* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    218    330     653
    1     0 S   NP   _N1_     1    28.65188    93.52008   -21.59580
    2     1 S   H    _HN1     2     1.02773    94.07292   -68.45458
    3     1 S   H    _H1_     3     1.02951    90.68333    40.01459
    4     1 S   H    _H2_     4     1.02841    26.75497   168.70403
    5     1 S   CT   _CA1     5     1.50093   137.34566   161.81564
    6     5 S   HC   _HA1     6     1.09569   105.24523    61.77524
    7     5 S   CO3  _C1_     7     1.53763   112.32239   -58.51903
    8     7 S   O2Z  _O11     8     1.26357   114.96631   -44.46087
    9     7 S   O2Z  _O12     9     1.26229   114.92454   134.71888
   10     5 S   CT   _CB1    10     1.53073   107.52377   179.74899
   11    10 S   HC   HB11    11     1.09819   109.38404   -50.16483
   12    10 S   HC   HB12    12     1.09755   110.40768    66.49259
   13    10 S   CT   _CG1    13     1.53017   112.66690  -171.53870
   14    13 S   HC   HG11    14     1.09595   110.34332   -64.06099
   15    13 S   HC   HG12    15     1.09640   110.09984    55.18604
   16    13 S   C    _CD1    16     1.51776   112.20752   175.33818
   17    16 S   O    _OE1    17     1.22727   123.13149    -6.88994
   18    16 S   N    _N2_    18     1.38651   111.73689   173.77934
   19    18 S   H    _HN2    19     1.01581   119.11396     0.68984
   20    18 S   CT1  _CA2    20     1.46092   123.24809  -179.81869
   21    20 S   HC   _HA2    21     1.09410   108.99856   -10.03593
   22    20 S   C    _C2_    22     1.53237   108.37753  -124.46367
   23    22 S   O    _O2_    23     1.22973   122.44790  -141.96977
   24    20 S   CT   _CB2    32     1.53333   111.89609   112.30405
   25    24 S   HC   HB21    33     1.09635   109.70344    58.19942
   26    24 S   HC   HB22    34     1.09553   111.15194   175.95664
   27    22 S   N    _N3_    24     1.38582   112.99869    45.75772
   28    27 S   H    _HN3    25     1.01512   118.91398    -1.36702
   29    24 S   S    _SG2    35     1.82860   113.82124   -61.52497
   30    27 S   CT   _CA3    26     1.45399   123.30405   172.72409
   31    30 S   HC   HA31    27     1.09528   109.04233    28.40952
   32    30 S   HC   HA32    28     1.09479   107.18988   145.56933
   33    29 S   CT   _C29    36     1.84498    99.64286   -73.38474
   34    33 S   HC   _H3_    37     1.09821   107.00141   -64.22009
   35    33 S   HC   _H4_    38     1.09249   105.69221    50.12885
   36    30 S   CO3  _C3_    29     1.53041   113.25507   -94.74435
   37    36 S   O2Z  _O31    30     1.26398   115.63120   -37.07491
   38    36 S   O2Z  _O32    31     1.26382   114.81711   143.78990
   39    33 S   CT   _C21    39     1.56323   117.19044   170.42572
   40    39 S   OM   _O27    40     1.32271   107.16310    63.19601
   41    39 S   CO4  _C4_    41     1.56879   111.94300   177.67476
   42    41 S   O    _O28    42     1.23857   121.84057  -158.61548
   43    39 S   CT   _C6_    64     1.56348   109.65953   -57.23978
   44    43 S   HC   _H38    65     1.09875   108.95150    67.55973
   45    43 S   HC   _H39    66     1.09585   106.50617   -45.66784
   46    41 S   CT   _C8_    43     1.54302   119.71276    26.08691
   47    46 S   HC   _H42    44     1.08834   107.95547   -35.46968
   48    46 S   CT   _C14    45     1.54113   108.66338    85.44177
   49    48 S   HC   _H48    46     1.09319   108.83544   -40.29819
   50    46 S   CT   _C22   112     1.53294   110.18115  -149.99070
   51    50 S   HC   _H55   113     1.09501   112.41996   -62.11393
   52    50 S   HC   _H56   114     1.09433   110.97416   176.64386
   53    50 S   HC   _H57   115     1.09591   110.29393    57.29788
   54    48 S   CT   _C12    47     1.55690   115.83215  -161.70226
   55    54 S   HC   _H46    48     1.09748   109.02231   -56.44654
   56    48 S   OH   _O35   110     1.43262   109.21295    75.69619
   57    56 S   HO   _H79   111     0.97346   107.90007   -57.17027
   58    54 S   CT   _C18    49     1.55889   110.02728  -173.23601
   59    58 S   HC   _H52    50     1.09801   107.55793    67.05453
   60    54 S   CT   _C26   106     1.53450   111.20187    62.50766
   61    60 S   HC   _H67   107     1.09387   111.11285    62.39333
   62    60 S   HC   _H68   108     1.09268   112.01630   -58.83625
   63    60 S   HC   _H69   109     1.09431   111.37468  -177.09465
   64    58 S   OS   _O30    51     1.44644   108.19160   -51.08611
   65    58 S   CT   _C27   102     1.52580   114.40584  -173.02000
   66    65 S   HC   _H70   103     1.09487   111.64717    71.21394
   67    65 S   HC   _H71   104     1.09398   111.32719   -51.38894
   68    65 S   HC   _H72   105     1.09544   110.26496  -171.35032
   69    64 S   CO4  _C5_    52     1.36401   117.20151   146.67913
   70    69 S   O    _O29    53     1.22391   125.51181    10.75561
   71    69 S   CT   _C9_    54     1.52618   109.59189  -168.02113
   72    71 S   HC   _H43    55     1.09884   104.98508   -43.57734
   73    71 S   CT   _C15    56     1.56386   110.32248    74.34165
   74    73 S   HC   _H49    57     1.09358   109.14957   -19.70550
   75    71 S   CT   _C23    98     1.53263   109.02210  -158.23910
   76    75 S   HC   _H58    99     1.09445   112.22022   -57.36119
   77    75 S   HC   _H59   100     1.09209   112.27718  -178.90657
   78    75 S   HC   _H60   101     1.09622   110.08765    61.29863
   79    73 S   CT   _C11    58     1.56491   111.88967  -137.92318
   80    79 S   HC   _H45    59     1.09593   108.40641    55.01726
   81    73 S   OS   _O38    77     1.43616   112.22042   100.28056
   82    79 S   CT   _C16    60     1.56117   113.09927   175.02094
   83    82 S   HC   _H50    61     1.09601   107.48922    60.11503
   84    79 S   CT   _C25    73     1.54228   111.65888   -61.28674
   85    84 S   HC   _H64    74     1.09466   111.52051   -58.56868
   86    84 S   HC   _H65    75     1.09453   111.81455  -179.25664
   87    84 S   HC   _H66    76     1.09314   111.17725    62.87254
   88    81 S   CO   _C20    78     1.43168   114.81529   -80.79679
   89    88 S   HC   _H54    79     1.09129   109.55697    43.52525
   90    82 S   CT   _C10    62     1.56592   117.21799   -62.02232
   91    90 S   HC   _H44    63     1.09357   108.06017    56.62777
   92    82 S   OH   _O36    71     1.43424   109.58048   173.84183
   93    92 S   HO   _H80    72     0.97209   108.08014    54.27305
   94    88 S   CT   _C7_    80     1.52704   108.91663   160.37109
   95    94 S   HC   _H40    81     1.09647   110.82604   -50.98038
   96    94 S   HC   _H41    82     1.09792   109.49016  -168.41583
   97    90 S   CT   _C24    67     1.53852   108.08395   172.77670
   98    97 S   HC   _H61    68     1.09512   111.56216    72.34374
   99    97 S   HC   _H62    69     1.09534   111.01985   -47.74710
  100    97 S   HC   _H63    70     1.09248   111.76428  -166.24305
  101    94 S   CT   _C13    83     1.52428   111.57294    71.25529
  102   101 S   HC   _H47    84     1.09661   110.88488   -69.48792
  103   101 S   CT   _C17    85     1.52922   110.06199    52.75660
  104   103 S   HC   _H51    86     1.09699   109.10035    69.60540
  105   101 S   OH   _O34    96     1.42609   109.25692   172.62049
  106   105 S   HO   _H78    97     0.97243   107.54269    59.97182
  107   103 S   CT   _C19    87     1.53274   110.45380   -51.90114
  108   107 S   HC   _H53    88     1.09381   109.63588   -66.86896
  109   103 S   OH   _O37    94     1.42708   109.74792  -173.45114
  110   109 S   HO   _H81    95     0.97242   108.02889    59.55168
  111    88 S   OS   _O33    89     1.42960   113.85753   -75.66764
  112   107 S   CT   _C28    90     1.52531   111.47310   174.23850
  113   112 S   HC   _H73    91     1.09557   110.88497   -60.52075
  114   112 S   HC   _H74    92     1.09461   110.36182  -178.34720
  115   112 S   HC   _H75    93     1.09393   111.70654    60.95182
  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   7   5   4   3
  11   5   4   2   1   1  14   7  15   5  13   5   4  13   8  17
   7   5   2   1   1  15   9   3   1  13   7   5   2   1   1  10
   4   2   1   1  11   4  13   8  20   7   5   2   1   1  14   9
  10  13   6   5   2   1   1  12   6   7   5   2   1  11   6   5
   3   2   1   1  11   6  12   7   3   1   8   6   3   1   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    90    43    44    45  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    47    48    82    90    91    43    44    45    97    50  
   41    42    46    90    43    44    45  
   42    46    47    48    49    54    90    43    44    45    56    50    51    52    53  
   46    47    48    43    50  
   44    45    97    98    99   100    92    46    79    82    83    90    91  
   45    97    82    90    91  
   97    82    90    91  
   47    48    49    54    55    58    60    56    57    50    51    52    53  
   48    49    54    56    50    51    52    53  
   49    54    55    58    59    64    65    60    61    62    63    56    57    50    51    52    53  
   54    55    58    60    56    57    50  
   51    52    53    54    56  
   52    53  
   53  
    0  
   55    58    59    64    69    65    66    67    68    60    61    62    63    56    57  
   58    59    64    65    60    61    62    63    56  
   57    58    60  
    0  
   59    64    69    70    71    65    66    67    68    60    61    62    63  
   64    69    65    66    67    68    60  
   61    62    63    64    65  
   62    63  
   63  
    0  
   69    70    71    72    73    75    65    66    67    68  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74    79    81    75    76    77    78  
   71    72    73    75  
   72    73    74    79    80    82    84    81    88    75    76    77    78  
   73    74    79    81    75    76    77    78  
   74    79    80    82    83    90    92    84    85    86    87    81    88    89    94   111    75    76    77    78  
   79    80    82    84    81    88    75  
   76    77    78    79    81  
   77    78  
   78  
    0  
   80    82    83    90    91    97    92    93    84    85    86    87    81    88  
   82    83    90    92    84    85    86    87    81  
   88    89    94    95    96   101   107   111    82    84  
   83    90    91    97    98    99   100    92    93    84    85    86    87  
   90    91    97    92    93    84  
   85    86    87    90    92  
   86    87  
   87  
    0  
   89    94    95    96   101   102   103   107   108   111   112   105  
   94    95    96   101   107   111  
   91    97    98    99   100    92    93  
   97    98    99   100    92  
   93    97  
    0  
   95    96   101   102   103   104   107   111   109   105   106  
   96   101   102   103   111   105  
  101   102   103   111   105  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   107   108   111   112   109   110   105   106  
  103   104   107   109   105   106  
  104   107   108   111   112   113   114   115   109   110   105   106  
  107   108   111   112   109   110   105  
  106   107   109  
    0  
  108   111   112   113   114   115   109   110  
  111   112   113   114   115   109  
  110   111   112  
    0  
  112   113   114   115  
  113   114   115  
  114   115  
  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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  107   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   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
  111   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    64   320.000  1.410
   58    65   268.000  1.529
   64    69   214.000  1.327
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   268.000  1.529
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    82   268.000  1.529
   79    84   268.000  1.529
   82    83   340.000  1.090
   82    90   268.000  1.529
   82    92   320.000  1.410
   90    91   340.000  1.090
   90    43   268.000  1.529
   90    97   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   92    93   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   81    88   320.000  1.380
   88    89   340.000  1.090
   88    94   250.000  1.527
   88   111   320.000  1.380
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   268.000  1.529
  101   105   320.000  1.410
  103   104   340.000  1.090
  103   107   268.000  1.529
  103   109   320.000  1.410
  107   108   340.000  1.090
  107   111   320.000  1.410
  107   112   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  109   110   553.000  0.945
  105   106   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    70.00000  116.00000
   39    43    90    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   41    39    40    90.00000  108.74100
   41    46    47    35.00000  109.50000
   41    46    48    63.00000  111.10000
   41    46    50    63.00000  111.10000
   46    41    42    80.00000  120.40000
   46    48    49    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    48    56    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    60    58.35000  112.70000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    64    50.00000  109.50000
   54    58    65    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    64    69    83.00000  116.90000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   64    58    59    35.00000  109.50000
   64    69    70    83.00000  123.40000
   64    69    71    81.00000  111.40000
   69    71    72    35.00000  109.50000
   69    71    73    63.00000  111.10000
   69    71    75    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    73    74    37.50000  110.70000
   71    73    79    58.35000  112.70000
   71    73    81    50.00000  109.50000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   73    71    72    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    82    58.35000  112.70000
   73    79    84    58.35000  112.70000
   73    81    88    60.00000  109.50000
   79    73    74    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    90    58.35000  112.70000
   79    82    92    50.00000  109.50000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   82    79    80    37.50000  110.70000
   82    90    91    37.50000  110.70000
   82    90    43    58.35000  112.70000
   82    90    97    58.35000  112.70000
   82    92    93    55.00000  108.50000
   90    82    83    37.50000  110.70000
   90    43    44    37.50000  110.70000
   90    43    45    37.50000  110.70000
   90    97    98    37.50000  110.70000
   90    97    99    37.50000  110.70000
   90    97   100    37.50000  110.70000
   43    39    40    50.00000  109.50000
   43    39    41    63.00000  111.10000
   43    90    91    37.50000  110.70000
   45    43    44    33.00000  107.80000
   97    90    91    37.50000  110.70000
   97    90    43    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   92    82    83    35.00000  109.50000
   92    82    90    50.00000  109.50000
   84    79    80    37.50000  110.70000
   84    79    82    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   81    88    89    35.00000  109.50000
   81    88    94    90.00000  108.56700
   81    88   111    92.60000  111.55000
   88    94    95    45.00000  108.72000
   88    94    96    45.00000  108.72000
   88    94   101    75.00000  109.43000
   88   111   107    60.00000  109.50000
   94    88    89    45.00000  112.01100
   94   101   102    37.50000  110.70000
   94   101   103    58.35000  112.70000
   94   101   105    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   107    58.35000  112.70000
  101   103   109    50.00000  109.50000
  101   105   106    55.00000  108.50000
  103   101   102    37.50000  110.70000
  103   107   108    37.50000  110.70000
  103   107   111    50.00000  109.50000
  103   107   112    58.35000  112.70000
  103   109   110    55.00000  108.50000
  107   103   104    37.50000  110.70000
  107   112   113    37.50000  110.70000
  107   112   114    37.50000  110.70000
  107   112   115    37.50000  110.70000
  111    88    89    35.00000  109.50000
  111    88    94    90.00000  108.56700
  111   107   108    35.00000  109.50000
  112   107   108    37.50000  110.70000
  112   107   111    50.00000  109.50000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  109   103   104    35.00000  109.50000
  109   103   107    50.00000  109.50000
  105   101   102    35.00000  109.50000
  105   101   103    50.00000  109.50000
   75    71    72    37.50000  110.70000
   75    71    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    64    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    46    48    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
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   94   101   105   106  -0.09450 -1.0 2.0
   94   101   105   106   0.21250  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   95    94   101   105   0.23400  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
   96    94   101   105   0.23400  1.0 3.0
  101   103   107   108   0.15000  1.0 3.0
  101   103   107   111   0.62750  1.0 1.0
  101   103   107   111  -0.30950 -1.0 2.0
  101   103   107   111   0.27300  1.0 3.0
  101   103   107   112   0.56750  1.0 1.0
  101   103   107   112  -0.07550 -1.0 2.0
  101   103   107   112   0.20000  1.0 3.0
  101   103   109   110  -0.11600  1.0 1.0
  101   103   109   110  -0.09450 -1.0 2.0
  101   103   109   110   0.21250  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   107   0.15000  1.0 3.0
  102   101   103   109   0.23400  1.0 3.0
  102   101   105   106   0.19450  1.0 3.0
  103   101   105   106  -0.11600  1.0 1.0
  103   101   105   106  -0.09450 -1.0 2.0
  103   101   105   106   0.21250  1.0 3.0
  103   107  -111    88   0.06250  1.0 1.0
  103   107  -111    88  -0.01100 -1.0 2.0
  103   107  -111    88   0.28050  1.0 3.0
  103   107   112   113   0.15000  1.0 3.0
  103   107   112   114   0.15000  1.0 3.0
  103   107   112   115   0.15000  1.0 3.0
  104   103   107   108   0.15000  1.0 3.0
  104   103   107   111   0.23400  1.0 3.0
  104   103   107   112   0.15000  1.0 3.0
  104   103   109   110   0.19450  1.0 3.0
  107   103   109   110  -0.11600  1.0 1.0
  107   103   109   110  -0.09450 -1.0 2.0
  107   103   109   110   0.21250  1.0 3.0
  108   107   111    88   0.37050  1.0 3.0
  108   107   112   113   0.15000  1.0 3.0
  108   107   112   114   0.15000  1.0 3.0
  108   107   112   115   0.15000  1.0 3.0
  111    88    94    95   0.23400  1.0 3.0
  111    88    94    96   0.23400  1.0 3.0
  111    88   -94   101   0.62750  1.0 1.0
  111    88   -94   101  -0.30950 -1.0 2.0
  111    88   -94   101   0.27300  1.0 3.0
  111   107   112   113   0.23400  1.0 3.0
  111   107   112   114   0.23400  1.0 3.0
  111   107   112   115   0.23400  1.0 3.0
  112   107   111    88   0.06250  1.0 1.0
  112   107   111    88  -0.01100 -1.0 2.0
  112   107   111    88   0.28050  1.0 3.0
  109   103   107   108   0.23400  1.0 3.0
  109   103   107   111   3.69350  1.0 1.0
  109   103   107   111  -1.82950 -1.0 2.0
  109   103   107   112   0.86500  1.0 1.0
  109   103   107   112  -0.17500 -1.0 2.0
  109   103   107   112   0.20800  1.0 3.0
  105   101   103   104   0.23400  1.0 3.0
  105   101   103   107   0.86500  1.0 1.0
  105   101   103   107  -0.17500 -1.0 2.0
  105   101   103   107   0.20800  1.0 3.0
  105   101   103   109   3.75450  1.0 1.0
   75    71    73    74   0.15000  1.0 3.0
   75    71    73    79   0.56750  1.0 1.0
   75    71    73    79  -0.07550 -1.0 2.0
   75    71    73    79   0.20000  1.0 3.0
   75    71    73    81   0.62750  1.0 1.0
   75    71    73    81  -0.30950 -1.0 2.0
   75    71    73    81   0.27300  1.0 3.0
   65    58    64    69  -0.25900  1.0 1.0
   65    58    64    69  -0.47000 -1.0 2.0
   65    58    64    69   0.11750  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    64   0.62750  1.0 1.0
   60    54    58    64  -0.30950 -1.0 2.0
   60    54    58    64   0.27300  1.0 3.0
   60    54    58    65   0.56750  1.0 1.0
   60    54    58    65  -0.07550 -1.0 2.0
   60    54    58    65   0.20000  1.0 3.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    60   0.86500  1.0 1.0
   56    48    54    60  -0.17500 -1.0 2.0
   56    48    54    60   0.20800  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.56750  1.0 1.0
   50    46    48    54  -0.07550 -1.0 2.0
   50    46    48    54   0.20000  1.0 3.0
   50    46    48    56   0.86500  1.0 1.0
   50    46    48    56  -0.17500 -1.0 2.0
   50    46    48    56   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
   38    30    36    37  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   64    71    69    70  10.50000 -1.0 2.0
END
