* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    221    361     671
    1     0 S   NP   _N1_     1    28.83590    95.80622   -25.07988
    2     1 S   H    _HN1     2     1.02792   115.24098   -96.59530
    3     1 S   H    _H1_     3     1.02949    75.29957     7.07984
    4     1 S   H    _H2_     4     1.02828    32.03723   179.91377
    5     1 S   CT   _CA1     5     1.50121   127.12639   111.78025
    6     5 S   HC   _HA1     6     1.09575   105.17362    91.06784
    7     5 S   CO3  _C1_     7     1.53772   112.43399   -29.14562
    8     7 S   O2Z  _O11     8     1.26375   115.00804   -43.27474
    9     7 S   O2Z  _O12     9     1.26235   114.93593   135.74003
   10     5 S   CT   _CB1    10     1.53061   107.40431  -150.98214
   11    10 S   HC   HB11    11     1.09839   109.33252   -49.57881
   12    10 S   HC   HB12    12     1.09812   110.47520    67.01111
   13    10 S   CT   _CG1    13     1.53013   112.63616  -170.52809
   14    13 S   HC   HG11    14     1.09576   110.69753   -66.79763
   15    13 S   HC   HG12    15     1.09670   109.73637    52.45611
   16    13 S   C    _CD1    16     1.51810   112.04588   172.91285
   17    16 S   O    _OE1    17     1.22754   123.20236    10.43458
   18    16 S   N    _N2_    18     1.38638   111.79254  -169.60626
   19    18 S   H    _HN2    19     1.01579   119.02337     1.11241
   20    18 S   CT1  _CA2    20     1.46233   123.37787   177.06448
   21    20 S   HC   _HA2    21     1.09743   109.26230     6.11254
   22    20 S   C    _C2_    22     1.53638   108.89438  -109.38234
   23    22 S   O    _O2_    23     1.23076   122.24962  -149.48586
   24    20 S   CT   _CB2    32     1.53346   111.61074   128.02197
   25    24 S   HC   HB21    33     1.09476   109.84119    57.06175
   26    24 S   HC   HB22    34     1.09508   110.08003   176.16467
   27    22 S   N    _N3_    24     1.38324   113.84577    38.05564
   28    27 S   H    _HN3    25     1.01553   119.58969    -3.32849
   29    24 S   S    _SG2    35     1.82683   111.32196   -63.95811
   30    27 S   CT   _CA3    26     1.45281   123.27187   177.13843
   31    30 S   HC   HA31    27     1.09549   107.51603   -64.68655
   32    30 S   HC   HA32    28     1.09557   107.99015    51.76784
   33    29 S   CT   _C18    36     1.85689    99.86624  -173.09996
   34    33 S   HC   _H7_    37     1.09519   108.14694    39.66943
   35    30 S   CO3  _C3_    29     1.52973   114.04746   173.76923
   36    35 S   O2Z  _O31    30     1.26382   116.07484    -0.31466
   37    35 S   O2Z  _O32    31     1.26426   114.41720   179.74207
   38    33 S   CM   _C19    38     1.50571   106.92033   -77.93599
   39    38 S   CMA  _C20    39     1.35430   124.45905   -89.08604
   40    39 S   OM   _O34    40     1.26665   127.34689  -179.02683
   41    38 S   OH   _O35   113     1.38711   114.42453    93.74782
   42    41 S   HO   _H24   114     0.97530   105.71407   178.69015
   43    39 S   CT   _C21    41     1.58126   119.46554     1.76136
   44    43 S   CM   _C16    42     1.56477   113.28092   -14.15608
   45    43 S   CT   _C22   105     1.55442   108.54262   108.38172
   46    45 S   HC   _H18   106     1.09640   111.88400    54.65095
   47    45 S   HC   _H19   107     1.09563   111.39826   -65.56543
   48    45 S   HC   _H20   108     1.09517   112.28471   173.56060
   49    43 S   CT   _C23   109     1.55832   110.76601  -132.69772
   50    49 S   HC   _H21   110     1.09640   112.07747   -64.11080
   51    49 S   HC   _H22   111     1.09639   111.93908   176.93050
   52    49 S   HC   _H23   112     1.09672   111.20605    56.62111
   53    44 S   CM   _C15    43     1.34590   122.42973   169.95051
   54    53 S   HC   _H17    44     1.08597   120.18391    -3.92206
   55    53 S   CT   _C14    45     1.49225   124.87169   171.01054
   56    55 S   HC   _H15    46     1.09722   107.59951   103.32916
   57    55 S   HC   _H16    47     1.09597   108.76793  -142.81821
   58    55 S   CT   _C13    48     1.54273   115.11488   -19.37706
   59    58 S   HC   _H5_    49     1.09874   102.73825   159.18525
   60    58 S   CT   _C12    50     1.57876   111.19277    44.48919
   61    60 S   CO4  _C11    51     1.56039   112.64574  -166.58517
   62    61 S   O    _O33    52     1.23603   120.96032  -156.03251
   63    33 S   CT   _C17    99     1.55851   115.82045   161.45931
   64    63 S   HC   _H6_   100     1.10123   104.47393   170.40087
   65    60 S   CT   _C24   101     1.55136   105.72953    78.62394
   66    65 S   HC   _H25   102     1.09362   112.07012   -61.82225
   67    65 S   HC   _H26   103     1.09435   112.70575   174.95760
   68    65 S   HC   _H27   104     1.09702   110.86722    57.54533
   69    61 S   CT   _C10    53     1.52514   120.36957    28.96476
   70    69 S   HC   _H13    54     1.09342   108.66734    81.11477
   71    69 S   HC   _H14    55     1.09433   106.93839  -164.42852
   72    69 S   CT   _C9_    56     1.52845   111.06435   -43.71107
   73    72 S   CT   _C8_    57     1.56548   116.77529   173.21696
   74    73 S   HC   _H4_    58     1.09638   107.16147   -43.63446
   75    72 S   CT   _C25    95     1.56013   107.58071   -62.91587
   76    75 S   HC   _H28    96     1.09372   112.82651  -179.93147
   77    75 S   HC   _H29    97     1.09221   113.31682    58.63998
   78    75 S   HC   _H30    98     1.09476   110.90410   -59.21830
   79    73 S   CT   _C7_    59     1.56394   101.90263  -157.78253
   80    79 S   HC   _H3_    60     1.09500   112.44661  -100.84920
   81    73 S   CT   _C26    71     1.55989   121.38182    76.79981
   82    79 S   CT   _C6_    61     1.54568   107.48585    19.68370
   83    82 S   HC   _H11    62     1.09567   112.34996   133.38117
   84    82 S   HC   _H12    63     1.09631   109.44447  -107.89280
   85    79 S   OH   _O39    69     1.42247   109.51725   139.67931
   86    85 S   HO   _H44    70     0.97253   107.41731   179.88809
   87    81 S   CO4  _C28    72     1.54801   110.75844  -178.47171
   88    87 S   O    _O36    73     1.23170   121.47890  -117.07587
   89    81 S   CT   _C27    89     1.53055   113.82899   -55.42795
   90    89 S   HC   _H31    90     1.09382   111.64184    76.10516
   91    89 S   HC   _H32    91     1.09704   110.74222  -166.48744
   92    89 S   HC   _H33    92     1.09445   112.10172   -46.45235
   93    81 S   OH   _O38    93     1.42920   109.93751    65.13001
   94    93 S   HO   _H43    94     0.97312   108.04193   177.40844
   95    58 S   CT   _C5_    64     1.56315   115.23040   -87.92413
   96    87 S   CM   _C29    74     1.49671   117.86972    63.68683
   97    96 S   HC   _H34    75     1.08221   117.50931     2.99120
   98    95 S   CT   _C4_    65     1.55965   111.36799    57.15132
   99    98 S   HC   _H8_    66     1.08807   113.31333    62.12205
  100    98 S   HC   _H9_    67     1.09439   111.01397   -59.70177
  101    98 S   HC   _H10    68     1.09317   113.49758  -177.02593
  102    96 S   CM   _C30    76     1.34123   120.66805  -176.28580
  103   102 S   HC   _H35    77     1.08972   118.72192    -0.41871
  104   102 S   CT   _C31    78     1.51231   126.81025   179.33648
  105   104 S   CT   _C32    79     1.53244   109.32447  -118.23111
  106   105 S   HC   _H36    80     1.09632   110.91020  -175.64747
  107   105 S   HC   _H37    81     1.09670   111.18142   -57.80036
  108   105 S   HC   _H38    82     1.09552   111.68858    63.43453
  109   104 S   CT   _C33    83     1.53285   115.35885     6.15508
  110   109 S   HC   _H39    84     1.09655   110.75692   176.54555
  111   109 S   HC   _H40    85     1.09524   112.00848   -62.85724
  112   109 S   HC   _H41    86     1.09638   111.08998    59.00798
  113   104 S   OH   _O37    87     1.43174   106.40350   125.35183
  114   113 S   HO   _H42    88     0.97240   108.03825   175.84037
  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
  15   7   2   1   1  11  15   5   3   1  15  19   9   3   2   1
   5   2   1   1  10   5  12   5   4  23   8  15  14   6   7   1
   5   2   1   1  14   5   4  21  24  10   8   3   2   1  12   7
  14   9   4   3   2   1  12   5   6   3   2   1   2   1   4   7
   3   3   2   1   1  12   4  10   9   4   3   2   5   3   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    63    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    60    63    64    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    53    58    60    61    63    64    65    41    42  
   38    39    44    60    63    64    41  
   36    37  
   37  
    0  
   39    40    43    44    60    63    64    45    49    41    42  
   40    43    44    53    63    45    46    47    48    49    50    51    52    41    42  
   43    44    45    49    41  
   42    43    63  
    0  
   44    53    54    55    60    63    64    45    46    47    48    49    50    51    52  
   53    54    55    56    57    58    60    61    63    64    65    45    46    47    48    49    50    51    52  
   46    47    48    49    50    51    52    53    63  
   47    48    49  
   48    49  
   49  
   50    51    52    53    63  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60    95    63    64  
   55    56    57    58    63  
   56    57    58    59    60    61    72    82    95    98    63    65  
   57    58    59    60    95  
   58    59    60    95  
   59    60    61    62    69    72    73    79    82    83    84    95    98    99   100   101    75    63    64    65    66    67    68  
   60    61    72    82    95    98    63    65  
   61    62    69    70    71    72    82    95    98    63    64    65    66    67    68  
   62    69    70    71    72    73    95    75    63    64    65    66    67    68  
   69    70    71    72    63    65  
   64    65    66    67    68    69    95  
   65  
   66    67    68    69    95  
   67    68  
   68  
    0  
   70    71    72    73    74    79    82    95    98    81    75    76    77    78  
   71    72    73    95    75  
   72    73    95    75  
   73    74    79    80    82    83    84    95    98    99   100   101    85    81    87    89    93    75    76    77    78  
   74    79    80    82    83    84    95    98    85    86    81    87    88    96    89    90    91    92    93    94    75    76    77    78  
   79    80    82    95    85    81    87    89    93    75  
   76    77    78    79    81    82    95    98  
   77    78    95  
   78    95  
   95  
   80    82    83    84    95    98    85    86    81    87    89    93  
   82    83    84    95    85    86    81  
   87    88    96    97   102    89    90    91    92    93    94    82    85    95  
   83    84    95    98    99   100   101    85    86  
   84    95    98    85  
   95    98    85  
   86    95  
    0  
   88    96    97   102   103   104    89    90    91    92    93    94  
   96    97   102    89    93  
   90    91    92    93    94    96  
   91    92    93  
   92    93  
   93  
   94    96  
    0  
   98    99   100   101  
   97   102   103   104   105   109   113  
  102   103   104  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   110   111   112   113   114  
  104   105   109   113  
  105   106   107   108   109   110   111   112   113   114  
  106   107   108   109   110   111   112   113   114  
  107   108   109   113  
  108   109   113  
  109   113  
  110   111   112   113   114  
  111   112   113  
  112   113  
  113  
  114  
    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  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  114   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    63   268.000  1.529
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    44   317.000  1.510
   43    45   268.000  1.529
   43    49   268.000  1.529
   44    53   549.000  1.340
   44    63   317.000  1.510
   53    54   340.000  1.080
   53    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    95   268.000  1.529
   60    61   317.000  1.522
   60    63   268.000  1.529
   60    65   268.000  1.529
   61    62   570.000  1.229
   61    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    95   268.000  1.529
   72    75   268.000  1.529
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   268.000  1.529
   79    80   340.000  1.090
   79    82   268.000  1.529
   79    85   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    95   268.000  1.529
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   85    86   553.000  0.945
   81    87   317.000  1.522
   81    89   268.000  1.529
   81    93   320.000  1.410
   87    88   570.000  1.229
   87    96   320.000  1.462
   96    97   340.000  1.080
   96   102   549.000  1.340
  102   103   340.000  1.080
  102   104   317.000  1.510
  104   105   268.000  1.529
  104   109   268.000  1.529
  104   113   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  113   114   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    63    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    63    44    70.00000  112.02700
   33    63    60    58.35000  112.70000
   33    63    64    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    70.00000  107.45700
   39    43    44    70.00000  110.12100
   39    43    45    70.00000  112.02700
   39    43    49    70.00000  112.02700
   43    39    40    85.00000  112.85300
   43    44    53    70.00000  124.00000
   43    44    63    65.00000  117.92700
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    48    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    35.00000  120.00000
   44    53    55    70.00000  124.00000
   44    63    60    70.00000  112.02700
   44    63    64    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    70.00000  112.02700
   55    53    54    35.00000  117.00000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    95    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    63.00000  111.10000
   58    60    63    58.35000  112.70000
   58    60    65    58.35000  112.70000
   58    95    72    58.35000  112.70000
   58    95    82    58.35000  112.70000
   58    95    98    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    61    62    80.00000  120.40000
   60    61    69    70.00000  116.00000
   60    63    64    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    37.50000  110.70000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    63.00000  111.10000
   69    61    62    80.00000  120.40000
   69    72    73    58.35000  112.70000
   69    72    95    58.35000  112.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    79    58.35000  112.70000
   72    73    81    58.35000  112.70000
   72    95    82    58.35000  112.70000
   72    95    98    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    82    58.35000  112.70000
   73    79    85    50.00000  109.50000
   73    81    87    63.00000  111.10000
   73    81    89    58.35000  112.70000
   73    81    93    50.00000  109.50000
   79    73    74    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    95    58.35000  112.70000
   79    85    86    55.00000  108.50000
   82    79    80    37.50000  110.70000
   82    95    98    58.35000  112.70000
   84    82    83    33.00000  107.80000
   95    58    59    37.50000  110.70000
   95    58    60    58.35000  112.70000
   95    72    73    58.35000  112.70000
   95    82    83    37.50000  110.70000
   95    82    84    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    82    50.00000  109.50000
   81    73    74    37.50000  110.70000
   81    73    79    58.35000  112.70000
   81    87    88    80.00000  120.40000
   81    87    96    65.00000  118.62400
   81    89    90    37.50000  110.70000
   81    89    91    37.50000  110.70000
   81    89    92    37.50000  110.70000
   81    93    94    55.00000  108.50000
   87    96    97    40.00000  117.72500
   87    96   102    65.00000  118.96000
   96    87    88    80.00000  123.72100
   96   102   103    35.00000  120.00000
   96   102   104    70.00000  124.00000
  102    96    97    35.00000  120.00000
  102   104   105    70.00000  112.02700
  102   104   109    70.00000  112.02700
  102   104   113    90.00000  110.39200
  104   102   103    35.00000  117.00000
  104   105   106    37.50000  110.70000
  104   105   107    37.50000  110.70000
  104   105   108    37.50000  110.70000
  104   109   110    37.50000  110.70000
  104   109   111    37.50000  110.70000
  104   109   112    37.50000  110.70000
  104   113   114    55.00000  108.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   104   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  113   104   105    50.00000  109.50000
  113   104   109    50.00000  109.50000
   89    81    87    63.00000  111.10000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    81    87    90.00000  109.61100
   93    81    89    50.00000  109.50000
   75    72    73    58.35000  112.70000
   75    72    95    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   63    33    34    37.50000  110.70000
   63    33    38    70.00000  112.02700
   63    44    53    70.00000  124.00000
   63    60    61    63.00000  111.10000
   65    60    61    63.00000  111.10000
   65    60    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    43    44    70.00000  112.02700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    43    44    70.00000  112.02700
   49    43    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   41    38    39    80.00000  121.38400
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
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   79    82    95    98   0.56750  1.0 1.0
   79    82    95    98  -0.07550 -1.0 2.0
   79    82    95    98   0.20000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    95   0.15000  1.0 3.0
   80    79    85    86   0.19450  1.0 3.0
   82    79    85    86  -0.11600  1.0 1.0
   82    79    85    86  -0.09450 -1.0 2.0
   82    79    85    86   0.21250  1.0 3.0
   82    95    98    99   0.15000  1.0 3.0
   82    95    98   100   0.15000  1.0 3.0
   82    95    98   101   0.15000  1.0 3.0
   83    82    95    58   0.15000  1.0 3.0
   83    82    95    72   0.15000  1.0 3.0
   83    82    95    98   0.15000  1.0 3.0
   84    82    95    58   0.15000  1.0 3.0
   84    82    95    72   0.15000  1.0 3.0
   84    82    95    98   0.15000  1.0 3.0
   95    58   -60    61  -0.95700  1.0 1.0
   95    58   -60    61  -0.18200 -1.0 2.0
   95    58   -60    61   0.29450  1.0 3.0
   95    58    60    63   0.56750  1.0 1.0
   95    58    60    63  -0.07550 -1.0 2.0
   95    58    60    63   0.20000  1.0 3.0
   95    58    60    65   0.56750  1.0 1.0
   95    58    60    65  -0.07550 -1.0 2.0
   95    58    60    65   0.20000  1.0 3.0
   95    72    73    74   0.15000  1.0 3.0
   95    72   -73    79   0.56750  1.0 1.0
   95    72   -73    79  -0.07550 -1.0 2.0
   95    72   -73    79   0.20000  1.0 3.0
   95    72    73    81   0.56750  1.0 1.0
   95    72    73    81  -0.07550 -1.0 2.0
   95    72    73    81   0.20000  1.0 3.0
   95    72    75    76   0.15000  1.0 3.0
   95    72    75    77   0.15000  1.0 3.0
   95    72    75    78   0.15000  1.0 3.0
   85    79    82    83   0.23400  1.0 3.0
   85    79    82    84   0.23400  1.0 3.0
   85    79    82    95   0.86500  1.0 1.0
   85    79    82    95  -0.17500 -1.0 2.0
   85    79    82    95   0.20800  1.0 3.0
   81    73    79    80   0.15000  1.0 3.0
   81    73    79    82   0.56750  1.0 1.0
   81    73    79    82  -0.07550 -1.0 2.0
   81    73    79    82   0.20000  1.0 3.0
   81    73    79    85   0.86500  1.0 1.0
   81    73    79    85  -0.17500 -1.0 2.0
   81    73    79    85   0.20800  1.0 3.0
   81    87    96    97   0.04550  1.0 1.0
   81    87    96    97   0.83000 -1.0 2.0
   81    87    96    97  -0.04000  1.0 3.0
   81    87    96   102  -0.33500  1.0 1.0
   81    87    96   102   1.06600 -1.0 2.0
   81    87    96   102  -0.14000  1.0 3.0
   87    81    89    90  -0.11250  1.0 3.0
   87    81    89    91  -0.11250  1.0 3.0
   87    81    89    92  -0.11250  1.0 3.0
   87    81    93    94   0.91850  1.0 1.0
   87    81    93    94   0.57950  1.0 3.0
   87    96   102   103   7.00000 -1.0 2.0
   87    96   102   104   7.00000 -1.0 2.0
   88    87    96    97   0.00000  1.0 1.0
   88    87    96   102   1.00000 -1.0 2.0
   96   102   104   105   0.09850  1.0 1.0
   96   102   104   105   0.15250 -1.0 2.0
   96   102   104   105  -0.50650  1.0 3.0
   96   102   104   109   0.09850  1.0 1.0
   96   102   104   109   0.15250 -1.0 2.0
   96   102   104   109  -0.50650  1.0 3.0
   96   102   104   113   0.67800  1.0 1.0
   96   102   104   113   0.47050 -1.0 2.0
   96   102   104   113  -0.62500  1.0 3.0
   97    96   102   103   7.00000 -1.0 2.0
   97    96   102   104   7.00000 -1.0 2.0
  102   104   105   106   0.15000  1.0 3.0
  102   104   105   107   0.15000  1.0 3.0
  102   104   105   108   0.15000  1.0 3.0
  102   104   109   110   0.15000  1.0 3.0
  102   104   109   111   0.15000  1.0 3.0
  102   104   109   112   0.15000  1.0 3.0
  102   104   113   114  -0.07800  1.0 1.0
  102   104   113   114  -0.21500 -1.0 2.0
  102   104   113   114  -0.03150  1.0 3.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   109   0.00000  1.0 1.0
  103   102   104   113   0.00000  1.0 1.0
  105   104   109   110   0.15000  1.0 3.0
  105   104   109   111   0.15000  1.0 3.0
  105   104   109   112   0.15000  1.0 3.0
  105   104   113   114  -0.11600  1.0 1.0
  105   104   113   114  -0.09450 -1.0 2.0
  105   104   113   114   0.21250  1.0 3.0
  109   104   105   106   0.15000  1.0 3.0
  109   104   105   107   0.15000  1.0 3.0
  109   104   105   108   0.15000  1.0 3.0
  109   104   113   114  -0.11600  1.0 1.0
  109   104   113   114  -0.09450 -1.0 2.0
  109   104   113   114   0.21250  1.0 3.0
  113   104   105   106   0.23400  1.0 3.0
  113   104   105   107   0.23400  1.0 3.0
  113   104   105   108   0.23400  1.0 3.0
  113   104   109   110   0.23400  1.0 3.0
  113   104   109   111   0.23400  1.0 3.0
  113   104   109   112   0.23400  1.0 3.0
   89    81    87    88   0.30150 -1.0 2.0
   89    81    87    96   0.65300  1.0 1.0
   89    81    87    96  -0.03850 -1.0 2.0
   89    81    87    96   0.33900  1.0 3.0
   89    81    93    94  -0.11600  1.0 1.0
   89    81    93    94  -0.09450 -1.0 2.0
   89    81    93    94   0.21250  1.0 3.0
   93    81    87    88   0.30150 -1.0 2.0
   93    81    87    96   0.65300  1.0 1.0
   93    81    87    96  -0.03850 -1.0 2.0
   93    81    87    96   0.33900  1.0 3.0
   93    81    89    90   0.23400  1.0 3.0
   93    81    89    91   0.23400  1.0 3.0
   93    81    89    92   0.23400  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    79   0.56750  1.0 1.0
   75    72    73    79  -0.07550 -1.0 2.0
   75    72    73    79   0.20000  1.0 3.0
   75    72    73    81   0.56750  1.0 1.0
   75    72    73    81  -0.07550 -1.0 2.0
   75    72    73    81   0.20000  1.0 3.0
   75    72    95    58   0.56750  1.0 1.0
   75    72    95    58  -0.07550 -1.0 2.0
   75    72    95    58   0.20000  1.0 3.0
   75    72    95    82   0.56750  1.0 1.0
   75    72    95    82  -0.07550 -1.0 2.0
   75    72    95    82   0.20000  1.0 3.0
   75    72    95    98   0.56750  1.0 1.0
   75    72    95    98  -0.07550 -1.0 2.0
   75    72    95    98   0.20000  1.0 3.0
   63    33   -38    39   0.09850  1.0 1.0
   63    33   -38    39   0.15250 -1.0 2.0
   63    33   -38    39  -0.50650  1.0 3.0
   63    33    38    41   0.09700  1.0 1.0
   63    33    38    41   0.15600 -1.0 2.0
   63    33    38    41  -0.50800  1.0 3.0
   63    44    53    54   7.00000 -1.0 2.0
   63    44   -53    55   7.00000 -1.0 2.0
   63    60    61    62   0.30150 -1.0 2.0
   63    60    61    69   0.60050  1.0 1.0
   63    60    61    69   0.05600 -1.0 2.0
   63    60    61    69   0.26150  1.0 3.0
   63    60    65    66   0.15000  1.0 3.0
   63    60    65    67   0.15000  1.0 3.0
   63    60    65    68   0.15000  1.0 3.0
   65    60    61    62   0.30150 -1.0 2.0
   65    60    61    69   0.60050  1.0 1.0
   65    60    61    69   0.05600 -1.0 2.0
   65    60    61    69   0.26150  1.0 3.0
   65    60    63    33   0.56750  1.0 1.0
   65    60    63    33  -0.07550 -1.0 2.0
   65    60    63    33   0.20000  1.0 3.0
   65    60    63    44   0.34400  1.0 1.0
   65    60    63    44   0.09450 -1.0 2.0
   65    60    63    44   0.11100  1.0 3.0
   65    60    63    64   0.15000  1.0 3.0
   45    43    44    53   0.09850  1.0 1.0
   45    43    44    53   0.15250 -1.0 2.0
   45    43    44    53  -0.50650  1.0 3.0
   45    43    44    63   0.46850  1.0 1.0
   45    43    44    63   0.08550 -1.0 2.0
   45    43    44    63   0.09800  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    52   0.15000  1.0 3.0
   49    43    44    53   0.09850  1.0 1.0
   49    43    44    53   0.15250 -1.0 2.0
   49    43    44    53  -0.50650  1.0 3.0
   49    43    44    63   0.46850  1.0 1.0
   49    43    44    63   0.08550 -1.0 2.0
   49    43    44    63   0.09800  1.0 3.0
   49    43    45    46   0.15000  1.0 3.0
   49    43    45    47   0.15000  1.0 3.0
   49    43    45    48   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -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    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    63    44    53   1.10000 -1.0 2.0
   55    54    53    44   1.10000 -1.0 2.0
   60    69    61    62  10.50000 -1.0 2.0
   81    96    87    88  10.50000 -1.0 2.0
   87    97    96   102  15.00000 -1.0 2.0
  104   103   102    96  15.00000 -1.0 2.0
END
