* LIGAND DATABASE FILE (OPLS2005)
*
001     115   117    213    333     630
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02097    74.14912   -91.58843
    3     1 S   H    _H1_     3     1.02140   102.09993    14.67940
    4     1 S   H    _H2_     4     1.02122    39.97782   119.45121
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08583   110.55165    58.73304
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.84466    97.43051  -158.14558
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.51538   107.89878   159.99324
   38    33 S   OH   _O36   114     1.43244   109.44969    41.84177
   39    38 S   HO   _H17   115     0.96860   106.22081   177.64449
   40    37 S   CO4  _C20    38     1.50215   119.63939   100.76878
   41    40 S   O    _O35    39     1.23343   120.59272   166.03944
   42    37 S   CMA  _C13   101     1.34431   123.76793   -82.45485
   43    42 S   OM   _O34   102     1.26851   128.94127  -176.83987
   44    40 S   CT   _C8_    40     1.53211   118.84614   -16.17421
   45    42 S   CA   _C14   103     1.49462   111.28304     3.11747
   46    44 S   CO4  _C9_    41     1.52747   114.69799    20.40421
   47    46 S   O    _O33    42     1.23245   121.37808  -167.58341
   48    44 S   CT   _C7_    73     1.53707   108.70570   139.80210
   49    48 S   HC   _H9_    74     1.08340   107.23004   -59.95421
   50    48 S   HC   _H10    75     1.08697   106.69570    54.21526
   51    44 S   CT   _C31    87     1.53476   107.50396  -101.16072
   52    51 S   HC   _H33    88     1.08154   107.02061    79.95739
   53    51 S   HC   _H34    89     1.08500   106.50554  -165.82109
   54    45 S   CA   _C15   104     1.39505   120.00034    90.03311
   55    54 S   HA   _H12   105     1.08635   120.87332    -0.03426
   56    33 S   CT   _C10    43     1.54292   112.73469   -76.91630
   57    56 S   HC   _H11    44     1.09382   108.47478   180.00000
   58    48 S   CM   _C6_    76     1.48918   113.11349   174.48257
   59    58 S   HC   _H8_    77     1.08948   114.42501    59.30992
   60    51 S   CM   _C32    90     1.48747   112.92736   -45.53830
   61    60 S   HC   _H35    91     1.08918   114.51592   -61.09919
   62    54 S   CA   _C16   106     1.39512   119.97970   179.98022
   63    62 S   HA   _H13   107     1.08637   119.99597   179.95154
   64    56 S   CT   _C21    45     1.53310   114.56458    62.00363
   65    64 S   HC   _H18    46     1.09007   108.75345   -85.03966
   66    64 S   HC   _H19    47     1.09183   108.68426    32.32979
   67    58 S   CM   _C5_    78     1.34574   127.30773  -117.77952
   68    60 S   CM   _C33    92     1.34674   127.28186   121.95155
   69    62 S   CA   _C17   108     1.39498   120.01313    -0.05595
   70    69 S   HA   _H14   109     1.08616   120.03927   179.91607
   71    64 S   CT   _C22    48     1.49086   111.43620   153.58915
   72    71 S   HC   _H3_    49     1.09927   108.05712    40.04190
   73    67 S   CT   _C4_    79     1.50327   124.98745   180.00000
   74    73 S   HC   _H5_    80     1.09461   110.04409    89.99781
   75    73 S   HC   _H6_    81     1.09461   110.07140  -150.65249
   76    73 S   HC   _H7_    82     1.09248   113.44744   -31.03533
   77    67 S   CT   _C36    83     1.50517   120.50810     0.66500
   78    77 S   HC   _H42    84     1.09557   112.40639    90.01643
   79    77 S   HC   _H43    85     1.09562   110.29626  -149.94610
   80    77 S   HC   _H44    86     1.09460   110.24748   -30.03788
   81    68 S   CT   _C34    93     1.50234   125.02585  -180.00000
   82    81 S   HC   _H36    94     1.09494   110.06016    90.01706
   83    81 S   HC   _H37    95     1.09490   110.04237  -150.62812
   84    81 S   HC   _H38    96     1.09228   113.40475   -31.08668
   85    68 S   CT   _C35    97     1.50542   120.46486     0.68614
   86    85 S   HC   _H39    98     1.09492   112.43761    89.96505
   87    85 S   HC   _H40    99     1.09536   110.31112  -149.87518
   88    85 S   HC   _H41   100     1.09497   110.21401   -30.03692
   89    69 S   CA   _C18   110     1.39505   120.00711     0.05595
   90    89 S   HA   _H15   111     1.08587   120.05154   179.92598
   91    71 S   CT   _C23    50     1.54362   112.67235   -80.82274
   92    91 S   HC   _H4_    51     1.09828   109.62660   -40.96727
   93    45 S   CA   _C19   112     1.39498   119.99244   -90.05556
   94    93 S   HA   _H16   113     1.08756   120.85336     0.09487
   95    91 S   CT   _C24    52     1.53898   104.87755  -157.03738
   96    95 S   HC   _H20    53     1.09613   113.28527  -111.14224
   97    95 S   HC   _H21    54     1.09645   109.65020   129.47723
   98    91 S   CM   _C28    65     1.49470   113.75388    79.32293
   99    95 S   CT   _C25    55     1.53258   106.61332    10.23697
  100    99 S   HC   _H22    56     1.09534   110.73675   138.67285
  101    99 S   HC   _H23    57     1.09687   108.91635  -102.43004
  102    98 S   CM   _C29    66     1.34101   121.96662  -121.55093
  103   102 S   HC   _H28    67     1.08517   121.37392  -179.97202
  104   102 S   HC   _H29    68     1.08579   121.36323     0.03956
  105    98 S   CT   _C30    69     1.50039   116.16098    58.43789
  106   105 S   HC   _H30    70     1.09431   110.30723   -89.94885
  107   105 S   HC   _H31    71     1.09486   110.24207    29.85319
  108   105 S   HC   _H32    72     1.09524   112.13816   149.92091
  109    71 S   CT   _C26    58     1.53981   114.84476   161.87240
  110   109 S   CT   _C27    59     1.52288   114.13101   -73.00081
  111   110 S   HC   _H24    60     1.09024   109.99167    64.33349
  112   110 S   HC   _H25    61     1.08989   109.99451   -55.59491
  113   110 S   HC   _H26    62     1.08981   110.05986  -175.60283
  114   109 S   OH   _O37    63     1.42659   111.21097    50.69374
  115   114 S   HO   _H27    64     0.96910   106.46157   171.33948
  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   2   1   1  16   7   1  16   5  10   3  17   9  15   5  12
   5   4   9   4   3   8   4   8   4  10   3  10   3   6   3  12
   5   4   8   8   5   3  19   8   7   3   2   1   3   2   1   1
   7   3   2   1   3   2   1   1   3   2  18   8   1   1  11   6
   5   9   9   4   3   6   2   1   3   2   1   1   6   5   3   2
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    46    56    57    64    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    46    47    56    57    64    65    66    71    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    46    56    57    64    48    51    42    43    45    54    93    38    39  
   39    40    42    46    56    57    64  
   56  
   41    44    46    47    56    48    49    50    58    51    52    53    60    42    43    45  
   44    46    48    51    42  
   43    45    54    55    62    89    93    94    44    56  
   45    54    93  
   46    47    56    57    64    48    49    50    58    59    67    51    52    53    60    61    68  
   54    55    62    63    69    89    90    93    94  
   47    56    57    64    65    66    71    48    49    50    58    51    52    53    60  
   56    57    64    48    51  
   49    50    58    59    67    73    77    51    52    53    60    56  
   50    58    59    67    51  
   58    59    67    51  
   52    53    60    61    68    81    85    56    58  
   53    60    61    68  
   60    61    68  
   55    62    63    69    70    89    93    94  
   62    63    69    93  
   57    64    65    66    71    72    91   109  
   64    65    66    71  
   59    67    73    74    75    76    77    78    79    80  
   67    73    77  
   61    68    81    82    83    84    85    86    87    88  
   68    81    85  
   63    69    70    89    90    93  
   69    70    89  
   65    66    71    72    91    92    95    99   109   110   114    98  
   66    71    72    91   109  
   71    72    91   109  
   73    74    75    76    77    78    79    80  
   81    82    83    84    85    86    87    88  
   70    89    90    93    94  
   89    90    93  
   72    91    92    95    96    97    99   100   101   109   110   111   112   113   114   115    98   102   105  
   91    92    95    99   109   110   114    98  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    93    94  
   93    94  
   92    95    96    97    99   100   101   109   110   114    98   102   103   104   105   106   107   108  
   95    96    97    99   109    98   102   105  
   94  
    0  
   96    97    99   100   101   109   110   114    98   102   105  
   97    99   100   101   109    98  
   99   100   101   109    98  
  102   103   104   105   106   107   108    99   109  
  100   101   109   110   111   112   113   114   115  
  101   109   110   114  
  109   110   114  
  103   104   105   106   107   108  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113   114   115  
  111   112   113   114   115  
  112   113   114  
  113   114  
  114  
  115  
    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   0.432500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  115   0.5000   0.0300   0.418000   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    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    56   268.000  1.529
   33    38   320.000  1.410
   37    40   320.000  1.462
   37    42   465.000  1.376
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    46   317.000  1.522
   44    48   268.000  1.529
   44    51   268.000  1.529
   46    47   570.000  1.229
   46    56   317.000  1.522
   56    57   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    91   268.000  1.529
   71   109   268.000  1.529
   91    92   340.000  1.090
   91    95   268.000  1.529
   91    98   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   109   268.000  1.529
  109   110   268.000  1.529
  109   114   320.000  1.410
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
  114   115   553.000  0.945
   98   102   549.000  1.340
   98   105   317.000  1.510
  102   103   340.000  1.080
  102   104   340.000  1.080
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   317.000  1.510
   58    59   340.000  1.080
   58    67   549.000  1.340
   67    73   317.000  1.510
   67    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   317.000  1.510
   60    61   340.000  1.080
   60    68   549.000  1.340
   68    81   317.000  1.510
   68    85   317.000  1.510
   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
   42    43   745.000  1.250
   42    45   320.000  1.460
   45    54   469.000  1.400
   45    93   469.000  1.400
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    70   367.000  1.080
   69    89   469.000  1.400
   89    90   367.000  1.080
   89    93   469.000  1.400
   93    94   367.000  1.080
   38    39   553.000  0.945
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    56    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    65.00000  116.34900
   33    37    42    70.00000  124.00000
   33    56    46    63.00000  111.10000
   33    56    57    37.50000  110.70000
   33    56    64    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    80.00000  123.72100
   37    40    44    65.00000  118.62400
   37    42    43    65.00000  137.10300
   37    42    45    60.00000  123.20500
   40    44    46    75.00000  107.99600
   40    44    48    63.00000  111.10000
   40    44    51    63.00000  111.10000
   44    40    41    80.00000  120.40000
   44    46    47    80.00000  120.40000
   44    46    56    70.00000  116.00000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    58    70.00000  112.02700
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    60    70.00000  112.02700
   46    56    57    35.00000  109.50000
   46    56    64    63.00000  111.10000
   56    33    37    70.00000  112.02700
   56    46    47    80.00000  120.40000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    71    58.35000  112.70000
   64    56    57    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    91    58.35000  112.70000
   64    71   109    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    91    92    37.50000  110.70000
   71    91    95    58.35000  112.70000
   71    91    98    70.00000  112.02700
   71   109    99    58.35000  112.70000
   71   109   110    58.35000  112.70000
   71   109   114    50.00000  109.50000
   91    71    72    37.50000  110.70000
   91    95    96    37.50000  110.70000
   91    95    97    37.50000  110.70000
   91    95    99    58.35000  112.70000
   91    98   102    70.00000  124.00000
   91    98   105    65.00000  117.92700
   95    91    92    37.50000  110.70000
   95    99   100    37.50000  110.70000
   95    99   101    37.50000  110.70000
   95    99   109    58.35000  112.70000
   97    95    96    33.00000  107.80000
   99    95    96    37.50000  110.70000
   99    95    97    37.50000  110.70000
   99   109   110    58.35000  112.70000
   99   109   114    50.00000  109.50000
  101    99   100    33.00000  107.80000
  109    71    72    37.50000  110.70000
  109    71    91    58.35000  112.70000
  109    99   100    37.50000  110.70000
  109    99   101    37.50000  110.70000
  109   110   111    37.50000  110.70000
  109   110   112    37.50000  110.70000
  109   110   113    37.50000  110.70000
  109   114   115    55.00000  108.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
  114   109   110    50.00000  109.50000
   98    91    92    35.00000  109.50000
   98    91    95    70.00000  112.02700
   98   102   103    35.00000  120.00000
   98   102   104    35.00000  120.00000
   98   105   106    35.00000  109.50000
   98   105   107    35.00000  109.50000
   98   105   108    35.00000  109.50000
  104   102   103    35.00000  117.00000
  105    98   102    70.00000  124.00000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   48    44    46    63.00000  111.10000
   48    58    59    35.00000  117.00000
   48    58    67    70.00000  124.00000
   50    48    49    33.00000  107.80000
   58    48    49    35.00000  109.50000
   58    48    50    35.00000  109.50000
   58    67    73    70.00000  124.00000
   58    67    77    70.00000  124.00000
   67    58    59    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   67    77    78    35.00000  109.50000
   67    77    79    35.00000  109.50000
   67    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    67    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   51    44    46    63.00000  111.10000
   51    44    48    58.35000  112.70000
   51    60    61    35.00000  117.00000
   51    60    68    70.00000  124.00000
   53    51    52    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    53    35.00000  109.50000
   60    68    81    70.00000  124.00000
   60    68    85    70.00000  124.00000
   68    60    61    35.00000  120.00000
   68    81    82    35.00000  109.50000
   68    81    83    35.00000  109.50000
   68    81    84    35.00000  109.50000
   68    85    86    35.00000  109.50000
   68    85    87    35.00000  109.50000
   68    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    68    81    65.00000  117.92700
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   42    37    40    60.00000  125.92000
   42    45    54    60.00000  120.93500
   42    45    93    60.00000  120.93500
   45    42    43    85.00000  114.86500
   45    54    55    35.00000  120.00000
   45    54    62    63.00000  120.00000
   45    93    89    63.00000  120.00000
   45    93    94    35.00000  120.00000
   54    62    63    35.00000  120.00000
   54    62    69    63.00000  120.00000
   62    54    55    35.00000  120.00000
   62    69    70    35.00000  120.00000
   62    69    89    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    89    90    35.00000  120.00000
   69    89    93    63.00000  120.00000
   89    69    70    35.00000  120.00000
   89    93    94    35.00000  120.00000
   93    45    54    63.00000  120.00000
   93    89    90    35.00000  120.00000
   38    33    37    90.00000  110.39200
   38    33    56    50.00000  109.50000
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
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   51    44    48    50   0.15000  1.0 3.0
   51    44    48    58   0.34400  1.0 1.0
   51    44    48    58   0.09450 -1.0 2.0
   51    44    48    58   0.11100  1.0 3.0
   51    60    68    81   7.00000 -1.0 2.0
   51    60    68    85   7.00000 -1.0 2.0
   52    51    60    61   0.33100  1.0 3.0
   52    51    60    68   0.00000  1.0 1.0
   53    51    60    61   0.33100  1.0 3.0
   53    51    60    68   0.00000  1.0 1.0
   60    68    81    82   0.00000  1.0 1.0
   60    68    81    83   0.00000  1.0 1.0
   60    68    81    84   0.00000  1.0 1.0
   60    68    85    86   0.00000  1.0 1.0
   60    68    85    87   0.00000  1.0 1.0
   60    68    85    88   0.00000  1.0 1.0
   61    60    68    81   7.00000 -1.0 2.0
   61    60    68    85   7.00000 -1.0 2.0
   81    68    85    86   0.34800  1.0 3.0
   81    68    85    87   0.34800  1.0 3.0
   81    68    85    88   0.34800  1.0 3.0
   85    68    81    82   0.34800  1.0 3.0
   85    68    81    83   0.34800  1.0 3.0
   85    68    81    84   0.34800  1.0 3.0
   42    37    40    41   1.00000 -1.0 2.0
   42    37    40    44  -0.33500  1.0 1.0
   42    37    40    44   1.06600 -1.0 2.0
   42    37    40    44  -0.14000  1.0 3.0
   42    45    54    55   3.62500 -1.0 2.0
   42    45    54    62   3.62500 -1.0 2.0
   42    45    93    89   3.62500 -1.0 2.0
   42    45    93    94   3.62500 -1.0 2.0
   43    42    45    54  -0.01750  1.0 1.0
   43    42    45    54  -0.32000 -1.0 2.0
   43    42    45    54   0.00600  1.0 3.0
   43    42    45    93  -0.01750  1.0 1.0
   43    42    45    93  -0.32000 -1.0 2.0
   43    42    45    93   0.00600  1.0 3.0
   45    54    62    63   3.62500 -1.0 2.0
   45    54    62    69   3.62500 -1.0 2.0
   54    45    93    89   3.62500 -1.0 2.0
   54    45    93    94   3.62500 -1.0 2.0
   54    62    69    70   3.62500 -1.0 2.0
   54    62   -69    89   3.62500 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    69   3.62500 -1.0 2.0
   62    69    89    90   3.62500 -1.0 2.0
   62    69    89    93   3.62500 -1.0 2.0
   63    62    69    70   3.62500 -1.0 2.0
   63    62    69    89   3.62500 -1.0 2.0
   69    89   -93    45   3.62500 -1.0 2.0
   69    89    93    94   3.62500 -1.0 2.0
   70    69    89    90   3.62500 -1.0 2.0
   70    69    89    93   3.62500 -1.0 2.0
   90    89    93    45   3.62500 -1.0 2.0
   90    89    93    94   3.62500 -1.0 2.0
   93    45    54    55   3.62500 -1.0 2.0
   93    45   -54    62   3.62500 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    42   0.67800  1.0 1.0
   38    33    37    42   0.47050 -1.0 2.0
   38    33    37    42  -0.62500  1.0 3.0
   38    33    56    46  -0.09450  1.0 1.0
   38    33    56    46  -1.12950 -1.0 2.0
   38    33    56    46   0.54000  1.0 3.0
   38    33    56    57   0.23400  1.0 3.0
   38    33    56    64   0.86500  1.0 1.0
   38    33    56    64  -0.17500 -1.0 2.0
   38    33    56    64   0.20800  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    40    37    42   1.10000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
   44    56    46    47  10.50000 -1.0 2.0
   91   105    98   102  15.00000 -1.0 2.0
  103   104   102    98  15.00000 -1.0 2.0
   48    59    58    67  15.00000 -1.0 2.0
   73    77    67    58  15.00000 -1.0 2.0
   51    61    60    68  15.00000 -1.0 2.0
   81    85    68    60  15.00000 -1.0 2.0
   45    43    42    37   1.10000 -1.0 2.0
   54    93    45    42   4.00000 -1.0 2.0
   62    55    54    45   1.10000 -1.0 2.0
   69    63    62    54   1.10000 -1.0 2.0
   89    70    69    62   1.10000 -1.0 2.0
   93    90    89    69   1.10000 -1.0 2.0
   89    94    93    45   1.10000 -1.0 2.0
END
