0 2.0
   81    86    88    91  -0.50650  1.0 3.0
   81    86    95    94   0.62750  1.0 1.0
   81    86    95    94  -0.30950 -1.0 2.0
   81    86    95    94   0.27300  1.0 3.0
   81    86    95    96   0.15000  1.0 3.0
   81    86    95    97   0.56750  1.0 1.0
   81    86    95    97  -0.07550 -1.0 2.0
   81    86    95    97   0.20000  1.0 3.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    95   0.15000  1.0 3.0
   83    81    86    87   0.15000  1.0 3.0
   83    81    86    88   0.15000  1.0 3.0
   83    81    86    95   0.15000  1.0 3.0
   86    88    89    90  -0.64400  1.0 1.0
   86    88    89    90   0.26850 -1.0 2.0
   86    88   -89    94  -0.15000  1.0 1.0
   86    88   -89    94   0.89550 -1.0 2.0
   86    88   -89    94  -0.06900  1.0 3.0
   86    88    91    92   7.00000 -1.0 2.0
   86    88    91    93   7.00000 -1.0 2.0
   86    95    97    98   0.15000  1.0 3.0
   86    95    97    99   0.15000  1.0 3.0
   86    95    97   100   0.56750  1.0 1.0
   86    95    97   100  -0.07550 -1.0 2.0
   86    95    97   100   0.20000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    91   0.00000  1.0 1.0
   87    86    95    94   0.23400  1.0 3.0
   87    86    95    96   0.15000  1.0 3.0
   87    86    95    97   0.15000  1.0 3.0
   88    86   -95    94   0.61850  1.0 1.0
   88    86   -95    94  -0.22750 -1.0 2.0
   88    86   -95    94   0.15300  1.0 3.0
   88    86    95    96   0.15000  1.0 3.0
   88    86    95    97   0.34400  1.0 1.0
   88    86    95    97   0.09450 -1.0 2.0
   88    86    95    97   0.11100  1.0 3.0
   88    89   -94    95   2.00000 -1.0 2.0
   89    88    91    92   7.00000 -1.0 2.0
   89    88    91    93   7.00000 -1.0 2.0
   89    94   -95    86  -0.25900  1.0 1.0
   89    94   -95    86  -0.47000 -1.0 2.0
   89    94   -95    86   0.11750  1.0 3.0
   89    94    95    96   0.08050  1.0 3.0
   89    94    95    97  -0.25900  1.0 1.0
   89    94    95    97  -0.47000 -1.0 2.0
   89    94    95    97   0.11750  1.0 3.0
   90    89    94    95   3.00000 -1.0 2.0
   94    95    97    98   0.23400  1.0 3.0
   94    95    97    99   0.23400  1.0 3.0
   94    95    97   100   0.62750  1.0 1.0
   94    95    97   100  -0.30950 -1.0 2.0
   94    95    97   100   0.27300  1.0 3.0
   95    86   -88    89   0.09700  1.0 1.0
   95    86   -88    89   0.15600 -1.0 2.0
   95    86   -88    89  -0.50800  1.0 3.0
   95    86    88    91   0.09850  1.0 1.0
   95    86    88    91   0.15250 -1.0 2.0
   95    86    88    91  -0.50650  1.0 3.0
   95    97   100   101   0.15000  1.0 3.0
   95    97   100    84   0.56750  1.0 1.0
   95    97   100    84  -0.07550 -1.0 2.0
   95    97   100    84   0.20000  1.0 3.0
   95    97   100   102   0.56750  1.0 1.0
   95    97   100   102  -0.07550 -1.0 2.0
   95    97   100   102   0.20000  1.0 3.0
   96    95    97    98   0.15000  1.0 3.0
   96    95    97    99   0.15000  1.0 3.0
   96    95    97   100   0.15000  1.0 3.0
   97   100    84    73   0.56750  1.0 1.0
   97   100    84    73  -0.07550 -1.0 2.0
   97   100    84    73   0.20000  1.0 3.0
   97   100    84    80   0.56750  1.0 1.0
   97   100    84    80  -0.07550 -1.0 2.0
   97   100    84    80   0.20000  1.0 3.0
   97   100    84    85   0.15000  1.0 3.0
   97   100   102   103   0.15000  1.0 3.0
   97   100   102   104   0.15000  1.0 3.0
   97   100   102   105   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100    84   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100    84   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
  101   100    84    73   0.15000  1.0 3.0
  101   100    84    80   0.15000  1.0 3.0
  101   100    84    85   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
   84    73    75    76   0.15000  1.0 3.0
   84    73    75    77   0.15000  1.0 3.0
   84    73   -75    78  -0.95700  1.0 1.0
   84    73   -75    78  -0.18200 -1.0 2.0
   84    73   -75    78   0.29450  1.0 3.0
   84    80    81    82   0.15000  1.0 3.0
   84    80    81    83   0.15000  1.0 3.0
   84    80    81    86   0.56750  1.0 1.0
   84    80    81    86  -0.07550 -1.0 2.0
   84    80    81    86   0.20000  1.0 3.0
   84   100   102   103   0.15000  1.0 3.0
   84   100   102   104   0.15000  1.0 3.0
   84   100   102   105   0.15000  1.0 3.0
  102   100    84    73   0.56750  1.0 1.0
  102   100    84    73  -0.07550 -1.0 2.0
  102   100    84    73   0.20000  1.0 3.0
  102   100    84    80   0.56750  1.0 1.0
  102   100    84    80  -0.07550 -1.0 2.0
  102   100    84    80   0.20000  1.0 3.0
  102   100    84    85   0.15000  1.0 3.0
   91    88    89    90   1.00000 -1.0 2.0
   91    88    89    94  -0.56150  1.0 1.0
   91    88    89    94   2.19150 -1.0 2.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    62   0.56750  1.0 1.0
   58    51    55    62  -0.07550 -1.0 2.0
   58    51    55    62   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    64   0.56750  1.0 1.0
   47    42    45    64  -0.07550 -1.0 2.0
   47    42    45    64   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.86500  1.0 1.0
   47    42    45    53  -0.17500 -1.0 2.0
   47    42    45    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   66    72    67    68  10.50000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   86    89    88    91   1.10000 -1.0 2.0
   88    94    89    90  10.50000 -1.0 2.0
   92    93    91    88   1.10000 -1.0 2.0
END
