* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    200    325     598
    1     0 S   NP   _N1_     1    28.52796    96.83599   -21.32877
    2     1 S   H    _HN1     2     1.02785    95.30673  -103.55416
    3     1 S   H    _H1_     3     1.02950    74.72993     4.04695
    4     1 S   H    _H2_     4     1.02829    41.03913   145.18375
    5     1 S   CT   _CA1     5     1.50153   147.48088   108.17052
    6     5 S   HC   _HA1     6     1.09566   105.18829    84.50343
    7     5 S   CO3  _C1_     7     1.53837   112.15288   -35.77583
    8     7 S   O2Z  _O11     8     1.26383   114.97865   -46.32448
    9     7 S   O2Z  _O12     9     1.26206   114.98807   132.41697
   10     5 S   CT   _CB1    10     1.53071   107.37028  -157.47652
   11    10 S   HC   HB11    11     1.09835   109.54751   -47.64074
   12    10 S   HC   HB12    12     1.09803   110.47281    69.04115
   13    10 S   CT   _CG1    13     1.52957   112.50085  -168.45462
   14    13 S   HC   HG11    14     1.09567   110.74941   -62.82557
   15    13 S   HC   HG12    15     1.09533   109.56032    56.55278
   16    13 S   C    _CD1    16     1.51714   112.20550   176.55184
   17    16 S   O    _OE1    17     1.22768   123.14570     5.24934
   18    16 S   N    _N2_    18     1.38644   111.78867  -174.82820
   19    18 S   H    _HN2    19     1.01742   119.16725     2.22642
   20    18 S   CT1  _CA2    20     1.46203   123.13029   179.25743
   21    20 S   HC   _HA2    21     1.09703   109.00771     4.38776
   22    20 S   C    _C2_    22     1.53661   109.73689  -111.67222
   23    22 S   O    _O2_    23     1.23123   121.82076  -161.42854
   24    20 S   CT   _CB2    32     1.53636   112.05992   126.03075
   25    24 S   HC   HB21    33     1.09184   109.19438    67.56879
   26    24 S   HC   HB22    34     1.09575   109.56346  -174.88327
   27    22 S   N    _N3_    24     1.38191   114.38452    24.55009
   28    27 S   H    _HN3    25     1.01580   119.40006    -2.53528
   29    24 S   S    _SG2    35     1.83439   111.50967   -55.19117
   30    27 S   CT   _CA3    26     1.45236   123.28962   178.49624
   31    30 S   HC   HA31    27     1.09536   107.61298   -65.15129
   32    30 S   HC   HA32    28     1.09567   107.88805    51.30157
   33    29 S   CT   _C20    36     1.88234   103.63637   163.57393
   34    33 S   OM   _O36    37     1.31982   111.60920    30.33165
   35    30 S   CO3  _C3_    29     1.52933   114.02922   173.45515
   36    35 S   O2Z  _O31    30     1.26365   116.06393     8.61183
   37    35 S   O2Z  _O32    31     1.26421   114.44330  -171.40310
   38    33 S   CM   _C21    38     1.53876   105.34210   -88.48070
   39    38 S   CMA  _C22    39     1.36092   126.83630  -103.17703
   40    39 S   OM   _O34    40     1.27198   129.41344   176.64450
   41    38 S   C    _C23    86     1.51271   118.70321    76.15080
   42    41 S   O    _O35    87     1.22804   121.94527    77.97903
   43    39 S   CT   _C15    41     1.55943   119.58934    -1.33925
   44    41 S   N    _N4_    88     1.38441   112.85193  -101.61819
   45    44 S   H    _H14    89     1.01419   119.36567    -2.45168
   46    43 S   CM   _C14    42     1.54452   113.99413  -111.20979
   47    43 S   CT   _C16    63     1.57293   114.96612    13.97642
   48    47 S   HC   _H3_    64     1.09933   107.12208    75.52202
   49    43 S   OH   _O37    84     1.45176   107.31270   130.37958
   50    49 S   HO   _H31    85     0.97450   106.05846    33.08467
   51    44 S   CT   _C24    90     1.44327   121.71043   176.10565
   52    51 S   HC   _H15    91     1.09679   106.60344   -55.47187
   53    51 S   HC   _H16    92     1.09669   109.02508    60.47838
   54    46 S   CM   _C13    43     1.35024   119.37096   175.75462
   55    33 S   CT   _C19    65     1.59653   111.36108   150.90068
   56    55 S   HC   _H5_    66     1.10391   106.24560  -176.83764
   57    46 S   OH   _O38    82     1.38248   116.82547     1.89445
   58    57 S   HO   _H32    83     0.97214   108.90896  -176.59412
   59    51 S   NT   _N5_    93     1.45681   109.56627  -175.03103
   60    54 S   CO4  _C12    44     1.48566   120.33867  -168.81121
   61    60 S   O    _O33    45     1.22486   122.70253   -33.33470
   62    55 S   NT   _N6_    67     1.49215   120.41914   -59.65557
   63    59 S   CT   _C25    94     1.46461   111.46567   168.45464
   64    63 S   HC   _H17    95     1.09763   111.72651    48.54981
   65    63 S   HC   _H18    96     1.09450   112.15605   -73.90036
   66    60 S   CA   _C11    46     1.48151   116.24703   143.56715
   67    62 S   CT   _C29    68     1.45228   118.86021    65.25498
   68    67 S   HC   _H25    69     1.09666   109.55705   158.97100
   69    67 S   HC   _H26    70     1.09368   112.60734    41.68629
   70    67 S   HC   _H27    71     1.09398   112.68451   -82.30796
   71    62 S   CT   _C30    72     1.45712   115.30479   -71.06414
   72    71 S   HC   _H28    73     1.09635   110.02694  -161.83494
   73    71 S   HC   _H29    74     1.09440   112.71085    78.36667
   74    71 S   HC   _H30    75     1.09546   111.49892   -44.49227
   75    63 S   CT   _C26    97     1.51699   102.49923   166.34264
   76    75 S   HC   _H19    98     1.09422   112.17366  -154.35551
   77    75 S   HC   _H20    99     1.09638   110.45981    85.30019
   78    66 S   CA   _C6_    47     1.40687   119.13713    28.35908
   79    75 S   CT   _C27   100     1.52276   104.56773   -32.63117
   80    79 S   HC   _H21   101     1.09454   110.13563   131.11163
   81    79 S   HC   _H22   102     1.09528   111.12705  -109.48327
   82    78 S   CA   _C7_    48     1.40560   118.57667  -179.07001
   83    82 S   HA   _H9_    49     1.08740   120.67194  -178.68166
   84    78 S   CT   _C5_    57     1.51955   119.95031     5.29661
   85    59 S   CT   _C28   103     1.46719   113.08062   -73.52539
   86    85 S   HC   _H23   104     1.09459   111.98408    80.88813
   87    85 S   HC   _H24   105     1.09753   111.78010   -40.83539
   88    82 S   CA   _C8_    50     1.39552   120.93385     0.48457
   89    88 S   HA   _H10    51     1.08638   119.91772   179.88809
   90    54 S   CT   _C18    58     1.50564   119.16088     0.94460
   91    90 S   HC   _H4_    59     1.09775   109.22489    64.16138
   92    84 S   CT   _C4_    76     1.54188   108.16396    82.94568
   93    92 S   HC   _H6_    77     1.09636   110.81576   177.09842
   94    92 S   HC   _H7_    78     1.09699   110.91050    59.53034
   95    92 S   HC   _H8_    79     1.09500   112.65237   -61.57359
   96    84 S   OH   _O40    80     1.43173   110.24100  -160.82398
   97    96 S   HO   _H34    81     0.97270   107.90971  -178.60058
   98    88 S   CA   _C9_    52     1.39131   120.08593    -0.78932
   99    98 S   HA   _H11    53     1.08660   119.74274  -179.59170
  100    90 S   CT   _C17    60     1.54151   106.31084   -50.64416
  101   100 S   HC   _H12    61     1.09730   109.73067   172.21371
  102   100 S   HC   _H13    62     1.09672   107.44912   -72.95481
  103    66 S   CA   _C10    54     1.40311   120.72943  -151.06039
  104   103 S   OH   _O39    55     1.36880   123.31193    -0.81924
  105   104 S   HO   _H33    56     0.97356   108.93309    -5.06372
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  14  14   5   9   3  16   7   4  15  16   8
   5   1  11   4   3  15  14   4   3   1  12  11   4   9  11   6
   5  13   7   3   2   1   3   2   1   1   8   5   4  17   5   4
   3  10   4  13   2   1   1   5   3  10   5   6   3   2   1   2
   1   4   2   2   1   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    56    62    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43   100    47    48    55    56    62    67    71    41    42    44  
   38    39    47    55    56    62    41  
   36    37  
   37  
    0  
   39    40    43    46    47    55    56    62    49    41    42    44    45    51  
   40    43    46    54   100    47    48    55    57    49    50    41    42    44  
   43    46    47    49    41  
   42    44    45    51    52    53    59    43    55  
   44    45    51  
   46    54    60    90   100   101   102    47    48    55    56    62    57    58    49    50  
   45    51    52    53    59    63    85  
   51    52    53    59  
   54    60    61    66    84    90    91   100    47    48    55    57    58    49    50  
   48    55    56    62    67    71    57    49    50    54    84    90    91   100   101   102  
   55    56    62    49    90   100   101   102  
   50    54    55    57   100  
    0  
   52    53    59    63    64    65    75    79    85    86    87  
   53    59    63    85  
   59    63    85  
   60    61    66    78   103    84    90    91   100   101   102    92    96    57    58  
   56    62    67    68    69    70    71    72    73    74    90   100   101   102  
   62    67    71   100  
   58    60    90  
    0  
   63    64    65    75    76    77    79    80    81    85    86    87  
   61    66    78    82    98   103   104    84    90    91   100  
   66    78   103    90  
   67    68    69    70    71    72    73    74   100  
   64    65    75    76    77    79    80    81    85    86    87  
   65    75    76    77    79    85  
   75    76    77    79    85  
   78    82    83    88    98    99   103   104   105    84    90    92    96  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    77    79    80    81    85    86    87  
   77    79    80    81    85  
   79    80    81    85  
   82    83    88    89    98   103   104    84    90    91   100    92    93    94    95    96    97  
   80    81    85    86    87  
   81    85    86    87  
   85    86    87  
   83    88    89    98    99   103    84    90    92    96  
   88    89    98    84  
   90    91   100   101   102    92    93    94    95    96    97    88   103  
   86    87  
   87  
    0  
   89    98    99   103   104  
   98    99   103  
   91   100   101   102    92    93    94    95    96    97  
  100   101   102    92    96  
   93    94    95    96    97   100  
   94    95    96  
   95    96  
   96  
   97   100  
    0  
   99   103   104   105  
  103   104  
  101   102  
  102  
    0  
  104   105  
  105  
    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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.090000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  104   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  105   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   465.000  1.376
   38    41   410.000  1.444
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    46   317.000  1.510
   43    47   268.000  1.529
   43    49   320.000  1.410
   46    54   549.000  1.340
   46    57   510.000  1.338
   54    60   320.000  1.462
   54    90   317.000  1.510
   60    61   570.000  1.229
   60    66   310.000  1.470
   66    78   469.000  1.400
   66   103   469.000  1.400
   78    82   469.000  1.400
   78    84   317.000  1.510
   82    83   367.000  1.080
   82    88   469.000  1.400
   88    89   367.000  1.080
   88    98   469.000  1.400
   98    99   367.000  1.080
   98   103   469.000  1.400
  103   104   450.000  1.364
  104   105   553.000  0.945
   84    90   268.000  1.529
   84    92   268.000  1.529
   84    96   320.000  1.410
   90    91   340.000  1.090
   90   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100    47   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    62   382.000  1.448
   62    67   382.000  1.448
   62    71   382.000  1.448
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   553.000  0.945
   57    58   553.000  0.945
   49    50   553.000  0.945
   41    42   570.000  1.229
   41    44   490.000  1.335
   44    45   434.000  1.010
   44    51   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   382.000  1.448
   59    63   382.000  1.448
   59    85   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  119.70000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    80.00000  125.30000
   38    41    44    80.00000  111.56200
   39    43    46    70.00000  110.12100
   39    43    47    70.00000  112.02700
   39    43    49    90.00000  110.39200
   43    39    40    85.00000  112.85300
   43    46    54    70.00000  124.00000
   43    46    57    90.00000  109.34000
   43    47   100    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    55    58.35000  112.70000
   43    49    50    55.00000  108.50000
   46    54    60    65.00000  118.96000
   46    54    90    70.00000  124.00000
   46    57    58    70.00000  107.45700
   54    60    61    80.00000  123.72100
   54    60    66    65.00000  117.02400
   54    90    84    70.00000  112.02700
   54    90    91    35.00000  109.50000
   54    90   100    70.00000  112.02700
   60    66    78    60.00000  119.52600
   60    66   103    60.00000  119.52600
   66    60    61    75.00000  123.78400
   66    78    82    63.00000  120.00000
   66    78    84    70.00000  120.00000
   66   103    98    63.00000  120.00000
   66   103   104    70.00000  120.00000
   78    82    83    35.00000  120.00000
   78    82    88    63.00000  120.00000
   78    84    90    70.00000  112.17500
   78    84    92    70.00000  112.17500
   78    84    96    90.00000  112.51600
   82    88    89    35.00000  120.00000
   82    88    98    63.00000  120.00000
   88    82    83    35.00000  120.00000
   88    98    99    35.00000  120.00000
   88    98   103    63.00000  120.00000
   98    88    89    35.00000  120.00000
   98   103   104    70.00000  120.00000
  103    66    78    63.00000  120.00000
  103    98    99    35.00000  120.00000
  103   104   105    35.00000  113.00000
   84    78    82    70.00000  120.00000
   84    90    91    37.50000  110.70000
   84    90   100    58.35000  112.70000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    37.50000  110.70000
   84    96    97    55.00000  108.50000
   90    54    60    65.00000  116.34900
   90   100   101    37.50000  110.70000
   90   100   102    37.50000  110.70000
   90   100    47    58.35000  112.70000
  100    90    91    37.50000  110.70000
  100    47    48    37.50000  110.70000
  100    47    55    58.35000  112.70000
  102   100   101    33.00000  107.80000
   47    43    46    70.00000  112.02700
   47   100   101    37.50000  110.70000
   47   100   102    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    62    56.20000  109.47000
   55    33    34    50.00000  109.50000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    62    67    51.80000  107.20000
   55    62    71    51.80000  107.20000
   62    55    56    35.00000  109.50000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   62    71    72    35.00000  109.50000
   62    71    73    35.00000  109.50000
   62    71    74    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    62    67    51.80000  107.20000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   92    84    90    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    84    90    50.00000  109.50000
   96    84    92    50.00000  109.50000
   57    46    54    80.00000  121.38400
   49    43    46    90.00000  110.39200
   49    43    47    50.00000  109.50000
   41    38    39    60.00000  120.04000
   41    44    45    35.00000  119.80000
   41    44    51    50.00000  121.90000
   44    41    42    80.00000  122.90000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    59    80.00000  116.76000
   51    44    45    38.00000  118.40000
   51    59    63    51.80000  107.20000
   51    59    85    51.80000  107.20000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    75    56.20000  109.47000
   59    85    79    56.20000  109.47000
   59    85    86    35.00000  109.50000
   59    85    87    35.00000  109.50000
   63    75    76    37.50000  110.70000
   63    75    77    37.50000  110.70000
   63    75    79    58.35000  112.70000
   65    63    64    33.00000  107.80000
   75    63    64    37.50000  110.70000
   75    63    65    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    85    58.35000  112.70000
   77    75    76    33.00000  107.80000
   79    75    76    37.50000  110.70000
   79    75    77    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   81    79    80    33.00000  107.80000
   85    59    63    51.80000  107.20000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   87    85    86    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
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
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   63    59   -85    79   0.25250  1.0 3.0
   63    59    85    86   0.28000  1.0 3.0
   63    59    85    87   0.28000  1.0 3.0
   63    75    79    80   0.15000  1.0 3.0
   63    75    79    81   0.15000  1.0 3.0
   63    75   -79    85   0.56750  1.0 1.0
   63    75   -79    85  -0.07550 -1.0 2.0
   63    75   -79    85   0.20000  1.0 3.0
   64    63    75    76   0.15000  1.0 3.0
   64    63    75    77   0.15000  1.0 3.0
   64    63    75    79   0.15000  1.0 3.0
   65    63    75    76   0.15000  1.0 3.0
   65    63    75    77   0.15000  1.0 3.0
   65    63    75    79   0.15000  1.0 3.0
   75    79   -85    59   1.53400  1.0 1.0
   75    79   -85    59  -0.09950 -1.0 2.0
   75    79   -85    59   0.05700  1.0 3.0
   75    79    85    86   0.15000  1.0 3.0
   75    79    85    87   0.15000  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    85   0.15000  1.0 3.0
   77    75    79    80   0.15000  1.0 3.0
   77    75    79    81   0.15000  1.0 3.0
   77    75    79    85   0.15000  1.0 3.0
   80    79    85    59   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   81    79    85    59   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   85    59    63    64   0.28000  1.0 3.0
   85    59    63    65   0.28000  1.0 3.0
   85    59   -63    75   0.23450  1.0 1.0
   85    59   -63    75   0.02050 -1.0 2.0
   85    59   -63    75   0.25250  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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    57    46    54   1.10000 -1.0 2.0
   60    90    54    46   1.10000 -1.0 2.0
   54    66    60    61  10.50000 -1.0 2.0
   78   103    66    60   4.00000 -1.0 2.0
   82    84    78    66   4.00000 -1.0 2.0
   88    83    82    78   1.10000 -1.0 2.0
   98    89    88    82   1.10000 -1.0 2.0
  103    99    98    88   1.10000 -1.0 2.0
   98   104   103    66   4.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
   45    41    44    51   1.00000 -1.0 2.0
END
