* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    218    360     668
    1     0 S   NP   _N1_     1    28.93804    97.18351   -19.40425
    2     1 S   H    _HN1     2     1.02949    87.94548    47.83642
    3     1 S   H    _H1_     3     1.02843    45.91205   163.91946
    4     1 S   H    _H2_     4     1.02778    75.23123   -61.80376
    5     1 S   CT   _CA1     5     1.50224   155.14724  -173.30121
    6     5 S   HC   _HA1     6     1.09571   105.08007    41.98716
    7     5 S   CO3  _C1_     7     1.53940   112.58674   -77.78639
    8     7 S   O2Z  _O11     8     1.26412   115.11774   -32.69745
    9     7 S   O2Z  _O12     9     1.26224   115.07597   146.37838
   10     5 S   CT   _CB1    10     1.53190   107.36049   159.91617
   11    10 S   HC   HB11    11     1.09814   109.47493   -47.12537
   12    10 S   HC   HB12    12     1.09806   110.21856    69.45350
   13    10 S   CT   _CG1    13     1.53010   112.81602  -168.18889
   14    13 S   HC   HG11    14     1.09529   110.23450   -62.74063
   15    13 S   HC   HG12    15     1.09637   110.09674    56.36338
   16    13 S   C    _CD1    16     1.51940   112.58401   176.72308
   17    16 S   O    _OE1    17     1.22690   123.27626    -8.58078
   18    16 S   N    _N2_    18     1.38594   111.47496   171.66728
   19    18 S   H    _HN2    19     1.01600   118.75236     1.32412
   20    18 S   CT1  _CA2    20     1.46417   123.98063  -176.37631
   21    20 S   HC   _HA2    21     1.09735   109.30103   -19.89953
   22    20 S   C    _C2_    22     1.53442   107.87727  -135.44761
   23    22 S   O    _O2_    23     1.22979   122.46146  -145.02403
   24    20 S   CT   _CB2    32     1.53858   111.04748   102.58735
   25    24 S   HC   HB21    33     1.09282   108.84718    49.63189
   26    24 S   HC   HB22    34     1.09483   110.58798   168.37358
   27    22 S   N    _N3_    24     1.38587   113.19914    42.39168
   28    27 S   H    _HN3    25     1.01533   118.88293    -0.52897
   29    24 S   S    _SG2    35     1.83134   110.83137   -73.11247
   30    27 S   CT   _CA3    26     1.45444   123.40980   175.02181
   31    30 S   HC   HA31    27     1.09525   109.19271    25.21255
   32    30 S   HC   HA32    28     1.09493   107.12989   142.22143
   33    29 S   CT   _C17    36     1.90289   105.01332   156.05474
   34    30 S   CO3  _C3_    29     1.52933   113.15943   -98.22633
   35    34 S   O2Z  _O31    30     1.26400   115.43036   -43.49470
   36    34 S   O2Z  _O32    31     1.26359   114.96246   137.44996
   37    33 S   CM   _C4_    37     1.52113   107.71478    35.43783
   38    37 S   HC   _H35    38     1.09063   115.28887   -67.21249
   39    33 S   CT   _C15    54     1.59553   106.26988   155.31997
   40    39 S   HC   _H50    55     1.09936   108.79325    26.36764
   41    37 S   CMA  _C5_    39     1.34987   128.93019   118.88825
   42    41 S   OM   _O28    40     1.26266   127.29047   173.96015
   43    39 S   CT   _C8_    56     1.55709   111.88185   139.99147
   44    43 S   HC   _H38    57     1.09433   110.51719  -174.19194
   45    43 S   HC   _H39    58     1.09588   109.74194    69.42785
   46    41 S   CT   _C13    41     1.54546   119.37236    -3.64975
   47    46 S   HC   _H48    42     1.10215   105.63503    91.65160
   48    43 S   CT   _C10    59     1.53956   116.08556   -54.96178
   49    48 S   HC   _H42    60     1.09715   107.44752   153.74012
   50    48 S   HC   _H43    61     1.09741   108.07293   -93.22282
   51    46 S   CT   _C7_    43     1.55477   115.14574  -152.38376
   52    51 S   HC   _H36    44     1.09519   112.11574    60.33388
   53    51 S   HC   _H37    45     1.09752   110.10429   -59.01889
   54    48 S   CT   _C18    62     1.53957   114.68394    29.89103
   55    51 S   CO4  _C6_    46     1.51209   112.63148  -177.06488
   56    55 S   O    _O29    47     1.23301   120.97057   139.32415
   57    54 S   CT   _C16    63     1.57519   113.58765   138.34983
   58    57 S   HC   _H51    64     1.09880   107.66580   -41.47891
   59    54 S   CT   _C21   101     1.54707   108.85339   -98.78980
   60    59 S   HC   _H52   102     1.09354   112.42451   176.75303
   61    59 S   HC   _H53   103     1.09142   112.46931    54.10034
   62    59 S   HC   _H54   104     1.09456   111.52261   -63.12505
   63    55 S   CT   _C14    48     1.51272   118.24668   -46.68351
   64    63 S   HC   _H49    49     1.09675   108.14302   159.19271
   65    57 S   CT   _C9_    65     1.54872   103.18301  -154.37079
   66    65 S   HC   _H40    66     1.09575   111.90702  -101.48441
   67    65 S   HC   _H41    67     1.09594   110.32924   138.90521
   68    57 S   CT   _C28    74     1.55643   119.22856    80.23801
   69    68 S   HC   _H71    75     1.09644   108.37405    55.41368
   70    63 S   CT   _C12    50     1.52783   111.41483    40.62950
   71    70 S   HC   _H46    51     1.09506   104.50498    74.88084
   72    70 S   HC   _H47    52     1.09722   109.61986  -170.02632
   73    65 S   CT   _C11    68     1.53534   107.56450    18.07516
   74    73 S   HC   _H44    69     1.09517   110.25451   132.05590
   75    73 S   HC   _H45    70     1.08986   107.35748  -110.59717
   76    68 S   CT   _C23    76     1.53617   112.10022   -61.57652
   77    76 S   HC   _H58    77     1.09468   111.49275   -53.17104
   78    76 S   HC   _H59    78     1.09237   111.43498    67.45188
   79    76 S   HC   _H60    79     1.09491   111.42904  -173.89407
   80    68 S   CT   _C29    80     1.55806   113.10194   172.27945
   81    80 S   HC   _H72    81     1.09491   109.96144   -54.39141
   82    63 S   OH   _O30   109     1.41253   109.98427   -83.89876
   83    82 S   HO   _H73   110     0.97290   107.49991   -62.41598
   84    46 S   CT   _C19    53     1.56615   112.42266   -24.98472
   85    33 S   CT   _C20    71     1.58570   111.61053   -84.54600
   86    80 S   CT   _C26    82     1.53743   114.59904    68.52306
   87    86 S   HC   _H67    83     1.09499   109.41274    65.31500
   88    86 S   HC   _H68    84     1.09313   109.64648   -53.09151
   89    80 S   OH   _O34    99     1.43178   108.79108  -169.96109
   90    89 S   HO   _H75   100     0.97619   106.93825    62.64294
   91    85 S   OH   _O33    72     1.45838   107.68295   162.85187
   92    91 S   HO   _H74    73     0.97213   108.66896   -69.50838
   93    86 S   CT   _C27    85     1.53622   111.73216  -174.51359
   94    93 S   HC   _H69    86     1.09877   109.14034    55.52641
   95    93 S   HC   _H70    87     1.09838   109.56988   -58.81414
   96    84 S   CT   _C22   105     1.55546   110.93359   -68.90670
   97    96 S   HC   _H55   106     1.09168   112.81644    54.32297
   98    96 S   HC   _H56   107     1.09100   113.25420   -64.05393
   99    96 S   HC   _H57   108     1.09575   110.74212   175.98736
  100    93 S   CT   _C30    88     1.54227   115.47817   178.26878
  101   100 S   CT   _C24    89     1.53016   112.23087    62.23714
  102   101 S   HC   _H61    90     1.09585   110.75888    54.39419
  103   101 S   HC   _H62    91     1.09627   110.82284   172.14595
  104   101 S   HC   _H63    92     1.09410   112.15598   -67.13368
  105   100 S   CT   _C25    93     1.53039   112.25283   -63.02735
  106   105 S   HC   _H64    94     1.09586   110.76239   -54.17664
  107   105 S   HC   _H65    95     1.09629   110.80817  -171.91046
  108   105 S   HC   _H66    96     1.09401   112.21063    67.38071
  109   100 S   OH   _O35    97     1.43457   106.25819   179.63955
  110   109 S   HO   _H76    98     0.97240   108.07707  -179.83687
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  24   9  11   4  13   6   5  15   7  15
   5   4  10   5   4  19   9   4  23  10   8   3   2   1   8   6
  11   6   5  15   8   9   4   3   5   3   2   7   3   2   1  10
   6   2   1   5   2  11   6   5   2   1   1   1  13   5   4   3
   2   1   1  10   9   4   3   2   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    39    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    84    39    40    43    54    73    85    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    70    84    39    40    43    44    45    48    54    57    65    73    74    75    85    91    92    59    96  
   35    36  
   36  
    0  
   38    41    42    46    47    51    84    39    40    43    54    73    85    91  
   41    42    46    39    85  
   40    43    44    45    48    49    50    54    73    85    91    96    97    98    99    41    46    47    51    63    70    71    72    84  
   43    44    45    48    85    96    46    70    84  
   42    46    47    51    52    53    55    70    84    85    96  
   46    47    51    84  
   44    45    48    49    50    54    57    85    59    96    46    70    84  
   45    48    49    50    54    84  
   48    49    50    54    84  
   47    51    52    53    55    56    63    70    71    72    84    96    97    98    99  
   51    52    53    55    70    84    96  
   49    50    54    57    58    65    73    85    91    68    59    60    61    62    84  
   50    54    57    85    59  
   54    57    85    59  
   52    53    55    56    63    64    70    84    96    82  
   53    55    56    63    84  
   55    56    63    84  
   57    58    65    66    67    73    74    75    85    91    92    68    69    76    80    59    60    61    62  
   56    63    64    70    71    72    84    82    83  
   63    64    70    82  
   58    65    66    67    73    74    75    85    91    68    69    76    77    78    79    80    81    86    89    59    60    61    62  
   65    66    67    73    85    68    69    76    80    59  
   60    61    62    65    68    73    85    91  
   61    62    85  
   62    85  
   85  
   64    70    71    72    84    96    82    83  
   70    71    72    84    82    83  
   66    67    73    74    75    85    91    68    69    76    80  
   67    73    74    75    85    68  
   73    74    75    85    68  
   69    76    77    78    79    80    81    86    87    88    93    89    90    73    85  
   76    77    78    79    80    81    86    89  
   71    72    84    96    97    98    99    82    83  
   72    84    96    82  
   84    96    82  
   74    75    85    91    92  
   75    85    91  
   85    91  
   77    78    79    80    81    86    89  
   78    79    80  
   79    80  
   80  
   81    86    87    88    93    94    95   100    89    90  
   86    87    88    93    89    90  
   83    84  
    0  
   85    96    97    98    99  
   91    92  
   87    88    93    94    95   100   101   105   109    89    90  
   88    93    94    95   100    89  
   93    94    95   100    89  
   90    93  
    0  
   92  
    0  
   94    95   100   101   102   103   104   105   106   107   108   109   110  
   95   100   101   105   109  
  100   101   105   109  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   107   108   109   110  
  102   103   104   105   106   107   108   109   110  
  103   104   105   109  
  104   105   109  
  105   109  
  106   107   108   109   110  
  107   108   109  
  108   109  
  109  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   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    39   268.000  1.529
   33    85   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    84   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    82   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    84   268.000  1.529
   84    39   268.000  1.529
   84    96   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    85   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    85   268.000  1.529
   85    91   320.000  1.410
   91    92   553.000  0.945
   68    69   340.000  1.090
   68    76   268.000  1.529
   68    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    86   268.000  1.529
   80    89   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   268.000  1.529
  100   105   268.000  1.529
  100   109   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   553.000  0.945
   89    90   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   82    83   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    39    75.00000  111.63000
   29    33    85    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    84    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    85    54    58.35000  112.70000
   33    85    73    58.35000  112.70000
   33    85    91    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    84    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    63.00000  111.10000
   46    84    70    58.35000  112.70000
   46    84    39    58.35000  112.70000
   46    84    96    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    80.00000  120.40000
   51    55    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    70    63.00000  111.10000
   55    63    82    90.00000  109.61100
   63    55    56    80.00000  120.40000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    84    58.35000  112.70000
   63    82    83    55.00000  108.50000
   70    63    64    37.50000  110.70000
   70    84    39    58.35000  112.70000
   70    84    96    58.35000  112.70000
   72    70    71    33.00000  107.80000
   84    46    47    37.50000  110.70000
   84    46    51    58.35000  112.70000
   84    70    71    37.50000  110.70000
   84    70    72    37.50000  110.70000
   84    39    40    37.50000  110.70000
   84    39    43    58.35000  112.70000
   84    96    97    37.50000  110.70000
   84    96    98    37.50000  110.70000
   84    96    99    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    85    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    65    58.35000  112.70000
   54    57    68    58.35000  112.70000
   54    85    73    58.35000  112.70000
   54    85    91    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    73    58.35000  112.70000
   57    68    69    37.50000  110.70000
   57    68    76    58.35000  112.70000
   57    68    80    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    85    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    85    91    50.00000  109.50000
   75    73    74    33.00000  107.80000
   85    33    37    70.00000  112.02700
   85    33    39    58.35000  112.70000
   85    54    57    58.35000  112.70000
   85    73    74    37.50000  110.70000
   85    73    75    37.50000  110.70000
   85    91    92    55.00000  108.50000
   68    57    58    37.50000  110.70000
   68    57    65    58.35000  112.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    79    37.50000  110.70000
   68    80    81    37.50000  110.70000
   68    80    86    58.35000  112.70000
   68    80    89    50.00000  109.50000
   76    68    69    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    68    69    37.50000  110.70000
   80    68    76    58.35000  112.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    93    58.35000  112.70000
   80    89    90    55.00000  108.50000
   86    80    81    37.50000  110.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93   100    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93   100   101    58.35000  112.70000
   93   100   105    58.35000  112.70000
   93   100   109    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   101   102    37.50000  110.70000
  100   101   103    37.50000  110.70000
  100   101   104    37.50000  110.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    55.00000  108.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105   100   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   101    50.00000  109.50000
  109   100   105    50.00000  109.50000
   89    80    81    35.00000  109.50000
   89    80    86    50.00000  109.50000
   59    54    57    58.35000  112.70000
   59    54    85    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   96    84    39    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   82    63    64    35.00000  109.50000
   82    63    70    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
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   65    73   -85    54   0.56750  1.0 1.0
   65    73   -85    54  -0.07550 -1.0 2.0
   65    73   -85    54   0.20000  1.0 3.0
   65    73    85    91   0.86500  1.0 1.0
   65    73    85    91  -0.17500 -1.0 2.0
   65    73    85    91   0.20800  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    85   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    85   0.15000  1.0 3.0
   73    85    91    92  -0.11600  1.0 1.0
   73    85    91    92  -0.09450 -1.0 2.0
   73    85    91    92   0.21250  1.0 3.0
   74    73    85    33   0.15000  1.0 3.0
   74    73    85    54   0.15000  1.0 3.0
   74    73    85    91   0.23400  1.0 3.0
   75    73    85    33   0.15000  1.0 3.0
   75    73    85    54   0.15000  1.0 3.0
   75    73    85    91   0.23400  1.0 3.0
   85    33    37    38   0.00000  1.0 1.0
   85    33    37    41   0.09850  1.0 1.0
   85    33    37    41   0.15250 -1.0 2.0
   85    33    37    41  -0.50650  1.0 3.0
   85    33    39    84   0.56750  1.0 1.0
   85    33    39    84  -0.07550 -1.0 2.0
   85    33    39    84   0.20000  1.0 3.0
   85    33    39    40   0.15000  1.0 3.0
   85    33   -39    43   0.56750  1.0 1.0
   85    33   -39    43  -0.07550 -1.0 2.0
   85    33   -39    43   0.20000  1.0 3.0
   85    54    57    58   0.15000  1.0 3.0
   85    54   -57    65   0.56750  1.0 1.0
   85    54   -57    65  -0.07550 -1.0 2.0
   85    54   -57    65   0.20000  1.0 3.0
   85    54    57    68   0.56750  1.0 1.0
   85    54    57    68  -0.07550 -1.0 2.0
   85    54    57    68   0.20000  1.0 3.0
   85    54    59    60   0.15000  1.0 3.0
   85    54    59    61   0.15000  1.0 3.0
   85    54    59    62   0.15000  1.0 3.0
   68    57    65    66   0.15000  1.0 3.0
   68    57    65    67   0.15000  1.0 3.0
   68    57    65    73   0.56750  1.0 1.0
   68    57    65    73  -0.07550 -1.0 2.0
   68    57    65    73   0.20000  1.0 3.0
   68    80    86    87   0.15000  1.0 3.0
   68    80    86    88   0.15000  1.0 3.0
   68    80    86    93   0.56750  1.0 1.0
   68    80    86    93  -0.07550 -1.0 2.0
   68    80    86    93   0.20000  1.0 3.0
   68    80    89    90  -0.11600  1.0 1.0
   68    80    89    90  -0.09450 -1.0 2.0
   68    80    89    90   0.21250  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    79   0.15000  1.0 3.0
   69    68    80    81   0.15000  1.0 3.0
   69    68    80    86   0.15000  1.0 3.0
   69    68    80    89   0.23400  1.0 3.0
   76    68    80    81   0.15000  1.0 3.0
   76    68    80    86   0.56750  1.0 1.0
   76    68    80    86  -0.07550 -1.0 2.0
   76    68    80    86   0.20000  1.0 3.0
   76    68    80    89   0.86500  1.0 1.0
   76    68    80    89  -0.17500 -1.0 2.0
   76    68    80    89   0.20800  1.0 3.0
   80    68    76    77   0.15000  1.0 3.0
   80    68    76    78   0.15000  1.0 3.0
   80    68    76    79   0.15000  1.0 3.0
   80    86    93    94   0.15000  1.0 3.0
   80    86    93    95   0.15000  1.0 3.0
   80    86    93   100   0.56750  1.0 1.0
   80    86    93   100  -0.07550 -1.0 2.0
   80    86    93   100   0.20000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    93   0.15000  1.0 3.0
   81    80    89    90   0.19450  1.0 3.0
   86    80    89    90  -0.11600  1.0 1.0
   86    80    89    90  -0.09450 -1.0 2.0
   86    80    89    90   0.21250  1.0 3.0
   86    93   100   101   0.56750  1.0 1.0
   86    93   100   101  -0.07550 -1.0 2.0
   86    93   100   101   0.20000  1.0 3.0
   86    93   100   105   0.56750  1.0 1.0
   86    93   100   105  -0.07550 -1.0 2.0
   86    93   100   105   0.20000  1.0 3.0
   86    93   100   109   0.86500  1.0 1.0
   86    93   100   109  -0.17500 -1.0 2.0
   86    93   100   109   0.20800  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93   100   0.15000  1.0 3.0
   88    86    93    94   0.15000  1.0 3.0
   88    86    93    95   0.15000  1.0 3.0
   88    86    93   100   0.15000  1.0 3.0
   93   100   101   102   0.15000  1.0 3.0
   93   100   101   103   0.15000  1.0 3.0
   93   100   101   104   0.15000  1.0 3.0
   93   100   105   106   0.15000  1.0 3.0
   93   100   105   107   0.15000  1.0 3.0
   93   100   105   108   0.15000  1.0 3.0
   93   100   109   110  -0.11600  1.0 1.0
   93   100   109   110  -0.09450 -1.0 2.0
   93   100   109   110   0.21250  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   105   0.15000  1.0 3.0
   94    93   100   109   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   105   0.15000  1.0 3.0
   95    93   100   109   0.23400  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  101   100   109   110  -0.11600  1.0 1.0
  101   100   109   110  -0.09450 -1.0 2.0
  101   100   109   110   0.21250  1.0 3.0
  105   100   101   102   0.15000  1.0 3.0
  105   100   101   103   0.15000  1.0 3.0
  105   100   101   104   0.15000  1.0 3.0
  105   100   109   110  -0.11600  1.0 1.0
  105   100   109   110  -0.09450 -1.0 2.0
  105   100   109   110   0.21250  1.0 3.0
  109   100   101   102   0.23400  1.0 3.0
  109   100   101   103   0.23400  1.0 3.0
  109   100   101   104   0.23400  1.0 3.0
  109   100   105   106   0.23400  1.0 3.0
  109   100   105   107   0.23400  1.0 3.0
  109   100   105   108   0.23400  1.0 3.0
   89    80    86    87   0.23400  1.0 3.0
   89    80    86    88   0.23400  1.0 3.0
   89    80    86    93   0.86500  1.0 1.0
   89    80    86    93  -0.17500 -1.0 2.0
   89    80    86    93   0.20800  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    65   0.56750  1.0 1.0
   59    54    57    65  -0.07550 -1.0 2.0
   59    54    57    65   0.20000  1.0 3.0
   59    54    57    68   0.56750  1.0 1.0
   59    54    57    68  -0.07550 -1.0 2.0
   59    54    57    68   0.20000  1.0 3.0
   59    54    85    33   0.56750  1.0 1.0
   59    54    85    33  -0.07550 -1.0 2.0
   59    54    85    33   0.20000  1.0 3.0
   59    54    85    73   0.56750  1.0 1.0
   59    54    85    73  -0.07550 -1.0 2.0
   59    54    85    73   0.20000  1.0 3.0
   59    54    85    91   0.86500  1.0 1.0
   59    54    85    91  -0.17500 -1.0 2.0
   59    54    85    91   0.20800  1.0 3.0
   96    84    39    33   0.56750  1.0 1.0
   96    84    39    33  -0.07550 -1.0 2.0
   96    84    39    33   0.20000  1.0 3.0
   96    84    39    40   0.15000  1.0 3.0
   96    84    39    43   0.56750  1.0 1.0
   96    84    39    43  -0.07550 -1.0 2.0
   96    84    39    43   0.20000  1.0 3.0
   82    63    70    71   0.23400  1.0 3.0
   82    63    70    72   0.23400  1.0 3.0
   82    63    70    84   0.86500  1.0 1.0
   82    63    70    84  -0.17500 -1.0 2.0
   82    63    70    84   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
END
