* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    208    328     617
    1     0 S   NP   _N1_     1    28.86029    93.62783   -25.27965
    2     1 S   H    _HN1     2     1.02959    82.22362    30.71540
    3     1 S   H    _H1_     3     1.02834    24.84329  -151.24998
    4     1 S   H    _H2_     4     1.02780   116.34927   -75.93739
    5     1 S   CT   _CA1     5     1.50142   122.14109   139.93122
    6     5 S   HC   _HA1     6     1.09579   105.18833    83.93735
    7     5 S   CO3  _C1_     7     1.53767   112.37799   -36.17469
    8     7 S   O2Z  _O11     8     1.26362   114.99728   -43.57245
    9     7 S   O2Z  _O12     9     1.26240   114.91431   135.43500
   10     5 S   CT   _CB1    10     1.53082   107.40211  -158.22450
   11    10 S   HC   HB11    11     1.09829   109.22839   -50.86272
   12    10 S   HC   HB12    12     1.09816   110.45833    65.65654
   13    10 S   CT   _CG1    13     1.53026   112.72975  -171.96469
   14    13 S   HC   HG11    14     1.09594   110.47357   -65.75412
   15    13 S   HC   HG12    15     1.09661   109.93148    53.47365
   16    13 S   C    _CD1    16     1.51847   112.28132   173.74066
   17    16 S   O    _OE1    17     1.22731   123.22777     0.50513
   18    16 S   N    _N2_    18     1.38635   111.68949  -179.11221
   19    18 S   H    _HN2    19     1.01569   119.07084     0.85065
   20    18 S   CT1  _CA2    20     1.46208   123.42025   178.91034
   21    20 S   HC   _HA2    21     1.09750   109.33383    -0.11191
   22    20 S   C    _C2_    22     1.53590   108.87610  -115.57463
   23    22 S   O    _O2_    23     1.23063   122.13256  -147.94735
   24    20 S   CT   _CB2    32     1.53469   111.62098   121.77402
   25    24 S   HC   HB21    33     1.09564   109.76143    55.38511
   26    24 S   HC   HB22    34     1.09237   109.62171   174.00292
   27    22 S   N    _N3_    24     1.38478   113.68266    39.66298
   28    27 S   H    _HN3    25     1.01479   118.97200    -0.72145
   29    24 S   S    _SG2    35     1.83371   111.14478   -65.33461
   30    27 S   CT   _CA3    26     1.45446   123.47971   175.06009
   31    30 S   HC   HA31    27     1.09520   109.34349    23.49332
   32    30 S   HC   HA32    28     1.09502   107.12569   140.48819
   33    29 S   CT   _C23    36     1.88734   102.21680  -169.61138
   34    33 S   OM   _O38    37     1.32104   107.39005   -53.83727
   35    30 S   CO3  _C3_    29     1.52900   112.91070  -100.04697
   36    35 S   O2Z  _O31    30     1.26418   115.29265   -48.32804
   37    35 S   O2Z  _O32    31     1.26339   115.06590   132.55263
   38    33 S   CT   _C24    38     1.56545   111.54750    64.82455
   39    38 S   HC   _H6_    39     1.10211   108.94020   -77.91932
   40    38 S   CO4  _C25    40     1.53766   114.41981   166.49959
   41    40 S   O    _O36    41     1.23623   118.68697   176.85863
   42    38 S   C    _C26   107     1.53805   113.50147    41.87682
   43    42 S   O    _O37   108     1.22858   123.42762    63.99065
   44    40 S   CT   _C17    42     1.53950   119.16666    -3.32625
   45    42 S   N    _N6_   109     1.37606   114.10309  -117.90438
   46    45 S   H    _H23   110     1.01404   122.91176     0.52860
   47    45 S   H    _H24   111     1.01376   120.21613  -179.54415
   48    44 S   CM   _C16    43     1.52768   109.31816  -168.16469
   49    44 S   CT   _C18    90     1.54937   110.88809   -43.01092
   50    49 S   HC   _H3_    91     1.09628   106.24502   164.35043
   51    44 S   OH   _O39   105     1.42758   108.91758    77.19858
   52    51 S   HO   _H31   106     0.97427   108.30294   -65.28493
   53    48 S   CM   _C15    44     1.35094   123.53687   111.28704
   54    33 S   CT   _C22    92     1.58842   107.79029  -173.97370
   55    54 S   HC   _H5_    93     1.10013   101.56384   -54.83311
   56    48 S   OH   _O40   103     1.38824   113.23308   -70.50593
   57    56 S   HO   _H32   104     0.97255   108.94702  -178.71336
   58    53 S   CO4  _C14    45     1.49973   121.24146   177.03311
   59    58 S   O    _O35    46     1.22703   121.85764    -6.16224
   60    54 S   NT   _N7_    94     1.49733   114.90093    55.72633
   61    58 S   CA   _C12    47     1.49124   118.40547   174.44663
   62    60 S   CT   _C27    95     1.46235   113.20679  -146.96517
   63    62 S   HC   _H25    96     1.09619   110.30308   169.56657
   64    62 S   HC   _H26    97     1.09545   111.29671    52.07999
   65    62 S   HC   _H27    98     1.09474   112.31433   -70.13570
   66    60 S   CT   _C28    99     1.46115   116.51966    84.46465
   67    66 S   HC   _H28   100     1.09674   109.53966  -167.16983
   68    66 S   HC   _H29   101     1.09482   112.97858    73.60866
   69    66 S   HC   _H30   102     1.09119   113.16317   -49.62779
   70    61 S   CA   _C11    48     1.40880   119.76267   -16.55424
   71    70 S   CA   _C10    49     1.41759   119.99515  -177.56941
   72    70 S   CT   _C21    82     1.51192   119.21315     1.30176
   73    72 S   HC   _H21    83     1.09631   110.61396   155.53178
   74    72 S   HC   _H22    84     1.09780   108.41824   -86.76575
   75    71 S   CA   _C9_    50     1.41052   118.80568    -1.91755
   76    75 S   HA   _H17    51     1.08417   117.84737   179.37442
   77    71 S   NE   _N8_    73     1.40330   120.70342   177.03733
   78    53 S   CT   _C20    85     1.50245   122.49529    -1.34305
   79    78 S   HC   _H4_    86     1.10009   107.27807   103.00483
   80    75 S   CA   _C8_    52     1.39573   121.67938     0.90504
   81    77 S   CT   _C29    74     1.45884   114.98740   -80.95570
   82    81 S   HC   _H33    75     1.09539   110.26022   168.85003
   83    81 S   HC   _H34    76     1.09482   112.12387    49.56367
   84    81 S   HC   _H35    77     1.09585   110.68287   -71.63980
   85    77 S   CT   _C30    78     1.45704   118.04072   134.58465
   86    85 S   HC   _H36    79     1.09547   109.95999  -162.88939
   87    85 S   HC   _H37    80     1.09522   111.57101    77.59473
   88    85 S   HC   _H38    81     1.09579   111.17470   -44.41226
   89    78 S   CT   _C19    87     1.53326   112.76051   -15.70138
   90    89 S   HC   _H19    88     1.09518   108.52882   168.98133
   91    89 S   HC   _H20    89     1.09692   109.71538   -75.32748
   92    61 S   CA   _C13    53     1.40584   120.65435   164.33475
   93    80 S   N    _N5_    56     1.41755   123.89979  -179.97202
   94    93 S   H    _H16    57     1.01841   113.90880  -179.37193
   95    92 S   OH   _O34    54     1.37527   122.45894    -1.52046
   96    95 S   HO   _H18    55     0.97373   109.12813     4.01786
   97    93 S   C    _C7_    58     1.38719   128.00111     0.71628
   98    97 S   O    _O33    59     1.22787   127.56973    -0.92620
   99    97 S   CT1  _C6_    60     1.51823   111.70962   179.81233
  100    99 S   HC   _H14    61     1.09529   107.80057    91.90493
  101    99 S   HC   _H15    62     1.09474   112.44043   -29.22470
  102    99 S   NP   _N4_    63     1.51749   111.73316  -150.18043
  103   102 S   H    _H10    64     1.03017   106.66161   -46.06012
  104   102 S   CT   _C4_    65     1.50507   112.70510    71.00631
  105   104 S   HC   _H7_    66     1.09327   108.58212    62.96287
  106   104 S   HC   _H8_    67     1.09324   107.99067  -176.67157
  107   104 S   HC   _H9_    68     1.09249   108.57901   -57.80210
  108   102 S   CT   _C5_    69     1.50312   111.79015  -162.53562
  109   108 S   HC   _H11    70     1.09325   108.58154   -62.48053
  110   108 S   HC   _H12    71     1.09314   108.10361    58.10754
  111   108 S   HC   _H13    72     1.09318   108.12317   176.90782
  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
  17   8   2   1   1  15   7  14   5   6   3  16   2   1   1  15
  16   8   5   1  15  14   4   3   1  11   4   9  13   7   3   2
   1   3   2   1   1  15  18  10   4   3  10   4   9   4   3   8
   7   3   2   1   3   2   1   1   2   1   1   5   8   3   1   1
   8   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    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    49    54    55    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    89    49    50    54    55    60    62    66    42    43    45  
   38    39    40    49    54    55    60    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    54    55    60    51    42    43    45    46    47  
   40    41    44    54    42    43    45  
   41    44    48    53    89    49    50    54    56    51    52    42    43    45  
   44    48    49    51    42  
   43    45    46    47    44    54  
   45    46    47  
   48    53    58    78    89    90    91    49    50    54    55    60    56    57    51    52  
   46    47  
   47  
    0  
   53    58    59    61    72    78    79    89    49    50    54    56    57    51    52  
   50    54    55    60    62    66    56    51    52    53    72    78    79    89    90    91  
   54    55    60    51    78    89    90    91  
   52    53    54    56    89  
    0  
   58    59    61    70    92    72    73    74    78    79    89    90    91    56    57  
   55    60    62    63    64    65    66    67    68    69    78    89    90    91  
   60    62    66    89  
   57    58    78  
    0  
   59    61    70    71    80    92    95    72    78    79    89  
   61    70    92    78  
   62    63    64    65    66    67    68    69    89  
   70    71    75    80    92    95    96    93    77    72    73    74    78  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    75    76    80    92    95    77    81    85    72    73    74    78    79    89  
   75    76    80    92    93    77    81    82    83    84    85    86    87    88    72    73    74    78  
   73    74    78    79    89    90    91    75    77    92  
   74    78    79    89  
   78    79    89  
   76    80    92    95    93    94    97    77    81    85  
   80    92    93    77  
   81    82    83    84    85    86    87    88    80  
   79    89    90    91  
   89    90    91  
   92    95    96    93    94    97    98    99  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91  
   91  
    0  
   95    96    93    94    97  
   94    97    98    99   100   101   102    95  
   97    98    99  
   96  
    0  
   98    99   100   101   102   103   104   108  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   94   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   99   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
  103   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.6450   1.4500   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    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   570.000  1.307
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    48   317.000  1.510
   44    49   268.000  1.529
   44    51   320.000  1.410
   48    53   549.000  1.340
   48    56   510.000  1.338
   53    58   320.000  1.462
   53    78   317.000  1.510
   58    59   570.000  1.229
   58    61   310.000  1.470
   61    70   469.000  1.400
   61    92   469.000  1.400
   70    71   469.000  1.400
   70    72   317.000  1.510
   71    75   469.000  1.400
   71    77   481.000  1.340
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    92   469.000  1.400
   80    93   360.000  1.404
   92    95   450.000  1.364
   95    96   553.000  0.945
   93    94   434.000  1.010
   93    97   490.000  1.335
   97    98   570.000  1.229
   97    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   367.000  1.471
  102   103   434.000  1.010
  102   104   367.000  1.471
  102   108   367.000  1.471
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   77    81   382.000  1.448
   77    85   382.000  1.448
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    49   268.000  1.529
   49    50   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    60   382.000  1.448
   60    62   382.000  1.448
   60    66   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   56    57   553.000  0.945
   51    52   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    54    49    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    60    56.20000  109.47000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    80.00000  120.40000
   38    42    45    70.00000  116.60000
   40    38    39    35.00000  109.50000
   40    44    48    70.00000  109.06800
   40    44    49    63.00000  111.10000
   40    44    51    90.00000  109.61100
   44    40    41    80.00000  120.40000
   44    48    53    70.00000  124.00000
   44    48    56    90.00000  109.34000
   44    49    89    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    54    58.35000  112.70000
   44    51    52    55.00000  108.50000
   48    53    58    65.00000  118.96000
   48    53    78    70.00000  124.00000
   48    56    57    70.00000  107.45700
   53    58    59    80.00000  123.72100
   53    58    61    65.00000  117.02400
   53    78    72    70.00000  112.02700
   53    78    79    35.00000  109.50000
   53    78    89    70.00000  112.02700
   58    61    70    60.00000  119.52600
   58    61    92    60.00000  119.52600
   61    58    59    75.00000  123.78400
   61    70    71    63.00000  120.00000
   61    70    72    70.00000  120.00000
   61    92    80    63.00000  120.00000
   61    92    95    70.00000  120.00000
   70    71    75    63.00000  120.00000
   70    71    77    70.00000  120.10000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    78    70.00000  112.17500
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    77    81    50.00000  120.00000
   71    77    85    50.00000  120.00000
   75    80    92    63.00000  120.00000
   75    80    93    70.00000  119.01900
   80    75    76    35.00000  120.00000
   80    92    95    70.00000  120.00000
   80    93    94    45.00000  118.23600
   80    93    97    65.00000  121.96500
   92    61    70    63.00000  120.00000
   92    95    96    35.00000  113.00000
   93    80    92    70.00000  119.01900
   93    97    98    80.00000  122.90000
   93    97    99    70.00000  116.60000
   97    93    94    35.00000  119.80000
   97    99   100    35.00000  109.50000
   97    99   101    35.00000  109.50000
   97    99   102    80.00000  111.20000
   99    97    98    80.00000  120.40000
   99   102   103    35.00000  109.50000
   99   102   104    75.00000  113.01200
   99   102   108    75.00000  113.01200
  101    99   100    33.00000  107.80000
  102    99   100    35.00000  109.50000
  102    99   101    35.00000  109.50000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  102   108   109    35.00000  109.50000
  102   108   110    35.00000  109.50000
  102   108   111    35.00000  109.50000
  104   102   103    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    35.00000  109.50000
  108   102   104    75.00000  113.01200
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   77    71    75    70.00000  120.10000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    88    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    77    81    50.00000  115.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    78    79    37.50000  110.70000
   72    78    89    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    53    58    65.00000  116.34900
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    49    58.35000  112.70000
   89    78    79    37.50000  110.70000
   89    49    50    37.50000  110.70000
   89    49    54    58.35000  112.70000
   91    89    90    33.00000  107.80000
   49    44    48    70.00000  112.02700
   49    89    90    37.50000  110.70000
   49    89    91    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    60    56.20000  109.47000
   54    33    34    50.00000  109.50000
   54    33    38    58.35000  112.70000
   54    49    50    37.50000  110.70000
   54    60    62    51.80000  107.20000
   54    60    66    51.80000  107.20000
   60    54    55    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    60    62    51.80000  107.20000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   56    48    53    80.00000  121.38400
   51    44    48    90.00000  110.39200
   51    44    49    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  107.85200
   42    45    46    35.00000  119.80000
   42    45    47    35.00000  119.80000
   45    42    43    80.00000  122.90000
   47    45    46    35.00000  120.00000
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
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   54    60    66    68   0.28000  1.0 3.0
   54    60    66    69   0.28000  1.0 3.0
   55    54    60    62   0.28000  1.0 3.0
   55    54    60    66   0.28000  1.0 3.0
   62    60    66    67   0.28000  1.0 3.0
   62    60    66    68   0.28000  1.0 3.0
   62    60    66    69   0.28000  1.0 3.0
   66    60    62    63   0.28000  1.0 3.0
   66    60    62    64   0.28000  1.0 3.0
   66    60    62    65   0.28000  1.0 3.0
   56    48    53    58   7.00000 -1.0 2.0
   56    48    53    78   7.00000 -1.0 2.0
   51    44    48    53   0.67800  1.0 1.0
   51    44    48    53   0.47050 -1.0 2.0
   51    44    48    53  -0.62500  1.0 3.0
   51    44    48    56   0.09700  1.0 1.0
   51    44    48    56   0.15600 -1.0 2.0
   51    44    48    56  -0.50800  1.0 3.0
   51    44    49    89   0.86500  1.0 1.0
   51    44    49    89  -0.17500 -1.0 2.0
   51    44    49    89   0.20800  1.0 3.0
   51    44    49    50   0.23400  1.0 3.0
   51    44    49    54   0.86500  1.0 1.0
   51    44    49    54  -0.17500 -1.0 2.0
   51    44    49    54   0.20800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.65300  1.0 1.0
   42    38    40    44  -0.03850 -1.0 2.0
   42    38    40    44   0.33900  1.0 3.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    47   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   44    56    48    53   1.10000 -1.0 2.0
   58    78    53    48   1.10000 -1.0 2.0
   53    61    58    59  10.50000 -1.0 2.0
   70    92    61    58   4.00000 -1.0 2.0
   71    72    70    61   4.00000 -1.0 2.0
   75    77    71    70   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   92    93    80    75   4.00000 -1.0 2.0
   80    95    92    61   4.00000 -1.0 2.0
   94    97    93    80   1.00000 -1.0 2.0
   93    99    97    98  10.50000 -1.0 2.0
   85    71    77    81   1.00000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
END
