* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    218    360     651
    1     0 S   NP   _N1_     1    28.81195    95.10418   -25.72792
    2     1 S   H    _HN1     2     1.02791   117.95480   -97.20952
    3     1 S   H    _H1_     3     1.02949    78.44007     7.60625
    4     1 S   H    _H2_     4     1.02828    28.63698  -172.96057
    5     1 S   CT   _CA1     5     1.50119   122.79535   114.56362
    6     5 S   HC   _HA1     6     1.09573   105.17732    88.50129
    7     5 S   CO3  _C1_     7     1.53785   112.49529   -31.72295
    8     7 S   O2Z  _O11     8     1.26376   115.00508   -41.83053
    9     7 S   O2Z  _O12     9     1.26241   114.94860   137.27072
   10     5 S   CT   _CB1    10     1.53072   107.41412  -153.50619
   11    10 S   HC   HB11    11     1.09837   109.36161   -49.41902
   12    10 S   HC   HB12    12     1.09812   110.45336    67.19123
   13    10 S   CT   _CG1    13     1.52999   112.61692  -170.37234
   14    13 S   HC   HG11    14     1.09576   110.67761   -66.41390
   15    13 S   HC   HG12    15     1.09671   109.74154    52.82501
   16    13 S   C    _CD1    16     1.51801   112.14492   173.29911
   17    16 S   O    _OE1    17     1.22740   123.25324     9.33222
   18    16 S   N    _N2_    18     1.38653   111.73264  -170.70859
   19    18 S   H    _HN2    19     1.01573   118.93643     1.56698
   20    18 S   CT1  _CA2    20     1.46206   123.40362   177.23565
   21    20 S   HC   _HA2    21     1.09736   109.33371     6.11459
   22    20 S   C    _C2_    22     1.53617   108.70418  -109.43195
   23    22 S   O    _O2_    23     1.23074   122.24694  -147.59101
   24    20 S   CT   _CB2    32     1.53365   111.61961   128.13961
   25    24 S   HC   HB21    33     1.09497   109.83647    56.61418
   26    24 S   HC   HB22    34     1.09512   110.07770   175.64481
   27    22 S   N    _N3_    24     1.38314   113.80496    39.82379
   28    27 S   H    _HN3    25     1.01562   119.63373    -3.07498
   29    24 S   S    _SG2    35     1.82654   111.54223   -64.37089
   30    27 S   CT   _CA3    26     1.45293   123.24980   177.23593
   31    30 S   HC   HA31    27     1.09548   107.49598   -65.12424
   32    30 S   HC   HA32    28     1.09556   108.01042    51.32987
   33    29 S   CT   _C15    36     1.84065    99.84022  -170.96449
   34    33 S   HC   _H3_    37     1.09681   107.18758    52.73184
   35    30 S   CO3  _C3_    29     1.52972   114.05666   173.34295
   36    35 S   O2Z  _O31    30     1.26379   116.07019    -0.52039
   37    35 S   O2Z  _O32    31     1.26424   114.41937   179.54200
   38    33 S   CM   _C4_    38     1.50075   109.16913   168.54645
   39    38 S   HC   _H36    39     1.09088   116.81198   -26.47246
   40    38 S   CMA  _C7_    40     1.35289   125.78277   151.10781
   41    40 S   OM   _O29    41     1.26314   126.13440  -173.49296
   42    40 S   CT   _C23    42     1.60030   119.98318     5.56063
   43    42 S   CT   _C16    43     1.61984   110.80229   112.07637
   44    43 S   HC   _H50    44     1.10171   106.16632   -50.36008
   45    42 S   C3T  _C25    94     1.56994   110.61024    -8.45145
   46    42 S   CT   _C28   104     1.56455   109.13998  -125.52451
   47    46 S   HC   _H63   105     1.09445   112.01927  -178.61690
   48    46 S   HC   _H64   106     1.09593   110.95332    61.98715
   49    46 S   HC   _H65   107     1.09409   113.21551   -58.00100
   50    43 S   CT   _C11    45     1.56011   114.46503    65.84237
   51    50 S   HC   _H41    46     1.09361   110.38727    49.10193
   52    50 S   HC   _H42    47     1.09345   109.84009   -68.12074
   53    33 S   CT   _C21    95     1.52959   112.34913   -68.86707
   54    53 S   HC   _H55    96     1.09594   109.66352    63.02745
   55    81 S   O3T  _O34    99     1.42396   115.41287   -47.97698
   56    50 S   CT   _C13    48     1.53690   116.05860   172.49737
   57    56 S   HC   _H45    49     1.09787   108.62250    69.67060
   58    56 S   HC   _H46    50     1.09350   107.94653  -175.59820
   59    53 S   OH   _O35    97     1.42794   111.94493   -54.89119
   60    59 S   HO   _H72    98     0.97248   107.11790  -175.03178
   61    56 S   CT   _C24    51     1.53356   112.29643   -52.55219
   62    61 S   CT   _C17    52     1.54503   105.22268    58.20387
   63    62 S   HC   _H51    53     1.10345   108.04710    54.94255
   64    61 S   CT   _C29   100     1.54443   110.37029   -64.57225
   65    64 S   HC   _H66   101     1.09441   112.36628  -177.45386
   66    64 S   HC   _H67   102     1.09331   112.80604    62.14069
   67    64 S   HC   _H68   103     1.09491   110.85156   -56.87488
   68    62 S   CT   _C10    54     1.52335   103.79698   167.14866
   69    68 S   HC   _H39    55     1.09483   112.13869  -155.13217
   70    68 S   HC   _H40    56     1.09588   111.45815    84.19717
   71    43 S   CT   _C18    87     1.56615   112.53876  -166.06343
   72    71 S   HC   _H52    88     1.09512   109.36751   -53.96200
   73    68 S   CT   _C12    57     1.53342   104.24573   -34.89762
   74    73 S   HC   _H43    58     1.09417   109.06015   130.65249
   75    73 S   HC   _H44    59     1.09586   110.48170  -111.79667
   76    71 S   CT   _C14    89     1.53181   110.27661    64.83359
   77    76 S   HC   _H47    90     1.09732   109.92380    70.77821
   78    76 S   HC   _H48    91     1.09621   110.10973  -172.04678
   79    61 S   CT   _C19    60     1.56679   115.40277   166.79942
   80    79 S   HC   _H53    61     1.10003   105.75169   -41.49287
   81    76 S   C3T  _C20    92     1.47799   113.46168   -50.25141
   82    81 S   HC   _H54    93     1.08235   112.27821   173.49914
   83    79 S   CT   _C31    62     1.56455   121.36850    79.42906
   84    83 S   CT   _C22    63     1.56635   111.87098   178.54223
   85    84 S   HC   _H56    64     1.09855   108.63847   -63.43889
   86    83 S   CT   _C30    81     1.53531   111.57995   -56.64270
   87    86 S   HC   _H69    82     1.09565   111.57275  -171.73172
   88    86 S   HC   _H70    83     1.09405   111.99483   -50.50546
   89    86 S   HC   _H71    84     1.09391   111.26319    71.76439
   90    83 S   OH   _O36    85     1.43596   109.97201    59.93014
   91    90 S   HO   _H73    86     0.97108   108.91675    74.74775
   92    84 S   CT   _C9_    65     1.52451   114.91071    60.48433
   93    92 S   HC   _H37    66     1.09569   111.85686    55.23905
   94    92 S   HC   _H38    67     1.09481   109.75601   -64.68452
   95    92 S   CM   _C6_    68     1.50625   109.52630   175.03888
   96    95 S   CM   _C5_    69     1.34797   120.63411   -28.81069
   97    95 S   CT   _C27    77     1.50401   114.32342   151.83659
   98    97 S   HC   _H60    78     1.09472   110.13191   -70.70791
   99    97 S   HC   _H61    79     1.09220   113.54196   167.75988
  100    97 S   HC   _H62    80     1.09569   109.94997    48.56239
  101    96 S   CO4  _C8_    70     1.49120   119.36617    -5.25777
  102   101 S   O    _O30    71     1.22687   121.45459  -164.57863
  103    96 S   CT   _C26    73     1.50174   125.70923   177.49610
  104   103 S   HC   _H57    74     1.09469   110.32050   102.44888
  105   103 S   HC   _H58    75     1.09276   113.04747   -19.14778
  106   103 S   HC   _H59    76     1.09587   110.47653  -137.77118
  107    84 S   OS   _O33    72     1.44832   108.53332  -177.71741
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  10   4  14   4  21  24  10  16   8   2   1
   1  12   6   5   7   4   7  15   5   4   2   1  21  20   9   9
   3   2   1  11   6   5   8   4   8   4   3   4   3   2  12   4
   1   1  14  16   8   7   3   2   1   3   1  11   5   4  12  11
   5   2   1   1   6   2   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    53    54    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    81    45    53    54    59    60    55  
   38    39    40    45    53    54    59  
   36    37  
   37  
    0  
   39    40    41    42    43    45    53    54    59    46  
   40    41    42    53  
   41    42    43    44    50    71    81    45    53    55    46    47    48    49  
   42    43    45    46  
   43    44    50    51    52    56    62    71    72    76    81    82    45    53    54    59    55    46    47    48    49  
   44    50    51    52    56    57    58    61    62    63    68    71    72    76    77    78    81    45    53    55    46    47    48    49  
   50    51    52    56    62    71    72    76    45    46  
   53    54    59    60    55    46    47    48    49    50    71    76    77    78    81    82  
   47    48    49    50    53    55    71    81  
   48    49  
   49  
    0  
   51    52    56    57    58    61    62    79    71    72    76    64  
   52    56    57    58    61    71  
   56    57    58    61    71  
   54    59    60    55    76    81    82  
   59    60    55    81  
   59    71    76    77    78    81    82  
   57    58    61    62    63    68    73    79    80    83    71    64    65    66    67  
   58    61    62    79    64  
   61    62    79    64  
   60    81  
    0  
   62    63    68    69    70    73    74    75    79    80    83    84    86    90    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    80    83    71    72    76    77    78    81    64    65    66    67  
   68    69    70    73    79    71    72    76    64  
   65    66    67    68    71    73    79    80    83  
   66    67    79  
   67    79  
   79  
   69    70    73    74    75    79    80    83    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    81    82    73    79  
   76    77    78    81  
   74    75    79    80    83    84    86    90  
   75    79    80    83  
   79    80    83  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    92   107    86    87    88    89    90    91  
   83    84    86    90  
   82  
    0  
   84    85    92    93    94    95   101   107    86    87    88    89    90    91  
   85    92    93    94    95    96   101   102   107    97    86    87    88    89    90    91  
   92    93    94    95   101   107    86    90  
   87    88    89    90    91    92   107  
   88    89    90  
   89    90  
   90  
   91    92   107  
    0  
   93    94    95    96   101   107   103    97    98    99   100  
   94    95    96   107    97  
   95    96   107    97  
   96   101   102   107   103   104   105   106    97    98    99   100  
  101   102   107   103   104   105   106    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   107   103   104   105   106  
  107   103  
  104   105   106   107  
  105   106  
  106  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   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  -0.120000   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   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   275.000  1.510
   42    46   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    71   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   268.000  1.529
   61    79   268.000  1.529
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    83   268.000  1.529
   83    84   268.000  1.529
   83    86   268.000  1.529
   83    90   320.000  1.410
   84    85   340.000  1.090
   84    92   268.000  1.529
   84   107   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   107   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   553.000  0.945
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   275.000  1.510
   81    82   340.000  1.088
   81    45   260.000  1.509
   81    55   335.000  1.432
   45    53   275.000  1.510
   45    55   335.000  1.432
   53    54   340.000  1.090
   53    59   320.000  1.410
   59    60   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    53    45    70.00000  112.37300
   33    53    54    37.50000  110.70000
   33    53    59    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    46    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    50    58.35000  112.70000
   42    43    71    58.35000  112.70000
   42    45    81    60.00000  120.94000
   42    45    53    58.35000  112.70000
   42    45    55    80.00000  116.47100
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    56    58.35000  112.70000
   43    71    62    58.35000  112.70000
   43    71    72    37.50000  110.70000
   43    71    76    58.35000  112.70000
   50    43    44    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    61    62    58.35000  112.70000
   56    61    79    58.35000  112.70000
   56    61    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    79    73    58.35000  112.70000
   61    79    80    37.50000  110.70000
   61    79    83    58.35000  112.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    83    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    61    62    58.35000  112.70000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    83    84    58.35000  112.70000
   79    83    86    58.35000  112.70000
   79    83    90    50.00000  109.50000
   83    79    80    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    92    58.35000  112.70000
   83    84   107    50.00000  109.50000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   83    90    91    55.00000  108.50000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    70.00000  112.02700
   84   107   101    83.00000  116.90000
   92    84    85    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   107    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   106    35.00000  109.50000
  107    84    85    35.00000  109.50000
  107    84    92    50.00000  109.50000
  107   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    83    84    50.00000  109.50000
   90    83    86    50.00000  109.50000
   71    43    44    37.50000  110.70000
   71    43    50    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    70.00000  112.37300
   76    71    72    37.50000  110.70000
   76    81    82    40.00000  115.04500
   76    81    45    60.00000  120.94000
   76    81    55    80.00000  116.47100
   78    76    77    33.00000  107.80000
   81    76    77    45.00000  109.38400
   81    76    78    45.00000  109.38400
   81    45    53    60.00000  120.94000
   81    45    55    15.00000   60.43100
   81    55    45    15.00000   59.14900
   45    42    43    70.00000  112.37300
   45    81    82    37.50000  117.20000
   45    53    54    45.00000  109.38400
   45    53    59    50.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    59    60    55.00000  108.50000
   59    53    54    35.00000  109.50000
   55    81    82    50.00000  114.27700
   55    81    45    15.00000   60.43100
   55    45    53    80.00000  116.47100
   64    61    62    58.35000  112.70000
   64    61    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   46    42    43    58.35000  112.70000
   46    42    45    70.00000  112.37300
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
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   95    96   101   102   1.00000 -1.0 2.0
   95    96   101   107  -0.56150  1.0 1.0
   95    96   101   107   2.19150 -1.0 2.0
   95    96   103   104   0.00000  1.0 1.0
   95    96   103   105   0.00000  1.0 1.0
   95    96   103   106   0.00000  1.0 1.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   96   101  -107    84   2.00000 -1.0 2.0
  101    96   103   104   0.15000  1.0 3.0
  101    96   103   105   0.15000  1.0 3.0
  101    96   103   106   0.15000  1.0 3.0
  102   101   107    84   3.00000 -1.0 2.0
  107    84    92    93   0.23400  1.0 3.0
  107    84    92    94   0.23400  1.0 3.0
  107    84   -92    95   0.61850  1.0 1.0
  107    84   -92    95  -0.22750 -1.0 2.0
  107    84   -92    95   0.15300  1.0 3.0
  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   107  -0.15000  1.0 1.0
  103    96   101   107   0.89550 -1.0 2.0
  103    96   101   107  -0.06900  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    92   0.56750  1.0 1.0
   86    83    84    92  -0.07550 -1.0 2.0
   86    83    84    92   0.20000  1.0 3.0
   86    83    84   107   0.62750  1.0 1.0
   86    83    84   107  -0.30950 -1.0 2.0
   86    83    84   107   0.27300  1.0 3.0
   86    83    90    91  -0.11600  1.0 1.0
   86    83    90    91  -0.09450 -1.0 2.0
   86    83    90    91   0.21250  1.0 3.0
   90    83    84    85   0.23400  1.0 3.0
   90    83    84    92   0.86500  1.0 1.0
   90    83    84    92  -0.17500 -1.0 2.0
   90    83    84    92   0.20800  1.0 3.0
   90    83    84   107   3.69350  1.0 1.0
   90    83    84   107  -1.82950 -1.0 2.0
   90    83    86    87   0.23400  1.0 3.0
   90    83    86    88   0.23400  1.0 3.0
   90    83    86    89   0.23400  1.0 3.0
   71    43    50    51   0.15000  1.0 3.0
   71    43    50    52   0.15000  1.0 3.0
   71    43   -50    56   0.56750  1.0 1.0
   71    43   -50    56  -0.07550 -1.0 2.0
   71    43   -50    56   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76    81    82   0.15000  1.0 3.0
   71    76    81    45   0.07850  1.0 1.0
   71    76    81    45  -0.03950 -1.0 2.0
   71    76    81    45   0.67350  1.0 3.0
   71    76    81    55   0.02550  1.0 1.0
   71    76    81    55  -0.02600 -1.0 2.0
   71    76    81    55   1.20400  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   76    81   -45    42   0.56750  1.0 1.0
   76    81   -45    42  -0.07550 -1.0 2.0
   76    81   -45    42   0.20000  1.0 3.0
   76    81    45    53   0.56750  1.0 1.0
   76    81    45    53  -0.07550 -1.0 2.0
   76    81    45    53   0.20000  1.0 3.0
   76    81   -45    55   0.02550  1.0 1.0
   76    81   -45    55  -0.02600 -1.0 2.0
   76    81   -45    55   1.20400  1.0 3.0
   76    81   -55    45   0.06250  1.0 1.0
   76    81   -55    45  -0.01100 -1.0 2.0
   76    81   -55    45   0.28050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    45   0.15000  1.0 3.0
   77    76    81    55   0.23400  1.0 3.0
   78    76    81    82   0.15000  1.0 3.0
   78    76    81    45   0.15000  1.0 3.0
   78    76    81    55   0.23400  1.0 3.0
   81    45    53    33   0.07850  1.0 1.0
   81    45    53    33  -0.03950 -1.0 2.0
   81    45    53    33   0.67350  1.0 3.0
   81    45    53    54   0.15000  1.0 3.0
   81    45    53    59   0.86500  1.0 1.0
   81    45    53    59  -0.17500 -1.0 2.0
   81    45    53    59   0.20800  1.0 3.0
   82    81    45    42   0.15000  1.0 3.0
   82    81    45    53   0.15000  1.0 3.0
   82    81   -45    55   0.23400  1.0 3.0
   82    81   -55    45   0.36800  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    50   0.47050  1.0 1.0
   45    42    43    50   0.03900 -1.0 2.0
   45    42    43    50   0.20100  1.0 3.0
   45    42   -43    71   0.47050  1.0 1.0
   45    42   -43    71   0.03900 -1.0 2.0
   45    42   -43    71   0.20100  1.0 3.0
   45    42    46    47   0.15000  1.0 3.0
   45    42    46    48   0.15000  1.0 3.0
   45    42    46    49   0.15000  1.0 3.0
   45    53    59    60  -0.11600  1.0 1.0
   45    53    59    60  -0.09450 -1.0 2.0
   45    53    59    60   0.21250  1.0 3.0
   53    33    38    39   0.00000  1.0 1.0
   53    33   -38    40   0.09850  1.0 1.0
   53    33   -38    40   0.15250 -1.0 2.0
   53    33   -38    40  -0.50650  1.0 3.0
   53    45   -55    81   0.06250  1.0 1.0
   53    45   -55    81  -0.01100 -1.0 2.0
   53    45   -55    81   0.28050  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   55    81   -45    42   0.02550  1.0 1.0
   55    81   -45    42  -0.02600 -1.0 2.0
   55    81   -45    42   1.20400  1.0 3.0
   55    81   -45    53   0.02550  1.0 1.0
   55    81   -45    53  -0.02600 -1.0 2.0
   55    81   -45    53   1.20400  1.0 3.0
   55    45    53    33   0.02550  1.0 1.0
   55    45    53    33  -0.02600 -1.0 2.0
   55    45    53    33   1.20400  1.0 3.0
   55    45    53    54   0.23400  1.0 3.0
   55    45    53    59   3.69350  1.0 1.0
   55    45    53    59  -1.82950 -1.0 2.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    79    73   0.56750  1.0 1.0
   64    61    79    73  -0.07550 -1.0 2.0
   64    61    79    73   0.20000  1.0 3.0
   64    61    79    80   0.15000  1.0 3.0
   64    61    79    83   0.56750  1.0 1.0
   64    61    79    83  -0.07550 -1.0 2.0
   64    61    79    83   0.20000  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    50   0.56750  1.0 1.0
   46    42    43    50  -0.07550 -1.0 2.0
   46    42    43    50   0.20000  1.0 3.0
   46    42    43    71   0.56750  1.0 1.0
   46    42    43    71  -0.07550 -1.0 2.0
   46    42    43    71   0.20000  1.0 3.0
   46    42    45    81   0.07850  1.0 1.0
   46    42    45    81  -0.03950 -1.0 2.0
   46    42    45    81   0.67350  1.0 3.0
   46    42    45    53   0.56750  1.0 1.0
   46    42    45    53  -0.07550 -1.0 2.0
   46    42    45    53   0.20000  1.0 3.0
   46    42    45    55   0.02550  1.0 1.0
   46    42    45    55  -0.02600 -1.0 2.0
   46    42    45    55   1.20400  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   107   101   102  10.50000 -1.0 2.0
END
