* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    205    338     623
    1     0 S   NP   _N1_     1    29.33068    92.95401   -25.63461
    2     1 S   H    _HN1     2     1.02950    93.16120    10.77342
    3     1 S   H    _H1_     3     1.02828    14.00817  -162.85233
    4     1 S   H    _H2_     4     1.02786   115.07820  -101.19426
    5     1 S   CT   _CA1     5     1.50108   115.77275   125.26010
    6     5 S   HC   _HA1     6     1.09572   105.20748    73.49034
    7     5 S   CO3  _C1_     7     1.53794   112.45391   -46.77288
    8     7 S   O2Z  _O11     8     1.26372   115.00999   -42.87894
    9     7 S   O2Z  _O12     9     1.26239   114.95089   136.28402
   10     5 S   CT   _CB1    10     1.53082   107.42643  -168.51172
   11    10 S   HC   HB11    11     1.09832   109.40126   -49.68127
   12    10 S   HC   HB12    12     1.09814   110.43668    66.93427
   13    10 S   CT   _CG1    13     1.52987   112.59217  -170.65656
   14    13 S   HC   HG11    14     1.09584   110.61865   -65.02329
   15    13 S   HC   HG12    15     1.09668   109.80238    54.20779
   16    13 S   C    _CD1    16     1.51795   112.24625   174.68293
   17    16 S   O    _OE1    17     1.22726   123.28420     6.01894
   18    16 S   N    _N2_    18     1.38647   111.64851  -174.04471
   19    18 S   H    _HN2    19     1.01571   118.94168     2.05462
   20    18 S   CT1  _CA2    20     1.46252   123.44717   178.13428
   21    20 S   HC   _HA2    21     1.09739   109.37310     3.80591
   22    20 S   C    _C2_    22     1.53584   108.52153  -111.70220
   23    22 S   O    _O2_    23     1.23056   122.33517  -147.08422
   24    20 S   CT   _CB2    32     1.53552   111.58095   125.81991
   25    24 S   HC   HB21    33     1.09481   109.33588    56.34184
   26    24 S   HC   HB22    34     1.09320   109.60431   175.29505
   27    22 S   N    _N3_    24     1.38349   113.70760    40.29474
   28    27 S   H    _HN3    25     1.01576   119.59467    -3.13719
   29    24 S   S    _SG2    35     1.83020   110.96935   -64.11980
   30    27 S   CT   _CA3    26     1.45287   123.20359   177.19886
   31    30 S   HC   HA31    27     1.09549   107.49263   -65.02316
   32    30 S   HC   HA32    28     1.09557   108.00494    51.41730
   33    29 S   CT   _C18    36     1.87002   103.20184  -173.87830
   34    30 S   CO3  _C3_    29     1.52961   114.08766   173.42801
   35    34 S   O2Z  _O31    30     1.26375   116.06996    -0.72362
   36    34 S   O2Z  _O32    31     1.26428   114.41063   179.34210
   37    33 S   CM   _C19    37     1.51133   108.46596    68.89824
   38    37 S   HC   _H19    38     1.09072   116.03354   -65.22821
   39    33 S   CT   _C22   100     1.54773   108.90882   -48.14345
   40    39 S   HC   _H21   101     1.09505   112.39649   -52.63803
   41    39 S   HC   _H22   102     1.09735   110.95991  -172.67721
   42    39 S   HC   _H23   103     1.09611   112.57465    69.16695
   43    37 S   CMA  _C20    39     1.34854   127.23506   118.72322
   44    43 S   OM   _O38    40     1.26452   128.21653   175.07228
   45    43 S   CT   _C21    41     1.54380   119.40178    -3.43832
   46    45 S   HC   _H10    42     1.10012   106.28559   100.30664
   47    45 S   CT   _C15    43     1.58556   116.04695   -20.19571
   48    45 S   OH   _O37    98     1.43147   110.37847  -145.30658
   49    48 S   HO   _H20    99     0.97382   106.44184   -29.85680
   50    33 S   CT   _C16    44     1.57618   112.01151  -168.12695
   51    50 S   HC   _H9_    45     1.10240   104.37730   162.40251
   52    47 S   CT   _C23    94     1.54985   108.62167   -72.54676
   53    52 S   HC   _H24    95     1.09062   112.71975   167.24029
   54    52 S   HC   _H25    96     1.09378   111.90702    46.59742
   55    52 S   HC   _H26    97     1.09106   113.10389   -71.08623
   56    50 S   CT   _C17    46     1.54278   113.76688    47.66079
   57    56 S   HC   _H17    47     1.09309   111.69256   -73.45164
   58    56 S   HC   _H18    48     1.09599   109.67966    44.36815
   59    56 S   CT   _C9_    49     1.52575   110.72219   163.28004
   60    59 S   HC   _H6_    50     1.09766   108.18165   178.65288
   61    59 S   CT   _C10    51     1.52433   113.07641    56.54792
   62    61 S   CT   _C11    52     1.53926   112.24685    70.69447
   63    62 S   HC   _H14    53     1.09114   113.97436   -36.21351
   64    62 S   HC   _H15    54     1.09522   113.11449    85.25523
   65    61 S   CT   _C6_    63     1.57577   107.56998  -169.64125
   66    65 S   HC   _H4_    64     1.10229   107.31818   -58.76699
   67    62 S   OS   _O35    55     1.43830   106.51424  -154.87487
   68    65 S   CT   _C7_    65     1.53685   110.36367    56.01097
   69    68 S   HC   _H5_    66     1.09316   111.08799    70.04176
   70    67 S   CO   _C12    56     1.44520   108.19627     3.25341
   71    68 S   CO4  _C8_    67     1.51543   112.88045   -51.20264
   72    71 S   O    _O33    68     1.22833   123.09012  -146.82752
   73    68 S   OS   _O40    70     1.44392   109.74420  -167.59298
   74    47 S   CT   _C14    57     1.61493   109.06186   163.97866
   75    74 S   HC   _H8_    58     1.09339   104.43381   -34.44581
   76    70 S   CT   _C13    59     1.55101   107.12546   -92.62690
   77    76 S   HC   _H7_    60     1.09820   108.25164   -63.74149
   78    59 S   OS   _O34    69     1.44770   105.25690   -68.40140
   79    73 S   CO4  _C24    71     1.36669   117.76439  -147.11999
   80    79 S   O    _O41    72     1.22304   125.91117    -0.33338
   81    70 S   OH   _O39    92     1.41360   110.78041   149.38067
   82    81 S   HO   _H27    93     0.97046   109.04626    87.79770
   83    76 S   CT   _C5_    61     1.54073   112.75365    54.51675
   84    83 S   HC   _H3_    62     1.10034   105.44605   -75.01823
   85    79 S   CT   _C25    73     1.51278   109.12679  -178.97264
   86    85 S   HC   _H28    74     1.09684   109.14351   -31.50449
   87    85 S   HC   _H29    75     1.09624   106.80173    85.01835
   88    76 S   OH   _O36    90     1.42580   111.07323  -178.68567
   89    88 S   HO   _H16    91     0.96932   109.40150   -67.97558
   90    85 S   CT   _C26    76     1.53590   112.80497  -153.44219
   91    90 S   HC   _H30    77     1.09724   109.44144   -50.62436
   92    83 S   CT   _C4_    86     1.52879   111.63473   172.55795
   93    92 S   HC   _H11    87     1.09292   112.38236   -61.67082
   94    92 S   HC   _H12    88     1.09459   110.96507   175.91611
   95    92 S   HC   _H13    89     1.09605   110.15204    57.50427
   96    90 S   CT   _C27    78     1.53084   111.41347    68.93027
   97    96 S   HC   _H31    79     1.09541   111.28499    59.35158
   98    96 S   HC   _H32    80     1.09529   110.68632   179.36604
   99    96 S   HC   _H33    81     1.09452   111.31001   -61.15139
  100    90 S   CT   _C28    82     1.52959   110.00934  -169.01825
  101   100 S   HC   _H34    83     1.09540   111.31000   -60.84696
  102   100 S   HC   _H35    84     1.09514   110.79589    59.40680
  103   100 S   HC   _H36    85     1.09518   110.81731   178.90229
  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  12   5   4   3
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  15   6   8   3   2   1  10   5   4  16   6  19  13   5   4
  21   9   9  13   6  11   5   2   8   8   2  11   6   1   8   4
   3   1   7   5  12   5   4   2   1   9   8   3   2   1   1   7
   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    59    74    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    74    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    70    74    75    52    53    54    55    48    49  
   47    50    74    52    48    49  
   50    51    56    57    58    59    61    62    67    70    74    75    76    65    81    52    53    54    55    48    49  
   49    50    52    74  
    0  
   51    56    57    58    59    60    61    70    74    75    78    52    53    54    55  
   56    57    58    59    74    52  
   53    54    55    56    61    70    74    75  
   54    55    74  
   55    74  
   74  
   57    58    59    60    61    62    74    65    71    78  
   58    59    60    61    78  
   59    60    61    78  
   60    61    62    63    64    67    70    74    75    83    65    66    68    71    72    78  
   61    62    74    65    71    78  
   62    63    64    67    70    74    75    76    83    84    65    66    68    69    71    78    73    92    81  
   63    64    67    70    74    75    76    83    65    66    68    78    81  
   64    67    70    74    65  
   67    70    74    65  
   66    68    69    71    72    78    73    79    92    93    94    95    88    67    70    74    75    76    77    83    84  
   68    69    71    73    92    74    76    83    84  
   70    74    75    76    77    83    88    81    82  
   69    71    72    78    73    79    80    85    92    74    76    83    84  
   71    72    78    73    79    83  
   74    75    76    77    83    84    92    88    89    81    82  
   72    78    73    79    83  
   78    73  
   79    80    85    86    87    90    78    83  
   75    76    77    83    78    88    81    82  
   76    81  
   77    83    84    92    93    94    95    88    89    81    82  
   83    84    92    88    89    81  
    0  
   80    85    86    87    90    91    96   100  
   85    86    87    90  
   82    83    88  
    0  
   84    92    93    94    95    88    89  
   92    93    94    95    88  
   86    87    90    91    96    97    98    99   100   101   102   103  
   87    90    91    96   100  
   90    91    96   100  
   89    92  
    0  
   91    96    97    98    99   100   101   102   103  
   96    97    98    99   100   101   102   103  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100  
  101   102   103  
  102   103  
  103  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   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    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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    74   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    78   320.000  1.410
   61    62   268.000  1.529
   61    74   268.000  1.529
   61    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.410
   67    70   320.000  1.380
   70    74   250.000  1.527
   70    76   250.000  1.527
   70    81   380.000  1.407
   74    75   340.000  1.090
   76    77   340.000  1.090
   76    83   268.000  1.529
   76    88   320.000  1.410
   83    84   340.000  1.090
   83    65   268.000  1.529
   83    92   268.000  1.529
   65    66   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    71   317.000  1.522
   68    73   320.000  1.410
   71    72   570.000  1.229
   71    78   214.000  1.327
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    91   340.000  1.090
   90    96   268.000  1.529
   90   100   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   88    89   553.000  0.945
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    74    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    74    61    58.35000  112.70000
   47    74    70    75.00000  109.43000
   47    74    75    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    78    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    58.35000  112.70000
   59    61    74    58.35000  112.70000
   59    61    65    58.35000  112.70000
   59    78    71    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    67    50.00000  109.50000
   61    74    70    75.00000  109.43000
   61    74    75    37.50000  110.70000
   61    65    83    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   62    67    70    60.00000  109.50000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    70    74    90.00000  108.56700
   67    70    76    90.00000  108.56700
   67    70    81   110.00000  112.08000
   70    74    75    45.00000  108.72000
   70    76    77    45.00000  108.72000
   70    76    83    75.00000  109.43000
   70    76    88    90.00000  111.58700
   70    81    82    70.00000  107.92000
   74    47    50    58.35000  112.70000
   74    61    62    58.35000  112.70000
   76    70    74    65.00000  112.71400
   76    83    84    37.50000  110.70000
   76    83    65    58.35000  112.70000
   76    83    92    58.35000  112.70000
   76    88    89    55.00000  108.50000
   83    76    77    37.50000  110.70000
   83    65    66    37.50000  110.70000
   83    65    68    58.35000  112.70000
   83    92    93    37.50000  110.70000
   83    92    94    37.50000  110.70000
   83    92    95    37.50000  110.70000
   65    61    62    58.35000  112.70000
   65    61    74    58.35000  112.70000
   65    83    84    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    71    63.00000  111.10000
   65    68    73    50.00000  109.50000
   68    65    66    37.50000  110.70000
   68    71    72    80.00000  120.40000
   68    71    78    81.00000  111.40000
   68    73    79    83.00000  116.90000
   71    68    69    35.00000  109.50000
   78    59    60    35.00000  109.50000
   78    59    61    50.00000  109.50000
   78    71    72    83.00000  123.40000
   73    68    69    35.00000  109.50000
   73    68    71    90.00000  108.74100
   73    79    80    83.00000  123.40000
   73    79    85    81.00000  111.40000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    90    63.00000  111.10000
   85    79    80    80.00000  120.40000
   85    90    91    37.50000  110.70000
   85    90    96    58.35000  112.70000
   85    90   100    58.35000  112.70000
   87    85    86    33.00000  107.80000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96    99    37.50000  110.70000
   90   100   101    37.50000  110.70000
   90   100   102    37.50000  110.70000
   90   100   103    37.50000  110.70000
   96    90    91    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    90    91    37.50000  110.70000
  100    90    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   92    83    84    37.50000  110.70000
   92    83    65    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   88    76    77    35.00000  109.50000
   88    76    83    50.00000  109.50000
   81    70    74    90.00000  110.19100
   81    70    76    90.00000  110.19100
   52    47    50    58.35000  112.70000
   52    47    74    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
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   79    85    90   100  -0.95700  1.0 1.0
   79    85    90   100  -0.18200 -1.0 2.0
   79    85    90   100   0.29450  1.0 3.0
   80    79    85    86   0.00000  1.0 1.0
   80    79    85    87   0.00000  1.0 1.0
   80    79    85    90   0.30150 -1.0 2.0
   85    90    96    97   0.15000  1.0 3.0
   85    90    96    98   0.15000  1.0 3.0
   85    90    96    99   0.15000  1.0 3.0
   85    90   100   101   0.15000  1.0 3.0
   85    90   100   102   0.15000  1.0 3.0
   85    90   100   103   0.15000  1.0 3.0
   86    85    90    91   0.15000  1.0 3.0
   86    85    90    96   0.15000  1.0 3.0
   86    85    90   100   0.15000  1.0 3.0
   87    85    90    91   0.15000  1.0 3.0
   87    85    90    96   0.15000  1.0 3.0
   87    85    90   100   0.15000  1.0 3.0
   91    90    96    97   0.15000  1.0 3.0
   91    90    96    98   0.15000  1.0 3.0
   91    90    96    99   0.15000  1.0 3.0
   91    90   100   101   0.15000  1.0 3.0
   91    90   100   102   0.15000  1.0 3.0
   91    90   100   103   0.15000  1.0 3.0
   96    90   100   101   0.15000  1.0 3.0
   96    90   100   102   0.15000  1.0 3.0
   96    90   100   103   0.15000  1.0 3.0
  100    90    96    97   0.15000  1.0 3.0
  100    90    96    98   0.15000  1.0 3.0
  100    90    96    99   0.15000  1.0 3.0
   92    83    65    61   0.56750  1.0 1.0
   92    83    65    61  -0.07550 -1.0 2.0
   92    83    65    61   0.20000  1.0 3.0
   92    83    65    66   0.15000  1.0 3.0
   92    83    65    68   0.56750  1.0 1.0
   92    83    65    68  -0.07550 -1.0 2.0
   92    83    65    68   0.20000  1.0 3.0
   88    76    83    84   0.23400  1.0 3.0
   88    76    83    65   0.86500  1.0 1.0
   88    76    83    65  -0.17500 -1.0 2.0
   88    76    83    65   0.20800  1.0 3.0
   88    76    83    92   0.86500  1.0 1.0
   88    76    83    92  -0.17500 -1.0 2.0
   88    76    83    92   0.20800  1.0 3.0
   81    70    74    47   0.86500  1.0 1.0
   81    70    74    47  -0.17500 -1.0 2.0
   81    70    74    47   0.20800  1.0 3.0
   81    70    74    61   0.86500  1.0 1.0
   81    70    74    61  -0.17500 -1.0 2.0
   81    70    74    61   0.20800  1.0 3.0
   81    70    74    75   0.23400  1.0 3.0
   81    70    76    77   0.23400  1.0 3.0
   81    70    76    83   0.86500  1.0 1.0
   81    70    76    83  -0.17500 -1.0 2.0
   81    70    76    83   0.20800  1.0 3.0
   81    70    76    88   3.75450  1.0 1.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   0.56750  1.0 1.0
   52    47    50    56  -0.07550 -1.0 2.0
   52    47    50    56   0.20000  1.0 3.0
   52    47    74    61   0.56750  1.0 1.0
   52    47    74    61  -0.07550 -1.0 2.0
   52    47    74    61   0.20000  1.0 3.0
   52    47    74    70   3.97050  1.0 1.0
   52    47    74    75   0.15000  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    74   0.86500  1.0 1.0
   48    45    47    74  -0.17500 -1.0 2.0
   48    45    47    74   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   68    78    71    72  10.50000 -1.0 2.0
   73    85    79    80  10.50000 -1.0 2.0
END
