* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    209    350     636
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02149    53.20894  -120.43862
    3     1 S   H    _H1_     3     1.02134   106.53522   -19.20169
    4     1 S   H    _H2_     4     1.02065    58.93443    83.01511
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C18    36     1.83939    97.10731  -178.14639
   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   _C19    37     1.51126   108.96029    80.02841
   38    33 S   OH   _O38   107     1.43162   108.05637   -40.43335
   39    38 S   HO   _H28   108     0.96755   106.04839   179.29612
   40    37 S   CMA  _C20    38     1.35818   123.68034    88.33944
   41    40 S   OM   _O36    39     1.26683   130.36796   176.14710
   42    37 S   C    _C23    86     1.47986   117.85452   -93.49437
   43    42 S   O    _O37    87     1.21904   120.23589   -58.39153
   44    40 S   CT   _C21    40     1.56092   117.43302    -7.10608
   45    42 S   N    _N4_    88     1.37623   112.15287   121.71932
   46    45 S   H    _H16    89     1.01627   118.98114    -0.09691
   47    44 S   CO4  _C22    41     1.54707   109.60688   -92.89692
   48    47 S   O    _O34    42     1.23502   121.35395   -10.67287
   49    44 S   CT   _C16    64     1.55932   115.06770    34.65537
   50    49 S   HC   _H4_    65     1.13224   106.99862    98.17509
   51    44 S   OH   _O35    84     1.44479   111.22178   154.85341
   52    51 S   HO   _H15    85     0.96367   105.40509    60.01653
   53    45 S   CT   _C24    90     1.44378   122.12519   179.80923
   54    53 S   HC   _H17    91     1.09309   109.32399     0.04846
   55    53 S   HC   _H18    92     1.09231   111.32613  -123.05338
   56    47 S   CT   _C13    43     1.53513   119.06562   172.45135
   57    56 S   HC   _H12    44     1.08837   105.83162   109.53579
   58    33 S   CT   _C17    66     1.54002   111.40827  -157.98473
   59    58 S   HC   _H5_    67     1.09252   112.10184    55.55020
   60    53 S   NP   _N5_    93     1.49577   109.83591   117.91636
   61    60 S   H    _H19    94     1.03013   107.37195   -40.97223
   62    56 S   CO4  _C12    45     1.53356   111.48040  -136.74531
   63    62 S   O    _O33    46     1.23002   121.57679   -41.13229
   64    58 S   NP   _N6_    68     1.51402   107.78604   167.81200
   65    64 S   H    _H29    69     1.02828   106.70162   -35.49537
   66    60 S   CT   _C25    95     1.51313   113.75591  -158.92547
   67    66 S   HC   _H20    96     1.09154   108.75915    87.86920
   68    66 S   HC   _H21    97     1.09433   107.84548   -32.59541
   69    62 S   CA   _C11    47     1.48472   119.78843   140.44764
   70    64 S   CT   _C29    70     1.50067   111.85152    81.15602
   71    70 S   HC   _H30    71     1.09126   107.83495    63.53707
   72    70 S   HC   _H31    72     1.09237   107.85146  -176.38784
   73    70 S   HC   _H32    73     1.09255   107.77947   -56.43263
   74    64 S   CT   _C30    74     1.50071   111.88114  -152.14670
   75    74 S   HC   _H33    75     1.09182   107.79402   -63.55878
   76    74 S   HC   _H34    76     1.09104   107.83709    56.48705
   77    74 S   HC   _H35    77     1.09206   107.85163   176.47197
   78    66 S   CT   _C26    98     1.51387   103.33987  -150.79891
   79    78 S   HC   _H22    99     1.09654   110.48709   -78.39640
   80    78 S   HC   _H23   100     1.09290   112.32804   160.49765
   81    69 S   CA   _C6_    48     1.40290   120.74324    10.04021
   82    78 S   CT   _C27   101     1.51483   102.58495    39.30455
   83    82 S   HC   _H24   102     1.09690   110.15820    76.80126
   84    82 S   HC   _H25   103     1.09454   112.60072  -162.76424
   85    81 S   CA   _C7_    49     1.40676   118.37043   178.44606
   86    85 S   HA   _H9_    50     1.08725   120.57948  -178.61196
   87    81 S   CT   _C5_    58     1.51332   120.51876     0.63118
   88    60 S   CT   _C28   104     1.51816   114.30585    77.09760
   89    88 S   HC   _H26   105     1.09299   109.59285     4.02317
   90    88 S   HC   _H27   106     1.09407   106.93985  -115.58760
   91    85 S   CA   _C8_    51     1.39457   121.01952     1.17503
   92    91 S   HA   _H10    52     1.08634   119.95672   179.65508
   93    56 S   CT   _C14    59     1.53288   112.08751    -9.03470
   94    93 S   HC   _H3_    60     1.10575   107.94855    69.06584
   95    87 S   CT   _C4_    78     1.53824   109.09930    90.69118
   96    95 S   HC   _H6_    79     1.08483   109.32361   180.00000
   97    95 S   HC   _H7_    80     1.08504   109.26141    59.98083
   98    95 S   HC   _H8_    81     1.08491   109.27688   -59.98248
   99    87 S   OH   _O40    82     1.43351   110.09529  -152.51809
  100    99 S   HO   _H37    83     0.96751   106.10441   179.94405
  101    91 S   CA   _C9_    53     1.38987   120.01817    -0.45970
  102   101 S   HA   _H11    54     1.08631   119.64600   179.87180
  103    93 S   CT   _C15    61     1.53665   108.92604   -45.09251
  104   103 S   HC   _H13    62     1.09751   110.12246  -172.18681
  105   103 S   HC   _H14    63     1.09331   109.15922   -55.04968
  106    69 S   CA   _C10    55     1.40240   118.79046  -170.40224
  107   106 S   OH   _O39    56     1.36410   122.92031     1.46727
  108   107 S   HO   _H36    57     0.96966   110.06451    -0.59774
  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
  18   2   1   1  16   7   1  14   5   9   3  16   8   4  15   6
  16   8   4   1  12   5   4  14   7  15   5  13   8  11   4  10
   8  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    49    58    59    64    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44   103    49    50    58    59    64    65    70    74    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    47    49    58    59    64    51    42    43    45    46    53    38    39  
   39    40    42    49    58    59    64  
   58  
   41    44    47    48    56   103    49    50    58    51    52    42    43    45  
   44    47    49    51    42  
   43    45    46    53    54    55    60    44    58  
   45    46    53  
   47    48    56    57    62    93   103   104   105    49    50    58    59    64    51    52  
   46    53    54    55    60    61    66    88  
   53    54    55    60  
   48    56    57    62    63    69    87    93    94   103    49    50    58    51    52  
   56    57    62    93    49    51  
   50    58    59    64    65    70    74    51    52    56    87    93    94   103   104   105  
   58    59    64    51    93   103   104   105  
   52    56    58   103  
    0  
   54    55    60    61    66    67    68    78    82    88    89    90  
   55    60    61    66    88  
   60    61    66    88  
   57    62    63    69    81   106    87    93    94   103   104   105    95    99  
   62    63    69    87    93    94   103  
   59    64    65    70    71    72    73    74    75    76    77    93   103   104   105  
   64    65    70    74   103  
   61    66    67    68    78    79    80    82    83    84    88    89    90  
   66    67    68    78    82    88    89    90  
   63    69    81    85   101   106   107    87    93    94   103  
   69    81   106    93  
   65    70    71    72    73    74    75    76    77   103  
   70    71    72    73    74    75    76    77  
   67    68    78    79    80    82    83    84    88    89    90  
   68    78    79    80    82    88  
   78    79    80    82    88  
   81    85    86    91   101   102   106   107   108    87    93    95    99  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    82    83    84    88    89    90  
   80    82    83    84    88  
   82    83    84    88  
   85    86    91    92   101   106   107    87    93    94   103    95    96    97    98    99   100  
   83    84    88    89    90  
   84    88    89    90  
   88    89    90  
   86    91    92   101   102   106    87    93    95    99  
   91    92   101    87  
   93    94   103   104   105    95    96    97    98    99   100    91   106  
   89    90  
   90  
    0  
   92   101   102   106   107  
  101   102   106  
   94   103   104   105    95    96    97    98    99   100  
  103   104   105    95    99  
   96    97    98    99   100   103  
   97    98    99  
   98    99  
   99  
  100   103  
    0  
  102   106   107   108  
  106   107  
  104   105  
  105  
    0  
  107   108  
  108  
    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  -0.657900   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.5000   0.0660   0.272500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   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   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   61   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  107   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  108   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    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    58   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   410.000  1.444
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    47   317.000  1.522
   44    49   268.000  1.529
   44    51   320.000  1.410
   47    48   570.000  1.229
   47    56   317.000  1.522
   56    57   340.000  1.090
   56    62   317.000  1.522
   56    93   268.000  1.529
   62    63   570.000  1.229
   62    69   310.000  1.470
   69    81   469.000  1.400
   69   106   469.000  1.400
   81    85   469.000  1.400
   81    87   317.000  1.510
   85    86   367.000  1.080
   85    91   469.000  1.400
   91    92   367.000  1.080
   91   101   469.000  1.400
  101   102   367.000  1.080
  101   106   469.000  1.400
  106   107   450.000  1.364
  107   108   553.000  0.945
   87    93   268.000  1.529
   87    95   268.000  1.529
   87    99   320.000  1.410
   93    94   340.000  1.090
   93   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103    49   268.000  1.529
   49    50   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    64   367.000  1.471
   64    65   434.000  1.010
   64    70   367.000  1.471
   64    74   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   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    53   337.000  1.449
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   367.000  1.471
   60    61   434.000  1.010
   60    66   367.000  1.471
   60    88   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   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    58    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    70.00000  119.70000
   33    58    49    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    64    80.00000  111.20000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  125.30000
   37    42    45    80.00000  111.56200
   40    44    47    70.00000  109.06800
   40    44    49    70.00000  112.02700
   40    44    51    90.00000  110.39200
   44    40    41    85.00000  112.85300
   44    47    48    80.00000  120.40000
   44    47    56    70.00000  116.00000
   44    49   103    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    58    58.35000  112.70000
   44    51    52    55.00000  108.50000
   47    56    57    35.00000  109.50000
   47    56    62    75.00000  107.99600
   47    56    93    63.00000  111.10000
   56    47    48    80.00000  120.40000
   56    62    63    80.00000  120.40000
   56    62    69    65.00000  115.47100
   56    93    87    58.35000  112.70000
   56    93    94    37.50000  110.70000
   56    93   103    58.35000  112.70000
   62    56    57    35.00000  109.50000
   62    69    81    60.00000  119.52600
   62    69   106    60.00000  119.52600
   69    62    63    75.00000  123.78400
   69    81    85    63.00000  120.00000
   69    81    87    70.00000  120.00000
   69   106   101    63.00000  120.00000
   69   106   107    70.00000  120.00000
   81    85    86    35.00000  120.00000
   81    85    91    63.00000  120.00000
   81    87    93    70.00000  112.17500
   81    87    95    70.00000  112.17500
   81    87    99    90.00000  112.51600
   85    91    92    35.00000  120.00000
   85    91   101    63.00000  120.00000
   91    85    86    35.00000  120.00000
   91   101   102    35.00000  120.00000
   91   101   106    63.00000  120.00000
  101    91    92    35.00000  120.00000
  101   106   107    70.00000  120.00000
  106    69    81    63.00000  120.00000
  106   101   102    35.00000  120.00000
  106   107   108    35.00000  113.00000
   87    81    85    70.00000  120.00000
   87    93    94    37.50000  110.70000
   87    93   103    58.35000  112.70000
   87    95    96    37.50000  110.70000
   87    95    97    37.50000  110.70000
   87    95    98    37.50000  110.70000
   87    99   100    55.00000  108.50000
   93    56    57    37.50000  110.70000
   93    56    62    63.00000  111.10000
   93   103   104    37.50000  110.70000
   93   103   105    37.50000  110.70000
   93   103    49    58.35000  112.70000
  103    93    94    37.50000  110.70000
  103    49    50    37.50000  110.70000
  103    49    58    58.35000  112.70000
  105   103   104    33.00000  107.80000
   49    44    47    63.00000  111.10000
   49   103   104    37.50000  110.70000
   49   103   105    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    64    80.00000  111.20000
   58    33    37    70.00000  112.02700
   58    49    50    37.50000  110.70000
   58    64    65    35.00000  109.50000
   58    64    70    75.00000  113.01200
   58    64    74    75.00000  113.01200
   64    58    59    35.00000  109.50000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   64    74    75    35.00000  109.50000
   64    74    76    35.00000  109.50000
   64    74    77    35.00000  109.50000
   70    64    65    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    64    65    35.00000  109.50000
   74    64    70    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   95    87    93    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    87    93    50.00000  109.50000
   99    87    95    50.00000  109.50000
   51    44    47    90.00000  109.61100
   51    44    49    50.00000  109.50000
   42    37    40    60.00000  120.04000
   42    45    46    35.00000  119.80000
   42    45    53    50.00000  121.90000
   45    42    43    80.00000  122.90000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    60    80.00000  116.76000
   53    45    46    38.00000  118.40000
   53    60    61    35.00000  109.50000
   53    60    66    75.00000  113.01200
   53    60    88    75.00000  113.01200
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    78    80.00000  111.20000
   60    88    82    80.00000  111.20000
   60    88    89    35.00000  109.50000
   60    88    90    35.00000  109.50000
   66    60    61    35.00000  109.50000
   66    78    79    37.50000  110.70000
   66    78    80    37.50000  110.70000
   66    78    82    58.35000  112.70000
   68    66    67    33.00000  107.80000
   78    66    67    37.50000  110.70000
   78    66    68    37.50000  110.70000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    88    58.35000  112.70000
   80    78    79    33.00000  107.80000
   82    78    79    37.50000  110.70000
   82    78    80    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   84    82    83    33.00000  107.80000
   88    60    61    35.00000  109.50000
   88    60    66    75.00000  113.01200
   88    82    83    37.50000  110.70000
   88    82    84    37.50000  110.70000
   90    88    89    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    58    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
   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
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   53    60    66    67   0.15000  1.0 3.0
   53    60    66    68   0.15000  1.0 3.0
   53    60    66    78   0.47100  1.0 1.0
   53    60    88    82   0.47100  1.0 1.0
   53    60    88    89   0.15000  1.0 3.0
   53    60    88    90   0.15000  1.0 3.0
   54    53    60    61   0.13050  1.0 3.0
   54    53    60    66   0.15000  1.0 3.0
   54    53    60    88   0.15000  1.0 3.0
   55    53    60    61   0.13050  1.0 3.0
   55    53    60    66   0.15000  1.0 3.0
   55    53    60    88   0.15000  1.0 3.0
   60    66    78    79   0.19200  1.0 3.0
   60    66    78    80   0.19200  1.0 3.0
   60    66   -78    82   1.36600  1.0 1.0
   60    66   -78    82  -0.11450 -1.0 2.0
   60    66   -78    82   0.24250  1.0 3.0
   61    60    66    67   0.13050  1.0 3.0
   61    60    66    68   0.13050  1.0 3.0
   61    60    66    78   0.17350  1.0 3.0
   61    60    88    82   0.17350  1.0 3.0
   61    60    88    89   0.13050  1.0 3.0
   61    60    88    90   0.13050  1.0 3.0
   66    60   -88    82   0.47100  1.0 1.0
   66    60    88    89   0.15000  1.0 3.0
   66    60    88    90   0.15000  1.0 3.0
   66    78    82    83   0.15000  1.0 3.0
   66    78    82    84   0.15000  1.0 3.0
   66    78   -82    88   0.56750  1.0 1.0
   66    78   -82    88  -0.07550 -1.0 2.0
   66    78   -82    88   0.20000  1.0 3.0
   67    66    78    79   0.15000  1.0 3.0
   67    66    78    80   0.15000  1.0 3.0
   67    66    78    82   0.15000  1.0 3.0
   68    66    78    79   0.15000  1.0 3.0
   68    66    78    80   0.15000  1.0 3.0
   68    66    78    82   0.15000  1.0 3.0
   78    82   -88    60   1.36600  1.0 1.0
   78    82   -88    60  -0.11450 -1.0 2.0
   78    82   -88    60   0.24250  1.0 3.0
   78    82    88    89   0.15000  1.0 3.0
   78    82    88    90   0.15000  1.0 3.0
   79    78    82    83   0.15000  1.0 3.0
   79    78    82    84   0.15000  1.0 3.0
   79    78    82    88   0.15000  1.0 3.0
   80    78    82    83   0.15000  1.0 3.0
   80    78    82    84   0.15000  1.0 3.0
   80    78    82    88   0.15000  1.0 3.0
   83    82    88    60   0.19200  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   84    82    88    60   0.19200  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   88    60    66    67   0.15000  1.0 3.0
   88    60    66    68   0.15000  1.0 3.0
   88    60   -66    78   0.47100  1.0 1.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    58    49   0.86500  1.0 1.0
   38    33    58    49  -0.17500 -1.0 2.0
   38    33    58    49   0.20800  1.0 3.0
   38    33    58    59   0.23400  1.0 3.0
   38    33    58    64   1.69300  1.0 1.0
   38    33    58    64  -0.48450 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    56    47    48  10.50000 -1.0 2.0
   56    69    62    63  10.50000 -1.0 2.0
   81   106    69    62   4.00000 -1.0 2.0
   85    87    81    69   4.00000 -1.0 2.0
   91    86    85    81   1.10000 -1.0 2.0
  101    92    91    85   1.10000 -1.0 2.0
  106   102   101    91   1.10000 -1.0 2.0
  101   107   106    69   4.00000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   46    42    45    53   1.00000 -1.0 2.0
END
