* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    221    364     660
    1     0 S   NP   _N1_     1    29.32064    96.73826   -21.18113
    2     1 S   H    _HN1     2     1.02953    71.40002    -9.44619
    3     1 S   H    _H1_     3     1.02832    41.56738   138.34464
    4     1 S   H    _H2_     4     1.02782    99.75316  -115.66795
    5     1 S   CT   _CA1     5     1.50110   144.51498    89.88285
    6     5 S   HC   _HA1     6     1.09573   105.22058    91.24694
    7     5 S   CO3  _C1_     7     1.53795   112.39978   -29.02433
    8     7 S   O2Z  _O11     8     1.26372   114.99521   -43.57578
    9     7 S   O2Z  _O12     9     1.26234   114.94603   135.58697
   10     5 S   CT   _CB1    10     1.53097   107.44920  -150.75574
   11    10 S   HC   HB11    11     1.09830   109.42049   -49.79859
   12    10 S   HC   HB12    12     1.09817   110.42789    66.81412
   13    10 S   CT   _CG1    13     1.53001   112.58825  -170.79081
   14    13 S   HC   HG11    14     1.09588   110.57090   -64.28457
   15    13 S   HC   HG12    15     1.09666   109.85654    54.94209
   16    13 S   C    _CD1    16     1.51798   112.28310   175.41914
   17    16 S   O    _OE1    17     1.22753   123.28060     4.37175
   18    16 S   N    _N2_    18     1.38657   111.64231  -175.97163
   19    18 S   H    _HN2    19     1.01606   119.01528     0.58081
   20    18 S   CT1  _CA2    20     1.46077   123.32390   178.64030
   21    20 S   HC   _HA2    21     1.09541   109.19614    -9.87112
   22    20 S   C    _C2_    22     1.53434   108.61307  -124.71586
   23    22 S   O    _O2_    23     1.23031   122.30314  -149.16539
   24    20 S   CT   _CB2    32     1.53365   111.87207   112.75603
   25    24 S   HC   HB21    33     1.09673   109.38369    61.85279
   26    24 S   HC   HB22    34     1.09501   111.03682   178.73545
   27    22 S   N    _N3_    24     1.38346   113.49016    38.47387
   28    27 S   H    _HN3    25     1.01640   119.49389    -3.77714
   29    24 S   S    _SG2    35     1.83112   114.77746   -57.44824
   30    27 S   CT   _CA3    26     1.45284   123.16766   176.85577
   31    30 S   HC   HA31    27     1.09551   107.56799   -62.94080
   32    30 S   HC   HA32    28     1.09557   107.90981    53.47503
   33    29 S   CT   _C21    36     1.84145   101.02832   -66.87931
   34    33 S   HC   _H3_    37     1.09423   107.26519    51.97054
   35    30 S   CO3  _C3_    29     1.52944   114.09374   175.43511
   36    35 S   O2Z  _O31    30     1.26373   116.03757    -0.41259
   37    35 S   O2Z  _O32    31     1.26423   114.41983   179.62832
   38    33 S   CT   _C9_    38     1.53314   110.16263   -65.91920
   39    38 S   HC   _H38    39     1.09673   109.69042    94.92229
   40    38 S   HC   _H39    40     1.09600   112.90388   -23.92122
   41    38 S   CO4  _C7_    41     1.51538   111.89232  -144.61602
   42    41 S   O    _O30    42     1.23103   120.54587  -124.73599
   43    41 S   CT   _C23    43     1.54725   116.46045    58.83908
   44    43 S   CT   _C15    44     1.57514   107.65999    85.00078
   45    44 S   HC   _H50    45     1.10072   107.48216   -48.72554
   46    43 S   C3T  _C25    95     1.53543   107.69964   -34.72355
   47    43 S   CT   _C28   105     1.54655   108.19975  -153.00871
   48    47 S   HC   _H64   106     1.09451   111.86461  -174.02959
   49    47 S   HC   _H65   107     1.09533   111.33126    66.28629
   50    47 S   HC   _H66   108     1.09454   112.57364   -52.56344
   51    44 S   CT   _C11    46     1.55261   112.94605    67.04606
   52    51 S   HC   _H42    47     1.09356   110.69454    52.52955
   53    51 S   HC   _H43    48     1.09626   109.46620   -64.01494
   54    33 S   CT   _C20    96     1.54180   109.48170   168.38960
   55    54 S   HC   _H55    97     1.09721   111.29760   -32.76391
   56    82 S   O3T  _O34   100     1.42499   115.74063   -50.38428
   57    51 S   CT   _C13    49     1.53686   114.48311   174.79964
   58    57 S   HC   _H46    50     1.09760   108.75268    68.58413
   59    57 S   HC   _H47    51     1.09328   108.00789  -176.36843
   60    54 S   OH   _O35    98     1.43150   108.88764  -148.39093
   61    60 S   HO   _H73    99     0.97307   107.45833    65.00682
   62    57 S   CT   _C24    52     1.53930   111.96570   -53.47842
   63    62 S   CT   _C16    53     1.54874   105.83700    57.98702
   64    63 S   HC   _H51    54     1.10354   107.82776    55.50317
   65    62 S   CT   _C29   101     1.54518   110.23256   -64.84208
   66    65 S   HC   _H67   102     1.09440   112.40923  -176.62333
   67    65 S   HC   _H68   103     1.09322   112.80545    63.04326
   68    65 S   HC   _H69   104     1.09497   110.83133   -56.07835
   69    63 S   CT   _C10    55     1.52169   103.93300   167.62951
   70    69 S   HC   _H40    56     1.09479   112.15128  -155.49458
   71    69 S   HC   _H41    57     1.09582   111.47968    83.81804
   72    44 S   CT   _C17    88     1.55812   112.06318  -164.72824
   73    72 S   HC   _H52    89     1.09550   109.48986   -55.24624
   74    69 S   CT   _C12    58     1.53412   104.06105   -35.23610
   75    74 S   HC   _H44    59     1.09417   109.06015   131.02386
   76    74 S   HC   _H45    60     1.09586   110.45395  -111.44084
   77    72 S   CT   _C14    90     1.53684   110.40670    63.45551
   78    77 S   HC   _H48    91     1.09742   109.64875    73.89079
   79    77 S   HC   _H49    92     1.09633   109.88241  -169.32821
   80    62 S   CT   _C18    61     1.56712   115.52664   166.74748
   81    80 S   HC   _H53    62     1.10003   105.72172   -41.99684
   82    77 S   C3T  _C19    93     1.48569   114.13593   -46.81049
   83    82 S   HC   _H54    94     1.08209   112.55833   170.77218
   84    80 S   CT   _C31    63     1.56459   121.37711    78.91337
   85    84 S   CT   _C22    64     1.56634   111.87775   178.50826
   86    85 S   HC   _H57    65     1.09854   108.64461   -63.40407
   87    84 S   CT   _C30    82     1.53527   111.57952   -56.66893
   88    87 S   HC   _H70    83     1.09566   111.57491  -171.60211
   89    87 S   HC   _H71    84     1.09405   111.99735   -50.37917
   90    87 S   HC   _H72    85     1.09389   111.25481    71.90551
   91    84 S   OH   _O36    86     1.43587   109.94656    59.87467
   92    91 S   HO   _H74    87     0.97113   108.91813    75.10438
   93    85 S   CT   _C8_    66     1.52449   114.90299    60.51985
   94    93 S   HC   _H36    67     1.09570   111.85584    55.24736
   95    93 S   HC   _H37    68     1.09482   109.75558   -64.67422
   96    93 S   CM   _C5_    69     1.50624   109.52225   175.04583
   97    96 S   CM   _C4_    70     1.34797   120.63317   -28.82139
   98    96 S   CT   _C27    78     1.50401   114.32375   151.82294
   99    98 S   HC   _H61    79     1.09473   110.13046   -70.70674
  100    98 S   HC   _H62    80     1.09220   113.54134   167.76244
  101    98 S   HC   _H63    81     1.09570   109.95070    48.56335
  102    97 S   CO4  _C6_    71     1.49121   119.36574    -5.25460
  103   102 S   O    _O29    72     1.22687   121.45493  -164.57361
  104    97 S   CT   _C26    74     1.50173   125.70901   177.49712
  105   104 S   HC   _H58    75     1.09469   110.32106   102.43995
  106   104 S   HC   _H59    76     1.09276   113.04522   -19.15730
  107   104 S   HC   _H60    77     1.09587   110.47742  -137.77926
  108    85 S   OS   _O33    73     1.44831   108.53440  -177.68455
  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  10   5   4   3
  14   8   2   1   1  11   5   4  14   4  21  24  10  16   8   2
   1   1  12   6   5   7   4   7  15   5   4   2   1  21  20   9
   9   3   2   1  11   6   5   8   4   8   4   3   4   3   2  12
   4   1   1  14  16   8   7   3   2   1   3   1  11   5   4  12
  11   5   2   1   1   6   2   4   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    54    55    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    82    46    54    55    60    61    56  
   38    39    40    41    46    54    55    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    54    55    60    47  
   40    41    42    43    54  
   41    42    43    54  
   42    43    44    45    51    72    82    46    54    56    47    48    49    50  
   43    44    46    47  
   44    45    51    52    53    57    63    72    73    77    82    83    46    54    55    60    56    47    48    49    50  
   45    51    52    53    57    58    59    62    63    64    69    72    73    77    78    79    82    46    54    56    47    48    49    50  
   51    52    53    57    63    72    73    77    46    47  
   54    55    60    61    56    47    48    49    50    51    72    77    78    79    82    83  
   48    49    50    51    54    56    72    82  
   49    50  
   50  
    0  
   52    53    57    58    59    62    63    80    72    73    77    65  
   53    57    58    59    62    72  
   57    58    59    62    72  
   55    60    61    56    77    82    83  
   60    61    56    82  
   60    72    77    78    79    82    83  
   58    59    62    63    64    69    74    80    81    84    72    65    66    67    68  
   59    62    63    80    65  
   62    63    80    65  
   61    82  
    0  
   63    64    69    70    71    74    75    76    80    81    84    85    87    91    72    73    77    65    66    67    68  
   64    69    70    71    74    75    76    80    81    84    72    73    77    78    79    82    65    66    67    68  
   69    70    71    74    80    72    73    77    65  
   66    67    68    69    72    74    80    81    84  
   67    68    80  
   68    80  
   80  
   70    71    74    75    76    80    81    84    72    73    77  
   71    74    75    76    80    72  
   74    75    76    80    72  
   73    77    78    79    82    83    74    80  
   77    78    79    82  
   75    76    80    81    84    85    87    91  
   76    80    81    84  
   80    81    84  
   78    79    82    83  
   79    82    83  
   82    83  
   81    84    85    86    93   108    87    88    89    90    91    92  
   84    85    87    91  
   83  
    0  
   85    86    93    94    95    96   102   108    87    88    89    90    91    92  
   86    93    94    95    96    97   102   103   108    98    87    88    89    90    91    92  
   93    94    95    96   102   108    87    91  
   88    89    90    91    92    93   108  
   89    90    91  
   90    91  
   91  
   92    93   108  
    0  
   94    95    96    97   102   108   104    98    99   100   101  
   95    96    97   108    98  
   96    97   108    98  
   97   102   103   108   104   105   106   107    98    99   100   101  
  102   103   108   104   105   106   107    98    99   100   101  
   99   100   101   102   104  
  100   101  
  101  
    0  
  103   108   104   105   106   107  
  108   104  
  105   106   107   108  
  106   107  
  107  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   275.000  1.510
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    72   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   268.000  1.529
   62    80   268.000  1.529
   62    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    84   268.000  1.529
   84    85   268.000  1.529
   84    87   268.000  1.529
   84    91   320.000  1.410
   85    86   340.000  1.090
   85    93   268.000  1.529
   85   108   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   317.000  1.510
   96    97   549.000  1.340
   96    98   317.000  1.510
   97   102   320.000  1.462
   97   104   317.000  1.510
  102   103   570.000  1.229
  102   108   214.000  1.327
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   553.000  0.945
   72    73   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   275.000  1.510
   82    83   340.000  1.088
   82    46   260.000  1.509
   82    56   335.000  1.432
   46    54   275.000  1.510
   46    56   335.000  1.432
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    54    46    70.00000  112.37300
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    44    72    58.35000  112.70000
   43    46    82    60.00000  120.94000
   43    46    54    58.35000  112.70000
   43    46    56    80.00000  116.47100
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    57    58.35000  112.70000
   44    72    63    58.35000  112.70000
   44    72    73    37.50000  110.70000
   44    72    77    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    62    63    58.35000  112.70000
   57    62    80    58.35000  112.70000
   57    62    65    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    69    58.35000  112.70000
   62    63    72    58.35000  112.70000
   62    80    74    58.35000  112.70000
   62    80    81    37.50000  110.70000
   62    80    84    58.35000  112.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    74    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    77    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    80    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    62    63    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    58.35000  112.70000
   80    84    87    58.35000  112.70000
   80    84    91    50.00000  109.50000
   84    80    81    37.50000  110.70000
   84    85    86    37.50000  110.70000
   84    85    93    58.35000  112.70000
   84    85   108    50.00000  109.50000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   84    91    92    55.00000  108.50000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93    96    70.00000  112.02700
   85   108   102    83.00000  116.90000
   93    85    86    37.50000  110.70000
   93    96    97    70.00000  124.00000
   93    96    98    65.00000  117.92700
   95    93    94    33.00000  107.80000
   96    93    94    35.00000  109.50000
   96    93    95    35.00000  109.50000
   96    97   102    65.00000  118.96000
   96    97   104    70.00000  124.00000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   97   102   103    80.00000  123.72100
   97   102   108    90.00000  111.29400
   97   104   105    35.00000  109.50000
   97   104   106    35.00000  109.50000
   97   104   107    35.00000  109.50000
  108    85    86    35.00000  109.50000
  108    85    93    50.00000  109.50000
  108   102   103    83.00000  123.40000
  104    97   102    65.00000  116.34900
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   98    96    97    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   87    84    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    84    85    50.00000  109.50000
   91    84    87    50.00000  109.50000
   72    44    45    37.50000  110.70000
   72    44    51    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    69    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    70.00000  112.37300
   77    72    73    37.50000  110.70000
   77    82    83    40.00000  115.04500
   77    82    46    60.00000  120.94000
   77    82    56    80.00000  116.47100
   79    77    78    33.00000  107.80000
   82    77    78    45.00000  109.38400
   82    77    79    45.00000  109.38400
   82    46    54    60.00000  120.94000
   82    46    56    15.00000   60.43100
   82    56    46    15.00000   59.14900
   46    43    44    70.00000  112.37300
   46    82    83    37.50000  117.20000
   46    54    55    45.00000  109.38400
   46    54    60    50.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    60    61    55.00000  108.50000
   60    54    55    35.00000  109.50000
   56    82    83    50.00000  114.27700
   56    82    46    15.00000   60.43100
   56    46    54    80.00000  116.47100
   65    62    63    58.35000  112.70000
   65    62    80    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
   47    43    44    58.35000  112.70000
   47    43    46    70.00000  112.37300
   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
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   93    96    98   100   0.34800  1.0 3.0
   93    96    98   101   0.34800  1.0 3.0
   94    93    96    97   0.00000  1.0 1.0
   94    93    96    98   0.34800  1.0 3.0
   95    93    96    97   0.00000  1.0 1.0
   95    93    96    98   0.34800  1.0 3.0
   96    97   102   103   1.00000 -1.0 2.0
   96    97   102   108  -0.56150  1.0 1.0
   96    97   102   108   2.19150 -1.0 2.0
   96    97   104   105   0.00000  1.0 1.0
   96    97   104   106   0.00000  1.0 1.0
   96    97   104   107   0.00000  1.0 1.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   97   102  -108    85   2.00000 -1.0 2.0
  102    97   104   105   0.15000  1.0 3.0
  102    97   104   106   0.15000  1.0 3.0
  102    97   104   107   0.15000  1.0 3.0
  103   102   108    85   3.00000 -1.0 2.0
  108    85    93    94   0.23400  1.0 3.0
  108    85    93    95   0.23400  1.0 3.0
  108    85   -93    96   0.61850  1.0 1.0
  108    85   -93    96  -0.22750 -1.0 2.0
  108    85   -93    96   0.15300  1.0 3.0
  104    97   102   103  -0.64400  1.0 1.0
  104    97   102   103   0.26850 -1.0 2.0
  104    97   102   108  -0.15000  1.0 1.0
  104    97   102   108   0.89550 -1.0 2.0
  104    97   102   108  -0.06900  1.0 3.0
   98    96    97   102   7.00000 -1.0 2.0
   98    96    97   104   7.00000 -1.0 2.0
   87    84    85    86   0.15000  1.0 3.0
   87    84    85    93   0.56750  1.0 1.0
   87    84    85    93  -0.07550 -1.0 2.0
   87    84    85    93   0.20000  1.0 3.0
   87    84    85   108   0.62750  1.0 1.0
   87    84    85   108  -0.30950 -1.0 2.0
   87    84    85   108   0.27300  1.0 3.0
   87    84    91    92  -0.11600  1.0 1.0
   87    84    91    92  -0.09450 -1.0 2.0
   87    84    91    92   0.21250  1.0 3.0
   91    84    85    86   0.23400  1.0 3.0
   91    84    85    93   0.86500  1.0 1.0
   91    84    85    93  -0.17500 -1.0 2.0
   91    84    85    93   0.20800  1.0 3.0
   91    84    85   108   3.69350  1.0 1.0
   91    84    85   108  -1.82950 -1.0 2.0
   91    84    87    88   0.23400  1.0 3.0
   91    84    87    89   0.23400  1.0 3.0
   91    84    87    90   0.23400  1.0 3.0
   72    44    51    52   0.15000  1.0 3.0
   72    44    51    53   0.15000  1.0 3.0
   72    44   -51    57   0.56750  1.0 1.0
   72    44   -51    57  -0.07550 -1.0 2.0
   72    44   -51    57   0.20000  1.0 3.0
   72    63    69    70   0.15000  1.0 3.0
   72    63    69    71   0.15000  1.0 3.0
   72    63    69    74   0.56750  1.0 1.0
   72    63    69    74  -0.07550 -1.0 2.0
   72    63    69    74   0.20000  1.0 3.0
   72    77    82    83   0.15000  1.0 3.0
   72    77    82    46   0.07850  1.0 1.0
   72    77    82    46  -0.03950 -1.0 2.0
   72    77    82    46   0.67350  1.0 3.0
   72    77    82    56   0.02550  1.0 1.0
   72    77    82    56  -0.02600 -1.0 2.0
   72    77    82    56   1.20400  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   77    82   -46    43   0.56750  1.0 1.0
   77    82   -46    43  -0.07550 -1.0 2.0
   77    82   -46    43   0.20000  1.0 3.0
   77    82    46    54   0.56750  1.0 1.0
   77    82    46    54  -0.07550 -1.0 2.0
   77    82    46    54   0.20000  1.0 3.0
   77    82   -46    56   0.02550  1.0 1.0
   77    82   -46    56  -0.02600 -1.0 2.0
   77    82   -46    56   1.20400  1.0 3.0
   77    82   -56    46   0.06250  1.0 1.0
   77    82   -56    46  -0.01100 -1.0 2.0
   77    82   -56    46   0.28050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    46   0.15000  1.0 3.0
   78    77    82    56   0.23400  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    77    82    46   0.15000  1.0 3.0
   79    77    82    56   0.23400  1.0 3.0
   82    46    54    33   0.07850  1.0 1.0
   82    46    54    33  -0.03950 -1.0 2.0
   82    46    54    33   0.67350  1.0 3.0
   82    46    54    55   0.15000  1.0 3.0
   82    46    54    60   0.86500  1.0 1.0
   82    46    54    60  -0.17500 -1.0 2.0
   82    46    54    60   0.20800  1.0 3.0
   83    82    46    43   0.15000  1.0 3.0
   83    82    46    54   0.15000  1.0 3.0
   83    82   -46    56   0.23400  1.0 3.0
   83    82   -56    46   0.36800  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    51   0.47050  1.0 1.0
   46    43    44    51   0.03900 -1.0 2.0
   46    43    44    51   0.20100  1.0 3.0
   46    43   -44    72   0.47050  1.0 1.0
   46    43   -44    72   0.03900 -1.0 2.0
   46    43   -44    72   0.20100  1.0 3.0
   46    43    47    48   0.15000  1.0 3.0
   46    43    47    49   0.15000  1.0 3.0
   46    43    47    50   0.15000  1.0 3.0
   46    54    60    61  -0.11600  1.0 1.0
   46    54    60    61  -0.09450 -1.0 2.0
   46    54    60    61   0.21250  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41  -0.95700  1.0 1.0
   54    33   -38    41  -0.18200 -1.0 2.0
   54    33   -38    41   0.29450  1.0 3.0
   54    46   -56    82   0.06250  1.0 1.0
   54    46   -56    82  -0.01100 -1.0 2.0
   54    46   -56    82   0.28050  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    82   -46    43   0.02550  1.0 1.0
   56    82   -46    43  -0.02600 -1.0 2.0
   56    82   -46    43   1.20400  1.0 3.0
   56    82   -46    54   0.02550  1.0 1.0
   56    82   -46    54  -0.02600 -1.0 2.0
   56    82   -46    54   1.20400  1.0 3.0
   56    46    54    33   0.02550  1.0 1.0
   56    46    54    33  -0.02600 -1.0 2.0
   56    46    54    33   1.20400  1.0 3.0
   56    46    54    55   0.23400  1.0 3.0
   56    46    54    60   3.69350  1.0 1.0
   56    46    54    60  -1.82950 -1.0 2.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62    63    72   0.56750  1.0 1.0
   65    62    63    72  -0.07550 -1.0 2.0
   65    62    63    72   0.20000  1.0 3.0
   65    62    80    74   0.56750  1.0 1.0
   65    62    80    74  -0.07550 -1.0 2.0
   65    62    80    74   0.20000  1.0 3.0
   65    62    80    81   0.15000  1.0 3.0
   65    62    80    84   0.56750  1.0 1.0
   65    62    80    84  -0.07550 -1.0 2.0
   65    62    80    84   0.20000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    44    72   0.56750  1.0 1.0
   47    43    44    72  -0.07550 -1.0 2.0
   47    43    44    72   0.20000  1.0 3.0
   47    43    46    82   0.07850  1.0 1.0
   47    43    46    82  -0.03950 -1.0 2.0
   47    43    46    82   0.67350  1.0 3.0
   47    43    46    54   0.56750  1.0 1.0
   47    43    46    54  -0.07550 -1.0 2.0
   47    43    46    54   0.20000  1.0 3.0
   47    43    46    56   0.02550  1.0 1.0
   47    43    46    56  -0.02600 -1.0 2.0
   47    43    46    56   1.20400  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
   38    43    41    42  10.50000 -1.0 2.0
   93    98    96    97   1.10000 -1.0 2.0
  102   104    97    96   1.10000 -1.0 2.0
   97   108   102   103  10.50000 -1.0 2.0
END
