* LIGAND DATABASE FILE (OPLS2005)
*
001     106   111    219    366     665
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02115   104.40831   -34.76473
    3     1 S   H    _H1_     3     1.02032    68.67761    70.03030
    4     1 S   H    _H2_     4     1.02147    44.31830  -136.90277
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C26    36     1.85329    97.18694  -178.12790
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.54772   109.89168    79.97641
   38    37 S   HC   _H51    38     1.10112   108.26720  -173.86659
   39    33 S   CT   _C25    77     1.59472   111.38412  -160.20243
   40    33 S   CT   _C30   103     1.54293   106.46845   -38.23861
   41    40 S   HC   _H68   104     1.08326   109.07723   -61.37073
   42    40 S   HC   _H69   105     1.08365   109.01624   178.64318
   43    40 S   HC   _H70   106     1.08386   109.03903    58.66152
   44    37 S   CO4  _C6_    39     1.53122   122.07244   -53.35409
   45    44 S   O    _O29    40     1.22263   125.28141   -38.06215
   46    39 S   CT   _C20    78     1.58509   114.61816    60.16340
   47    46 S   HC   _H55    79     1.09440   111.61565    -9.86821
   48    44 S   CT   _C15    41     1.52674   110.52315   142.16167
   49    48 S   HC   _H50    42     1.10184   104.97659   -99.92055
   50    46 S   CT   _C21    80     1.53163   102.21085   105.88725
   51    50 S   HC   _H56    81     1.09972   106.51611   -81.14568
   52    46 S   CT   _C28    99     1.53227   115.79521  -130.68807
   53    52 S   HC   _H62   100     1.08699   109.51013   -55.92749
   54    52 S   HC   _H63   101     1.08652   109.55690  -175.91625
   55    52 S   HC   _H64   102     1.08696   109.56892    64.00603
   56    48 S   CT   _C17    43     1.54188   101.03862    12.75151
   57    56 S   HC   _H52    44     1.09910   110.93916    77.12921
   58    50 S   CT   _C22    82     1.50885   101.54132    33.30342
   59    58 S   HC   _H57    83     1.09910   112.02436    70.17266
   60    56 S   CT   _C7_    45     1.52076   109.31629  -163.38637
   61    60 S   HC   _H34    46     1.09550   109.49548  -168.65366
   62    60 S   HC   _H35    47     1.09540   111.35180    72.91350
   63    37 S   CT   _C18    69     1.54444   112.71850    65.84036
   64    63 S   HC   _H53    70     1.09889   111.13118   -57.26304
   65    58 S   CT   _C13    84     1.51860   110.43718  -168.10741
   66    65 S   HC   _H46    85     1.09588   110.11279  -178.32930
   67    65 S   HC   _H47    86     1.09728   110.16802    65.02880
   68    39 S   OS   _O30    98     1.47323   106.65137   175.56138
   69    60 S   CM   _C4_    48     1.50735   110.32509   -48.10993
   70    69 S   HC   _H33    49     1.08805   115.71073  -163.86045
   71    63 S   CT   _C9_    71     1.51426   110.29534    62.52348
   72    71 S   HC   _H38    72     1.09562   110.32981  -179.62780
   73    71 S   HC   _H39    73     1.09651   110.87803    62.21618
   74    65 S   CT   _C19    87     1.53973   108.51268   -56.67769
   75    74 S   HC   _H54    88     1.09911   108.02259   -67.30859
   76    69 S   CM   _C5_    50     1.35144   124.76132    15.31412
   77    71 S   CT   _C12    74     1.53655   109.06533   -59.35426
   78    77 S   HC   _H44    75     1.09551   106.36177   177.46264
   79    77 S   HC   _H45    76     1.09585   108.62191   -67.31762
   80    74 S   CT   _C14    89     1.54577   111.54853    51.13505
   81    80 S   HC   _H48    90     1.09752   110.08835    70.68630
   82    80 S   HC   _H49    91     1.09621   109.23216  -172.44851
   83    74 S   CT   _C27    94     1.52711   110.66974   174.94216
   84    83 S   HC   _H59    95     1.08850   109.80891   -62.11725
   85    83 S   HC   _H60    96     1.08888   109.79775   177.91587
   86    83 S   HC   _H61    97     1.08863   109.86968    57.93235
   87    76 S   CT   _C8_    51     1.50940   120.46153  -178.34188
   88    87 S   HC   _H36    52     1.09773   111.71733    -5.56416
   89    87 S   HC   _H37    53     1.09752   109.55156   110.30441
   90    50 S   NTH  _N28    92     1.45557   119.99208   156.09294
   91    90 S   H    _H71    93     1.01928   109.84830    60.43257
   92    87 S   CT   _C23    54     1.52768   111.68209  -127.73056
   93    92 S   HC   _H58    55     1.09749   109.88694    68.20737
   94    92 S   CT   _C10    56     1.52597   111.51619   -53.58643
   95    94 S   HC   _H40    57     1.09639   110.13914   -67.54156
   96    94 S   HC   _H41    58     1.09695   109.57380   177.12356
   97    92 S   OH   _O33    67     1.42383   109.58026  -173.65912
   98    97 S   HO   _H72    68     0.96935   106.63779   -59.95268
   99    94 S   CT   _C11    59     1.52915   111.40041    55.70233
  100    99 S   HC   _H42    60     1.09857   107.59295    67.35223
  101    99 S   HC   _H43    61     1.09644   108.71544  -177.97551
  102    48 S   CT   _C24    62     1.54661   120.72441   136.02267
  103   102 S   CT   _C29    63     1.54498   111.47488   -44.63005
  104   103 S   HC   _H65    64     1.08283   108.98972    60.00679
  105   103 S   HC   _H66    65     1.08347   108.94404   -59.90542
  106   103 S   HC   _H67    66     1.08232   108.96669  -179.90309
  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  13   5   4   3
  23   2   1   1  22   9  25   8   2   1   1  13   5  18  10  21
   8  18   8   7   2   1   1  16   8  12   6  10   5   4   9   4
  13   6   5   6   9   3   5   4   3  10   8  15   2   1   1   8
   4   3   4   2   1   1  12   6   5   1   1  10   6   9   6   5
   2   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    63    77    39    46    68    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    48    56    63    64    71    77    78    79    39    46    47    50    58    68    52    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    48    49    56    57    60   102    63    64    71    72    73    77    39    46    68    40    41    42    43  
   44    45    48    56    63    64    71    39    40  
   46    47    50    51    58    59    65    90    68    52    53    54    55    40    41    42    43    44    63    71    72    73    77    78    79  
   41    42    43    44    46    63    68    77  
   42    43  
   43  
    0  
   45    48    49    56    57    60    76    99   102   103    63    64    71  
   48    49    56   102    63  
   47    50    51    58    59    65    80    90    91    68    52    53    54    55    71    77    78    79  
   50    51    58    90    68    52    53    54    55    77  
   49    56    57    60    61    62    69    76    87    94    99   100   101   102   103   104   105   106    63    64    71  
   56    57    60    76    99   102   103    63  
   51    58    59    65    66    67    74    80    81    82    90    91    68    52    53    54    55    77  
   58    59    65    80    90    91    68    52  
   53    54    55    58    68    77    90  
   54    55  
   55  
    0  
   57    60    61    62    69    70    76    99   102   103    63    64    71    72    73    77  
   60    61    62    69   102    63    64    71  
   59    65    66    67    74    75    80    90    91    83    68    77  
   65    66    67    74    90    68  
   61    62    69    70    76    87   102    63    64    71  
   62    69    70    76    63  
   69    70    76    63  
   64    71    72    73    77    78    79    69   102  
   71    72    73    77  
   66    67    74    75    80    81    82    90    83    84    85    86    68  
   67    74    75    80    83    68  
   74    75    80    83    68  
   71    74    77    78    79    90  
   70    76    87    88    89    92    99   102   103  
   76    87   102  
   72    73    77    78    79  
   73    77    78    79  
   77    78    79  
   75    80    81    82    90    91    83    84    85    86  
   80    81    82    90    83    84    85    86  
   87    88    89    92    93    94    99   100   101   102   103   104   105   106    97  
   78    79  
   79  
    0  
   81    82    90    91    83    84    85    86  
   82    90    91    83  
   90    91    83  
   84    85    86    90  
   85    86  
   86  
    0  
   88    89    92    93    94    95    96    99   102   103    97    98  
   89    92    93    94   102    97  
   92    93    94   102    97  
   91  
    0  
   93    94    95    96    99   100   101   102    97    98  
   94    95    96    99    97    98  
   95    96    99   100   101   102   103    97    98  
   96    99   100   101   102    97  
   99   100   101   102    97  
   98    99  
    0  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103   104   105   106  
  104   105   106  
  105   106  
  106  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   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   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   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   268.000  1.529
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   317.000  1.522
   37    63   268.000  1.529
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    56   268.000  1.529
   48   102   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   317.000  1.510
   69    70   340.000  1.080
   69    76   549.000  1.340
   76    87   317.000  1.510
   76   102   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   553.000  0.945
   63    64   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    46   268.000  1.529
   39    68   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    90   305.000  1.454
   58    59   340.000  1.090
   58    65   268.000  1.529
   58    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    90   305.000  1.454
   90    91   500.000  1.015
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    37    63    58.35000  112.70000
   33    39    77    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    68    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    48    70.00000  116.00000
   37    63    56    58.35000  112.70000
   37    63    64    37.50000  110.70000
   37    63    71    58.35000  112.70000
   44    37    38    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    56    63.00000  111.10000
   44    48   102    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    56    57    37.50000  110.70000
   48    56    60    58.35000  112.70000
   48    56    63    58.35000  112.70000
   48   102    76    70.00000  112.02700
   48   102    99    58.35000  112.70000
   48   102   103    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    69    70.00000  112.02700
   56    63    64    37.50000  110.70000
   56    63    71    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    69    70    35.00000  117.00000
   60    69    76    70.00000  124.00000
   62    60    61    33.00000  107.80000
   69    60    61    35.00000  109.50000
   69    60    62    35.00000  109.50000
   69    76    87    70.00000  124.00000
   69    76   102    70.00000  124.00000
   76    69    70    35.00000  120.00000
   76    87    88    35.00000  109.50000
   76    87    89    35.00000  109.50000
   76    87    92    70.00000  112.02700
   76   102    99    70.00000  112.02700
   76   102   103    70.00000  112.02700
   87    92    93    37.50000  110.70000
   87    92    94    58.35000  112.70000
   87    92    97    50.00000  109.50000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    99    58.35000  112.70000
   92    97    98    55.00000  108.50000
   94    92    93    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    58.35000  112.70000
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   102   103    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    48    49    37.50000  110.70000
  102    48    56    58.35000  112.70000
  102    76    87    65.00000  117.92700
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   103   104    37.50000  110.70000
  102   103   105    37.50000  110.70000
  102   103   106    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    94    50.00000  109.50000
   63    37    38    37.50000  110.70000
   63    37    44    63.00000  111.10000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    77    58.35000  112.70000
   71    63    64    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    39    46    58.35000  112.70000
   77    39    68    50.00000  109.50000
   79    77    78    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   39    46    52    58.35000  112.70000
   39    68    58    60.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    90    80.00000  111.29100
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    65    58.35000  112.70000
   50    58    68    50.00000  109.50000
   50    90    80    75.00000  112.02600
   50    90    91    50.00000  109.23200
   58    50    51    37.50000  110.70000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    74    58.35000  112.70000
   65    58    59    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    80    58.35000  112.70000
   65    74    83    58.35000  112.70000
   67    65    66    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    90    80.00000  111.29100
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    86    37.50000  110.70000
   80    74    75    37.50000  110.70000
   80    90    91    50.00000  109.23200
   82    80    81    33.00000  107.80000
   90    50    51    50.00000  110.59500
   90    50    58    80.00000  111.29100
   90    80    81    50.00000  110.59500
   90    80    82    50.00000  110.59500
   83    74    75    37.50000  110.70000
   83    74    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   68    39    46    50.00000  109.50000
   68    58    59    35.00000  109.50000
   68    58    65    50.00000  109.50000
   52    46    47    37.50000  110.70000
   52    46    50    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
   40    33    37    58.35000  112.70000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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   39    33    37    44   0.29450  1.0 3.0
   39    33   -37    63   0.56750  1.0 1.0
   39    33   -37    63  -0.07550 -1.0 2.0
   39    33   -37    63   0.20000  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46   -50    58   0.56750  1.0 1.0
   39    46   -50    58  -0.07550 -1.0 2.0
   39    46   -50    58   0.20000  1.0 3.0
   39    46    50    90   1.53400  1.0 1.0
   39    46    50    90  -0.09950 -1.0 2.0
   39    46    50    90   0.05700  1.0 3.0
   39    46    52    53   0.15000  1.0 3.0
   39    46    52    54   0.15000  1.0 3.0
   39    46    52    55   0.15000  1.0 3.0
   46    39   -68    58   0.06250  1.0 1.0
   46    39   -68    58  -0.01100 -1.0 2.0
   46    39   -68    58   0.28050  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    65   0.56750  1.0 1.0
   46    50    58    65  -0.07550 -1.0 2.0
   46    50    58    65   0.20000  1.0 3.0
   46    50   -58    68   0.62750  1.0 1.0
   46    50   -58    68  -0.30950 -1.0 2.0
   46    50   -58    68   0.27300  1.0 3.0
   46    50    90    80  -0.35450  1.0 1.0
   46    50    90    80   0.44050 -1.0 2.0
   46    50    90    80   0.77100  1.0 3.0
   46    50    90    91   0.03200  1.0 1.0
   46    50    90    91   0.33800 -1.0 2.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   47    46    50    90   0.15000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   50    58    65    66   0.15000  1.0 3.0
   50    58    65    67   0.15000  1.0 3.0
   50    58    65    74   0.56750  1.0 1.0
   50    58    65    74  -0.07550 -1.0 2.0
   50    58    65    74   0.20000  1.0 3.0
   50    58   -68    39   0.06250  1.0 1.0
   50    58   -68    39  -0.01100 -1.0 2.0
   50    58   -68    39   0.28050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    65   0.15000  1.0 3.0
   51    50    58    68   0.23400  1.0 3.0
   51    50    90    80   0.28000  1.0 3.0
   51    50    90    91   0.20000  1.0 3.0
   58    50    90    80  -0.35450  1.0 1.0
   58    50    90    80   0.44050 -1.0 2.0
   58    50    90    80   0.77100  1.0 3.0
   58    50    90    91   0.03200  1.0 1.0
   58    50    90    91   0.33800 -1.0 2.0
   58    65    74    75   0.15000  1.0 3.0
   58    65   -74    80   0.56750  1.0 1.0
   58    65   -74    80  -0.07550 -1.0 2.0
   58    65   -74    80   0.20000  1.0 3.0
   58    65    74    83   0.56750  1.0 1.0
   58    65    74    83  -0.07550 -1.0 2.0
   58    65    74    83   0.20000  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    74   0.15000  1.0 3.0
   59    58    68    39   0.37050  1.0 3.0
   65    58    68    39   0.06250  1.0 1.0
   65    58    68    39  -0.01100 -1.0 2.0
   65    58    68    39   0.28050  1.0 3.0
   65    74    80    81   0.15000  1.0 3.0
   65    74    80    82   0.15000  1.0 3.0
   65    74    80    90   1.53400  1.0 1.0
   65    74    80    90  -0.09950 -1.0 2.0
   65    74    80    90   0.05700  1.0 3.0
   65    74    83    84   0.15000  1.0 3.0
   65    74    83    85   0.15000  1.0 3.0
   65    74    83    86   0.15000  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    80   0.15000  1.0 3.0
   66    65    74    83   0.15000  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    80   0.15000  1.0 3.0
   67    65    74    83   0.15000  1.0 3.0
   74    80   -90    50  -0.35450  1.0 1.0
   74    80   -90    50   0.44050 -1.0 2.0
   74    80   -90    50   0.77100  1.0 3.0
   74    80    90    91   0.03200  1.0 1.0
   74    80    90    91   0.33800 -1.0 2.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    90   0.15000  1.0 3.0
   75    74    83    84   0.15000  1.0 3.0
   75    74    83    85   0.15000  1.0 3.0
   75    74    83    86   0.15000  1.0 3.0
   80    74    83    84   0.15000  1.0 3.0
   80    74    83    85   0.15000  1.0 3.0
   80    74    83    86   0.15000  1.0 3.0
   81    80    90    50   0.28000  1.0 3.0
   81    80    90    91   0.20000  1.0 3.0
   82    80    90    50   0.28000  1.0 3.0
   82    80    90    91   0.20000  1.0 3.0
   90    50    58    59   0.15000  1.0 3.0
   90    50   -58    65   1.53400  1.0 1.0
   90    50   -58    65  -0.09950 -1.0 2.0
   90    50   -58    65   0.05700  1.0 3.0
   90    50    58    68   2.34900  1.0 1.0
   90    50    58    68  -0.83700 -1.0 2.0
   83    74    80    81   0.15000  1.0 3.0
   83    74    80    82   0.15000  1.0 3.0
   83    74    80    90   1.53400  1.0 1.0
   83    74    80    90  -0.09950 -1.0 2.0
   83    74    80    90   0.05700  1.0 3.0
   68    39    46    47   0.23400  1.0 3.0
   68    39   -46    50   0.62750  1.0 1.0
   68    39   -46    50  -0.30950 -1.0 2.0
   68    39   -46    50   0.27300  1.0 3.0
   68    39    46    52   0.62750  1.0 1.0
   68    39    46    52  -0.30950 -1.0 2.0
   68    39    46    52   0.27300  1.0 3.0
   68    58    65    66   0.23400  1.0 3.0
   68    58    65    67   0.23400  1.0 3.0
   68    58    65    74   0.62750  1.0 1.0
   68    58    65    74  -0.30950 -1.0 2.0
   68    58    65    74   0.27300  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   0.56750  1.0 1.0
   52    46    50    58  -0.07550 -1.0 2.0
   52    46    50    58   0.20000  1.0 3.0
   52    46    50    90   1.53400  1.0 1.0
   52    46    50    90  -0.09950 -1.0 2.0
   52    46    50    90   0.05700  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    37    63   0.56750  1.0 1.0
   40    33    37    63  -0.07550 -1.0 2.0
   40    33    37    63   0.20000  1.0 3.0
   40    33    39    77   0.56750  1.0 1.0
   40    33    39    77  -0.07550 -1.0 2.0
   40    33    39    77   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    68   0.62750  1.0 1.0
   40    33    39    68  -0.30950 -1.0 2.0
   40    33    39    68   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   37    48    44    45  10.50000 -1.0 2.0
   60    70    69    76   1.10000 -1.0 2.0
   87   102    76    69   1.10000 -1.0 2.0
END
