* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    219    359     668
    1     0 S   NP   _N1_     1    28.58803    93.64106   -21.57484
    2     1 S   H    _HN1     2     1.02950    84.94898    17.23380
    3     1 S   H    _H1_     3     1.02826    29.32341   156.29362
    4     1 S   H    _H2_     4     1.02778    97.82626   -90.73019
    5     1 S   CT   _CA1     5     1.50181   138.29624   132.41566
    6     5 S   HC   _HA1     6     1.09562   105.12169    71.54647
    7     5 S   CO3  _C1_     7     1.53787   112.58802   -48.56146
    8     7 S   O2Z  _O11     8     1.26389   114.93965   -34.71105
    9     7 S   O2Z  _O12     9     1.26230   115.02673   144.38828
   10     5 S   CT   _CB1    10     1.53077   107.39260  -170.28283
   11    10 S   HC   HB11    11     1.09835   109.40932   -46.61828
   12    10 S   HC   HB12    12     1.09820   110.37405    70.00648
   13    10 S   CT   _CG1    13     1.53027   112.76042  -167.51870
   14    13 S   HC   HG11    14     1.09554   110.70910   -67.07741
   15    13 S   HC   HG12    15     1.09662   109.78207    52.21902
   16    13 S   C    _CD1    16     1.51829   112.05011   172.68458
   17    16 S   O    _OE1    17     1.22744   123.16235    10.45052
   18    16 S   N    _N2_    18     1.38634   111.79214  -170.05041
   19    18 S   H    _HN2    19     1.01564   119.03708     1.64342
   20    18 S   CT1  _CA2    20     1.46390   123.37931   178.87639
   21    20 S   HC   _HA2    21     1.09740   109.35872    -2.88303
   22    20 S   C    _C2_    22     1.53436   108.47373  -118.34374
   23    22 S   O    _O2_    23     1.23024   122.38639  -148.47297
   24    20 S   CT   _CB2    32     1.53441   111.36842   119.10658
   25    24 S   HC   HB21    33     1.09208   109.32327    58.89615
   26    24 S   HC   HB22    34     1.09521   110.37612   177.02955
   27    22 S   N    _N3_    24     1.38369   113.51233    38.97668
   28    27 S   H    _HN3    25     1.01611   119.46122    -3.43912
   29    24 S   S    _SG2    35     1.83033   110.37435   -64.12209
   30    27 S   CT   _CA3    26     1.45275   123.25774   177.10430
   31    30 S   HC   HA31    27     1.09548   107.50599   -64.72769
   32    30 S   HC   HA32    28     1.09555   107.99663    51.71994
   33    29 S   CT   _C23    36     1.91103   103.09911   151.29164
   34    30 S   CO3  _C3_    29     1.52963   114.04746   173.70777
   35    34 S   O2Z  _O31    30     1.26380   116.04940    -1.02927
   36    34 S   O2Z  _O32    31     1.26422   114.42371   179.04366
   37    33 S   CM   _C28    37     1.51268   104.51207    55.21044
   38    37 S   HC   _H38    38     1.08966   116.75441   -88.93347
   39    33 S   CT   _C22    95     1.54635   107.81984   -65.84187
   40    39 S   HC   _H32    96     1.09883   109.76744   172.15302
   41    39 S   HC   _H33    97     1.09584   112.22824    58.69562
   42    37 S   CMA  _C27    39     1.35088   124.88549    89.34514
   43    42 S   OM   _O33    40     1.26209   129.23836  -178.72359
   44    42 S   CT   _C26    41     1.53143   119.59511     1.94471
   45    44 S   HC   _H36    42     1.10112   108.51372   121.42600
   46    44 S   HC   _H37    43     1.09994   110.07280  -123.01480
   47    44 S   CT   _C25    44     1.54451   117.29472     0.16551
   48    47 S   HC   _H34    45     1.09697   107.68165   150.97189
   49    47 S   HC   _H35    46     1.09635   109.05012   -95.64222
   50    33 S   CT   _C24    47     1.59213   111.63472   174.16064
   51    50 S   CT   _C19    48     1.57060   108.13642    61.42552
   52    51 S   HC   _H7_    49     1.09097   105.26771   -58.26748
   53    50 S   CT   _C29   106     1.56163   112.74019  -177.58168
   54    53 S   HC   _H39   107     1.09147   113.49569   -59.04194
   55    53 S   HC   _H40   108     1.09584   110.64388  -179.60833
   56    53 S   HC   _H41   109     1.09369   112.89539    61.16073
   57    51 S   CT   _C18    50     1.53862   117.86871  -173.84547
   58    57 S   HC   _H30    51     1.09678   109.66906   -75.67655
   59    57 S   HC   _H31    52     1.09396   110.94837    42.35357
   60    57 S   CT   _C17    53     1.55496   110.53915   163.67425
   61    60 S   HC   _H6_    54     1.09602   107.79860   156.72889
   62    60 S   CT   _C16    55     1.56891   114.42759    33.94843
   63    60 S   OH   _O35   104     1.42939   107.15324   -88.93334
   64    63 S   HO   _H43   105     0.97222   107.74410   -61.33653
   65    62 S   CT   _C15    56     1.55503   107.55544    25.85345
   66    65 S   HC   _H5_    57     1.10554   105.61198    55.90839
   67    62 S   CT   _C30   100     1.55074   113.21083   -99.39115
   68    67 S   HC   _H44   101     1.09450   111.59266   -59.25219
   69    67 S   HC   _H45   102     1.09378   112.23672  -178.40603
   70    67 S   HC   _H46   103     1.09046   113.16137    61.33589
   71    65 S   CT   _C14    58     1.51869   104.78963   165.78728
   72    71 S   HC   _H28    59     1.09471   112.14691  -156.33864
   73    71 S   HC   _H29    60     1.09474   112.19501    82.05784
   74    51 S   CT   _C20    91     1.55899   111.51825    59.44268
   75    74 S   HC   _H8_    92     1.09866   108.15578    57.25741
   76    71 S   CT   _C13    61     1.53076   103.76844   -36.15354
   77    76 S   HC   _H26    62     1.09522   109.35283   132.28601
   78    76 S   HC   _H27    63     1.09611   110.37909  -109.74344
   79    74 S   CT   _C21    93     1.53636   111.50912   -57.06236
   80    79 S   HC   _H9_    94     1.09449   110.05961   -71.92086
   81    62 S   CT   _C12    64     1.57653   114.29847   134.31880
   82    81 S   HC   _H4_    65     1.10106   107.46200   -40.06587
   83    79 S   OH   _O34    98     1.42804   109.67179   170.20917
   84    83 S   HO   _H42    99     0.97229   107.55097   175.59958
   85    81 S   CT   _C5_    66     1.56004   120.21069    82.20085
   86    85 S   HC   _H3_    67     1.09740   108.66815    61.26827
   87    85 S   CT   _C4_    68     1.54039   110.18701   178.12403
   88    87 S   HC   _H10    69     1.09521   111.00730    65.86054
   89    87 S   HC   _H11    70     1.09421   111.41459  -173.36676
   90    87 S   HC   _H12    71     1.09374   112.03527   -54.98911
   91    85 S   CT   _C6_    72     1.54345   112.43100   -58.23364
   92    91 S   HC   _H13    73     1.09695   109.78243   -53.77558
   93    91 S   HC   _H14    74     1.09040   108.75825    63.33516
   94    91 S   CT   _C7_    75     1.53483   114.70453  -177.09391
   95    94 S   HC   _H15    76     1.09533   110.10331    68.16460
   96    94 S   HC   _H16    77     1.09533   109.04413   -49.98669
   97    94 S   CT   _C8_    78     1.53341   111.01797  -171.40696
   98    97 S   HC   _H17    79     1.09759   109.38805    62.58018
   99    97 S   HC   _H18    80     1.09776   108.61712   -53.41912
  100    97 S   CT   _C9_    81     1.53989   113.47820  -174.54648
  101   100 S   HC   _H19    82     1.09737   108.71195    56.45226
  102   100 S   CT   _C10    83     1.52933   112.46133   -63.37876
  103   102 S   HC   _H20    84     1.09523   111.25862   -56.00254
  104   102 S   HC   _H21    85     1.09545   110.75098  -176.06757
  105   102 S   HC   _H22    86     1.09410   111.37207    64.80797
  106   100 S   CT   _C11    87     1.53070   109.79916   174.15950
  107   106 S   HC   _H23    88     1.09539   111.28662    61.95492
  108   106 S   HC   _H24    89     1.09521   110.83449  -177.79203
  109   106 S   HC   _H25    90     1.09516   110.83353   -58.32080
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  23   2   1   1  14   5  14   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  13   6   5  16   6  23   4   1
  19   9   9   3   2   1  11   6   5   7   3   8   4   3   3   2
  11   4   1   1  12   8   7   3   2   1   9   5   4   9   5   4
  12   5   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    79    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    74    79    80    39    40    41    83    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    79    39    40    41    53  
   42    43    44    50    39  
   40    41    83    84    53    42    47    50    51    65    74    75    79    80  
   41    83    50    74    79    80  
   83    50    74    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    74    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    65    74    75    79    53    54    55    56  
   52    57    58    59    60    61    62    65    66    71    74    75    79    80    83    63    53    54    55    56  
   57    58    59    60    65    74    75    79    53  
   54    55    56    57    74  
   55    56  
   56  
    0  
   58    59    60    61    62    65    81    74    75    79    67    63    64  
   59    60    61    62    74    63  
   60    61    62    74    63  
   61    62    65    66    71    76    81    82    85    74    67    68    69    70    63    64  
   62    65    81    67    63    64  
   65    66    71    72    73    76    77    78    81    82    85    86    87    91    74    75    79    67    68    69    70    63    64  
   64    65    67    81  
    0  
   66    71    72    73    76    77    78    81    82    85    74    75    79    80    83    67    68    69    70  
   71    72    73    76    81    74    75    79    67  
   68    69    70    71    74    76    81    82    85  
   69    70    81  
   70    81  
   81  
   72    73    76    77    78    81    82    85    74    75    79  
   73    76    77    78    81    74  
   76    77    78    81    74  
   75    79    80    83    84    76    81  
   79    80    83  
   77    78    81    82    85    86    87    91  
   78    81    82    85  
   81    82    85  
   80    83    84  
   83    84  
   82    85    86    87    88    89    90    91    92    93    94  
   85    86    87    91  
   84  
    0  
   86    87    88    89    90    91    92    93    94    95    96    97  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99   100   101   102   106  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106   107   108   109  
   99   100   101   102   106  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    74   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    65   268.000  1.529
   62    81   268.000  1.529
   62    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    91   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   106   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    39   268.000  1.529
   79    83   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   83    84   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    79    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    74    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    74    65    58.35000  112.70000
   51    74    75    37.50000  110.70000
   51    74    79    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    65    58.35000  112.70000
   60    62    81    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    64    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    71    58.35000  112.70000
   62    65    74    58.35000  112.70000
   62    81    76    58.35000  112.70000
   62    81    82    37.50000  110.70000
   62    81    85    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    85    58.35000  112.70000
   78    76    77    33.00000  107.80000
   81    62    65    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    76    78    37.50000  110.70000
   81    85    86    37.50000  110.70000
   81    85    87    58.35000  112.70000
   81    85    91    58.35000  112.70000
   85    81    82    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    58.35000  112.70000
   87    85    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    85    86    37.50000  110.70000
   91    85    87    58.35000  112.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    58.35000  112.70000
   97   100   106    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   74    51    52    37.50000  110.70000
   74    51    57    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    39    58.35000  112.70000
   74    79    83    50.00000  109.50000
   79    74    75    37.50000  110.70000
   79    39    40    37.50000  110.70000
   79    39    41    37.50000  110.70000
   79    83    84    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    79    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    39    50.00000  109.50000
   67    62    65    58.35000  112.70000
   67    62    81    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
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   86    85    87    90   0.15000  1.0 3.0
   86    85    91    92   0.15000  1.0 3.0
   86    85    91    93   0.15000  1.0 3.0
   86    85    91    94   0.15000  1.0 3.0
   87    85    91    92   0.15000  1.0 3.0
   87    85    91    93   0.15000  1.0 3.0
   87    85    91    94   0.56750  1.0 1.0
   87    85    91    94  -0.07550 -1.0 2.0
   87    85    91    94   0.20000  1.0 3.0
   91    85    87    88   0.15000  1.0 3.0
   91    85    87    89   0.15000  1.0 3.0
   91    85    87    90   0.15000  1.0 3.0
   91    94    97    98   0.15000  1.0 3.0
   91    94    97    99   0.15000  1.0 3.0
   91    94    97   100   0.56750  1.0 1.0
   91    94    97   100  -0.07550 -1.0 2.0
   91    94    97   100   0.20000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    96   0.15000  1.0 3.0
   92    91    94    97   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    96   0.15000  1.0 3.0
   93    91    94    97   0.15000  1.0 3.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.56750  1.0 1.0
   94    97   100   102  -0.07550 -1.0 2.0
   94    97   100   102   0.20000  1.0 3.0
   94    97   100   106   0.56750  1.0 1.0
   94    97   100   106  -0.07550 -1.0 2.0
   94    97   100   106   0.20000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   97   100   102   103   0.15000  1.0 3.0
   97   100   102   104   0.15000  1.0 3.0
   97   100   102   105   0.15000  1.0 3.0
   97   100   106   107   0.15000  1.0 3.0
   97   100   106   108   0.15000  1.0 3.0
   97   100   106   109   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   106   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   106   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
   74    51    57    58   0.15000  1.0 3.0
   74    51    57    59   0.15000  1.0 3.0
   74    51   -57    60   0.56750  1.0 1.0
   74    51   -57    60  -0.07550 -1.0 2.0
   74    51   -57    60   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -39    33   0.56750  1.0 1.0
   74    79   -39    33  -0.07550 -1.0 2.0
   74    79   -39    33   0.20000  1.0 3.0
   74    79    39    40   0.15000  1.0 3.0
   74    79    39    41   0.15000  1.0 3.0
   74    79    83    84  -0.11600  1.0 1.0
   74    79    83    84  -0.09450 -1.0 2.0
   74    79    83    84   0.21250  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    39   0.15000  1.0 3.0
   75    74    79    83   0.23400  1.0 3.0
   80    79    39    33   0.15000  1.0 3.0
   80    79    39    40   0.15000  1.0 3.0
   80    79    39    41   0.15000  1.0 3.0
   80    79    83    84   0.19450  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   39    79    83    84  -0.11600  1.0 1.0
   39    79    83    84  -0.09450 -1.0 2.0
   39    79    83    84   0.21250  1.0 3.0
   83    79    39    33   0.86500  1.0 1.0
   83    79    39    33  -0.17500 -1.0 2.0
   83    79    39    33   0.20800  1.0 3.0
   83    79    39    40   0.23400  1.0 3.0
   83    79    39    41   0.23400  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    71   0.56750  1.0 1.0
   67    62    65    71  -0.07550 -1.0 2.0
   67    62    65    71   0.20000  1.0 3.0
   67    62    65    74   0.56750  1.0 1.0
   67    62    65    74  -0.07550 -1.0 2.0
   67    62    65    74   0.20000  1.0 3.0
   67    62    81    76   0.56750  1.0 1.0
   67    62    81    76  -0.07550 -1.0 2.0
   67    62    81    76   0.20000  1.0 3.0
   67    62    81    82   0.15000  1.0 3.0
   67    62    81    85   0.56750  1.0 1.0
   67    62    81    85  -0.07550 -1.0 2.0
   67    62    81    85   0.20000  1.0 3.0
   63    60    62    65   0.86500  1.0 1.0
   63    60    62    65  -0.17500 -1.0 2.0
   63    60    62    65   0.20800  1.0 3.0
   63    60    62    81   0.86500  1.0 1.0
   63    60    62    81  -0.17500 -1.0 2.0
   63    60    62    81   0.20800  1.0 3.0
   63    60    62    67   0.86500  1.0 1.0
   63    60    62    67  -0.17500 -1.0 2.0
   63    60    62    67   0.20800  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    74   0.56750  1.0 1.0
   53    50    51    74  -0.07550 -1.0 2.0
   53    50    51    74   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
END
