* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    205    338     623
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056    85.33482    47.64717
    3     1 S   H    _H1_     3     1.02125    33.74106  -177.79460
    4     1 S   H    _H2_     4     1.02125    94.74503   -60.83648
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.85042    97.27658   161.84290
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.51157   106.95892    39.98272
   38    37 S   HC   _H36    38     1.09230   115.66988   -60.89052
   39    33 S   CT   _C23   100     1.54661   105.71650   -73.98835
   40    39 S   HC   _H52   101     1.08223   108.81552   -66.15596
   41    39 S   HC   _H53   102     1.08202   108.83741   173.78839
   42    39 S   HC   _H54   103     1.08220   108.86468    53.85143
   43    37 S   CMA  _C5_    39     1.34943   126.87442   122.13339
   44    43 S   OM   _O26    40     1.26365   128.33086   175.19454
   45    43 S   CT   _C10    41     1.54302   119.01975    -3.15424
   46    45 S   HC   _H41    42     1.09989   106.74182    99.43694
   47    45 S   CT   _C20    43     1.58874   115.91230   -21.22692
   48    45 S   OH   _O33    98     1.43144   110.42726  -145.49593
   49    48 S   HO   _H67    99     0.96778   106.21537   -60.02150
   50    33 S   CT   _C12    44     1.56652   114.75690   164.93261
   51    50 S   HC   _H43    45     1.10212   104.39361   160.99827
   52    47 S   CT   _C24    94     1.55078   108.75394   -71.20121
   53    52 S   HC   _H55    95     1.08034   108.66214  -179.94065
   54    52 S   HC   _H56    96     1.08095   108.59664    60.01571
   55    52 S   HC   _H57    97     1.08114   108.63244   -59.97224
   56    50 S   CT   _C8_    46     1.54304   113.99581    46.01976
   57    56 S   HC   _H37    47     1.09293   111.58792   -72.70631
   58    56 S   HC   _H38    48     1.09604   109.71900    45.13242
   59    56 S   CT   _C16    49     1.52664   110.73164   164.04671
   60    59 S   HC   _H47    50     1.09769   108.20481   178.39307
   61    59 S   CT   _C19    51     1.52556   113.02893    56.31652
   62    61 S   CT   _C9_    52     1.53822   112.33994    70.99371
   63    62 S   HC   _H39    53     1.09161   113.98908   -35.96376
   64    62 S   HC   _H40    54     1.09618   113.17639    85.55047
   65    61 S   CT   _C13    63     1.57236   107.57958  -169.51682
   66    65 S   HC   _H44    64     1.10180   107.39620   -58.95352
   67    62 S   OS   _O30    55     1.43889   106.50499  -154.63921
   68    65 S   CT   _C11    65     1.53236   110.32578    55.90998
   69    68 S   HC   _H42    66     1.09461   111.19685    74.09467
   70    67 S   CO   _C21    56     1.44509   108.17800     2.84950
   71    68 S   CO4  _C6_    67     1.50775   114.58054   -48.83165
   72    71 S   O    _O27    68     1.22926   122.32885  -152.02996
   73    68 S   OS   _O36    70     1.42516   110.28796  -166.21509
   74    47 S   CT   _C14    57     1.61305   109.00233   165.15010
   75    74 S   HC   _H45    58     1.09480   104.83898   -34.53974
   76    70 S   CT   _C17    59     1.54706   107.46509   -92.40196
   77    76 S   HC   _H48    60     1.09847   110.01900   -66.33977
   78    59 S   OS   _O29    69     1.45002   105.19530   -68.83228
   79    73 S   CO4  _C7_    71     1.36745   115.73938  -151.62882
   80    79 S   O    _O28    72     1.22448   125.64530     0.00000
   81    70 S   OH   _O35    92     1.41519   111.02686   149.62043
   82    81 S   HO   _H69    93     0.97328   107.10984    62.39778
   83    76 S   CT   _C15    61     1.54177   112.81165    54.67016
   84    83 S   HC   _H46    62     1.10040   105.39118   -75.84102
   85    79 S   CT   _C28    73     1.51993   109.78151  -178.79066
   86    85 S   HC   _H66    74     1.09793   108.69948    28.79810
   87    76 S   OH   _O34    90     1.42823   109.14229   176.82491
   88    87 S   HO   _H68    91     0.96806   106.35735   -64.00315
   89    85 S   CT   _C26    75     1.52614   108.33203   -89.45449
   90    89 S   HC   _H61    76     1.09552   111.33905   -61.87914
   91    89 S   HC   _H62    77     1.09441   110.94647    58.70094
   92    89 S   HC   _H63    78     1.09655   110.85039   178.56509
   93    85 S   CT   _C27    79     1.53492   111.50096   148.20906
   94    93 S   HC   _H64    80     1.09793   109.34659    60.72875
   95    93 S   HC   _H65    81     1.09667   110.61655   178.14375
   96    83 S   CT   _C22    86     1.52994   111.74919   171.35198
   97    96 S   HC   _H49    87     1.08774   109.72977   -66.59224
   98    96 S   HC   _H50    88     1.08846   109.68743   173.39419
   99    96 S   HC   _H51    89     1.08761   109.65945    53.42323
  100    93 S   CT   _C25    82     1.52293   112.58133   -59.62492
  101   100 S   HC   _H58    83     1.09367   111.56566   -58.98574
  102   100 S   HC   _H59    84     1.09479   110.04861  -178.68181
  103   100 S   HC   _H60    85     1.09482   110.98082    61.90656
  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
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  15   6   8   3   2   1  10   5   4  16   6  19  13   5   4
  21   9   9  13   6  11   5   2   8   8   2  11   6   1  11   4
   3   1   7   5  12   8   2   1   7   3   2   1   6   5   4   3
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    59    74    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    74    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    70    74    75    52    53    54    55    48    49  
   47    50    74    52    48    49  
   50    51    56    57    58    59    61    62    67    70    74    75    76    65    81    52    53    54    55    48    49  
   49    50    52    74  
    0  
   51    56    57    58    59    60    61    70    74    75    78    52    53    54    55  
   56    57    58    59    74    52  
   53    54    55    56    61    70    74    75  
   54    55    74  
   55    74  
   74  
   57    58    59    60    61    62    74    65    71    78  
   58    59    60    61    78  
   59    60    61    78  
   60    61    62    63    64    67    70    74    75    83    65    66    68    71    72    78  
   61    62    74    65    71    78  
   62    63    64    67    70    74    75    76    83    84    65    66    68    69    71    78    73    96    81  
   63    64    67    70    74    75    76    83    65    66    68    78    81  
   64    67    70    74    65  
   67    70    74    65  
   66    68    69    71    72    78    73    79    96    97    98    99    87    67    70    74    75    76    77    83    84  
   68    69    71    73    96    74    76    83    84  
   70    74    75    76    77    83    87    81    82  
   69    71    72    78    73    79    80    85    96    74    76    83    84  
   71    72    78    73    79    83  
   74    75    76    77    83    84    96    87    88    81    82  
   72    78    73    79    83  
   78    73  
   79    80    85    86    89    93    78    83  
   75    76    77    83    78    87    81    82  
   76    81  
   77    83    84    96    97    98    99    87    88    81    82  
   83    84    96    87    88    81  
    0  
   80    85    86    89    90    91    92    93    94    95   100  
   85    86    89    93  
   82    83    87  
    0  
   84    96    97    98    99    87    88  
   96    97    98    99    87  
   86    89    90    91    92    93    94    95   100   101   102   103  
   89    90    91    92    93    94    95   100  
   88    96  
    0  
   90    91    92    93    94    95   100  
   91    92    93  
   92    93  
   93  
   94    95   100   101   102   103  
   95   100   101   102   103  
  100   101   102   103  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103  
  102   103  
  103  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    74   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    78   320.000  1.410
   61    62   268.000  1.529
   61    74   268.000  1.529
   61    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.410
   67    70   320.000  1.380
   70    74   250.000  1.527
   70    76   250.000  1.527
   70    81   380.000  1.407
   74    75   340.000  1.090
   76    77   340.000  1.090
   76    83   268.000  1.529
   76    87   320.000  1.410
   83    84   340.000  1.090
   83    65   268.000  1.529
   83    96   268.000  1.529
   65    66   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    71   317.000  1.522
   68    73   320.000  1.410
   71    72   570.000  1.229
   71    78   214.000  1.327
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    85   317.000  1.522
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    93   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   87    88   553.000  0.945
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    74    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    74    61    58.35000  112.70000
   47    74    70    75.00000  109.43000
   47    74    75    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    78    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    58.35000  112.70000
   59    61    74    58.35000  112.70000
   59    61    65    58.35000  112.70000
   59    78    71    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    67    50.00000  109.50000
   61    74    70    75.00000  109.43000
   61    74    75    37.50000  110.70000
   61    65    83    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   62    67    70    60.00000  109.50000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    70    74    90.00000  108.56700
   67    70    76    90.00000  108.56700
   67    70    81   110.00000  112.08000
   70    74    75    45.00000  108.72000
   70    76    77    45.00000  108.72000
   70    76    83    75.00000  109.43000
   70    76    87    90.00000  111.58700
   70    81    82    70.00000  107.92000
   74    47    50    58.35000  112.70000
   74    61    62    58.35000  112.70000
   76    70    74    65.00000  112.71400
   76    83    84    37.50000  110.70000
   76    83    65    58.35000  112.70000
   76    83    96    58.35000  112.70000
   76    87    88    55.00000  108.50000
   83    76    77    37.50000  110.70000
   83    65    66    37.50000  110.70000
   83    65    68    58.35000  112.70000
   83    96    97    37.50000  110.70000
   83    96    98    37.50000  110.70000
   83    96    99    37.50000  110.70000
   65    61    62    58.35000  112.70000
   65    61    74    58.35000  112.70000
   65    83    84    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    71    63.00000  111.10000
   65    68    73    50.00000  109.50000
   68    65    66    37.50000  110.70000
   68    71    72    80.00000  120.40000
   68    71    78    81.00000  111.40000
   68    73    79    83.00000  116.90000
   71    68    69    35.00000  109.50000
   78    59    60    35.00000  109.50000
   78    59    61    50.00000  109.50000
   78    71    72    83.00000  123.40000
   73    68    69    35.00000  109.50000
   73    68    71    90.00000  108.74100
   73    79    80    83.00000  123.40000
   73    79    85    81.00000  111.40000
   79    85    86    35.00000  109.50000
   79    85    89    63.00000  111.10000
   79    85    93    63.00000  111.10000
   85    79    80    80.00000  120.40000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    92    37.50000  110.70000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93   100    58.35000  112.70000
   89    85    86    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    85    86    37.50000  110.70000
   93    85    89    58.35000  112.70000
   93   100   101    37.50000  110.70000
   93   100   102    37.50000  110.70000
   93   100   103    37.50000  110.70000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   96    83    84    37.50000  110.70000
   96    83    65    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
   87    76    77    35.00000  109.50000
   87    76    83    50.00000  109.50000
   81    70    74    90.00000  110.19100
   81    70    76    90.00000  110.19100
   52    47    50    58.35000  112.70000
   52    47    74    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
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   79    85    93    95  -0.11250  1.0 3.0
   79    85    93   100  -0.95700  1.0 1.0
   79    85    93   100  -0.18200 -1.0 2.0
   79    85    93   100   0.29450  1.0 3.0
   80    79    85    86   0.00000  1.0 1.0
   80    79    85    89   0.30150 -1.0 2.0
   80    79    85    93   0.30150 -1.0 2.0
   85    93   100   101   0.15000  1.0 3.0
   85    93   100   102   0.15000  1.0 3.0
   85    93   100   103   0.15000  1.0 3.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    91   0.15000  1.0 3.0
   86    85    89    92   0.15000  1.0 3.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    95   0.15000  1.0 3.0
   86    85    93   100   0.15000  1.0 3.0
   89    85    93    94   0.15000  1.0 3.0
   89    85    93    95   0.15000  1.0 3.0
   89    85    93   100   0.56750  1.0 1.0
   89    85    93   100  -0.07550 -1.0 2.0
   89    85    93   100   0.20000  1.0 3.0
   93    85    89    90   0.15000  1.0 3.0
   93    85    89    91   0.15000  1.0 3.0
   93    85    89    92   0.15000  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   103   0.15000  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   102   0.15000  1.0 3.0
   95    93   100   103   0.15000  1.0 3.0
   96    83    65    61   0.56750  1.0 1.0
   96    83    65    61  -0.07550 -1.0 2.0
   96    83    65    61   0.20000  1.0 3.0
   96    83    65    66   0.15000  1.0 3.0
   96    83    65    68   0.56750  1.0 1.0
   96    83    65    68  -0.07550 -1.0 2.0
   96    83    65    68   0.20000  1.0 3.0
   87    76    83    84   0.23400  1.0 3.0
   87    76    83    65   0.86500  1.0 1.0
   87    76    83    65  -0.17500 -1.0 2.0
   87    76    83    65   0.20800  1.0 3.0
   87    76    83    96   0.86500  1.0 1.0
   87    76    83    96  -0.17500 -1.0 2.0
   87    76    83    96   0.20800  1.0 3.0
   81    70    74    47   0.86500  1.0 1.0
   81    70    74    47  -0.17500 -1.0 2.0
   81    70    74    47   0.20800  1.0 3.0
   81    70    74    61   0.86500  1.0 1.0
   81    70    74    61  -0.17500 -1.0 2.0
   81    70    74    61   0.20800  1.0 3.0
   81    70    74    75   0.23400  1.0 3.0
   81    70    76    77   0.23400  1.0 3.0
   81    70    76    83   0.86500  1.0 1.0
   81    70    76    83  -0.17500 -1.0 2.0
   81    70    76    83   0.20800  1.0 3.0
   81    70    76    87   3.75450  1.0 1.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   0.56750  1.0 1.0
   52    47    50    56  -0.07550 -1.0 2.0
   52    47    50    56   0.20000  1.0 3.0
   52    47    74    61   0.56750  1.0 1.0
   52    47    74    61  -0.07550 -1.0 2.0
   52    47    74    61   0.20000  1.0 3.0
   52    47    74    70   3.97050  1.0 1.0
   52    47    74    75   0.15000  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    74   0.86500  1.0 1.0
   48    45    47    74  -0.17500 -1.0 2.0
   48    45    47    74   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  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    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   68    78    71    72  10.50000 -1.0 2.0
   73    85    79    80  10.50000 -1.0 2.0
END
