* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    204    333     613
    1     0 S   NP   _N1_     1    28.71570    95.59330   -23.03864
    2     1 S   H    _HN1     2     1.02787   102.13604   -99.43345
    3     1 S   H    _H1_     3     1.02949    78.77969     7.17739
    4     1 S   H    _H2_     4     1.02828    32.88640   156.32647
    5     1 S   CT   _CA1     5     1.50115   138.28409   115.33760
    6     5 S   HC   _HA1     6     1.09573   105.19206    81.65020
    7     5 S   CO3  _C1_     7     1.53785   112.43586   -38.58096
    8     7 S   O2Z  _O11     8     1.26371   115.00944   -43.06803
    9     7 S   O2Z  _O12     9     1.26237   114.94461   136.01537
   10     5 S   CT   _CB1    10     1.53073   107.41422  -160.37968
   11    10 S   HC   HB11    11     1.09834   109.36715   -49.67977
   12    10 S   HC   HB12    12     1.09813   110.45436    66.92463
   13    10 S   CT   _CG1    13     1.52994   112.61159  -170.64951
   14    13 S   HC   HG11    14     1.09582   110.63829   -65.72614
   15    13 S   HC   HG12    15     1.09670   109.78576    53.51299
   16    13 S   C    _CD1    16     1.51802   112.18381   173.96285
   17    16 S   O    _OE1    17     1.22741   123.26045     7.30482
   18    16 S   N    _N2_    18     1.38636   111.68502  -172.74891
   19    18 S   H    _HN2    19     1.01586   119.03517     1.45212
   20    18 S   CT1  _CA2    20     1.46232   123.43068   177.82949
   21    20 S   HC   _HA2    21     1.09746   109.27124     4.56270
   22    20 S   C    _C2_    22     1.53635   109.04803  -110.90817
   23    22 S   O    _O2_    23     1.23078   122.22440  -151.22524
   24    20 S   CT   _CB2    32     1.53525   111.51763   126.41544
   25    24 S   HC   HB21    33     1.09525   109.28657    55.80939
   26    24 S   HC   HB22    34     1.09202   109.67714   174.50966
   27    22 S   N    _N3_    24     1.38313   113.86643    36.38897
   28    27 S   H    _HN3    25     1.01562   119.56122    -3.59978
   29    24 S   S    _SG2    35     1.83288   110.77820   -64.38071
   30    27 S   CT   _CA3    26     1.45274   123.23750   177.06782
   31    30 S   HC   HA31    27     1.09549   107.53699   -64.13129
   32    30 S   HC   HA32    28     1.09557   107.96237    52.31022
   33    29 S   CT   _C18    36     1.92085   103.94575  -169.26468
   34    30 S   CO3  _C3_    29     1.52959   114.06928   174.30192
   35    34 S   O2Z  _O31    30     1.26377   116.07638    -0.07402
   36    34 S   O2Z  _O32    31     1.26427   114.41258   179.96574
   37    33 S   CM   _C4_    37     1.51940   106.15387   -31.74999
   38    37 S   HC   _H31    38     1.08818   117.09289    89.34177
   39    33 S   CT   _C16    87     1.57169   108.73630    91.67969
   40    39 S   HC   _H47    88     1.09790   107.66787  -178.29062
   41    37 S   CMA  _C5_    39     1.35130   125.89640   -88.87025
   42    41 S   OM   _O26    40     1.26233   129.18597   178.52448
   43    39 S   CT   _C24    89     1.53791   116.59216   -60.98648
   44    43 S   HC   _H52    90     1.09383   112.25081    68.42083
   45    43 S   HC   _H53    91     1.09254   112.26738   -54.58075
   46    43 S   HC   _H54    92     1.09659   109.90896  -172.98832
   47    41 S   CT   _C7_    41     1.52652   119.69815    -2.20904
   48    47 S   HC   _H32    42     1.09992   110.27928   124.14927
   49    47 S   HC   _H33    43     1.10110   108.54483  -120.05061
   50    47 S   CT   _C8_    44     1.53967   116.81624     1.08264
   51    50 S   HC   _H34    45     1.09623   109.11973    94.23202
   52    50 S   HC   _H35    46     1.09700   107.43274  -152.46901
   53    33 S   CT   _C20    47     1.60100   110.29383  -149.38356
   54    53 S   CT   _C13    48     1.57578   109.87186   -60.39274
   55    54 S   HC   _H44    49     1.09798   107.49577    59.21366
   56    53 S   CT   _C25    97     1.56647   111.87160   178.51932
   57    56 S   HC   _H55    98     1.09164   113.28040    68.77688
   58    56 S   HC   _H56    99     1.09354   112.98255   -51.68770
   59    56 S   HC   _H57   100     1.09546   111.02105  -170.86169
   60    54 S   CT   _C9_    50     1.55167   114.98046   174.42821
   61    60 S   HC   _H36    51     1.09393   110.71641    56.68315
   62    60 S   HC   _H37    52     1.09558   109.84546   -60.51930
   63    60 S   CT   _C10    53     1.54177   113.15011   179.61743
   64    63 S   HC   _H38    54     1.09715   108.19873    68.30442
   65    63 S   HC   _H39    55     1.09504   108.74686  -176.58029
   66    63 S   CT   _C21    56     1.53872   112.11397   -53.72226
   67    66 S   CT   _C15    57     1.55129   106.93233    56.14011
   68    67 S   HC   _H46    58     1.10085   108.51254    55.34018
   69    66 S   CT   _C26    93     1.55234   109.67566   -67.16981
   70    69 S   HC   _H58    94     1.09464   112.44794  -178.16837
   71    69 S   HC   _H59    95     1.09275   113.02417    60.77794
   72    69 S   HC   _H60    96     1.09588   110.64929   -58.41282
   73    67 S   CT   _C12    59     1.52703   103.81119   167.87727
   74    73 S   HC   _H42    60     1.09585   110.22903    83.84307
   75    73 S   HC   _H43    61     1.09476   111.87044  -155.77101
   76    54 S   CT   _C14    82     1.55874   111.48057   -57.64444
   77    76 S   HC   _H45    83     1.09373   109.83329   -65.40646
   78    73 S   CT   _C17    62     1.54201   104.05203   -34.14602
   79    78 S   HC   _H48    63     1.09430   109.26571   133.79817
   80    76 S   CT   _C11    84     1.53460   112.19943    52.87085
   81    80 S   HC   _H40    85     1.09718   109.62289    73.55213
   82    80 S   HC   _H41    86     1.09809   108.58427  -171.54813
   83    66 S   CT   _C19    64     1.55525   116.71905   166.90294
   84    83 S   OS   _O29    65     1.42841   111.66523   -42.68588
   85    83 S   CO4  _C6_    76     1.53471   114.91058    80.89721
   86    85 S   O    _O27    77     1.23248   122.03842   104.51835
   87    84 S   CO   _C22    66     1.42984   107.05731  -133.24941
   88    85 S   CT   _C23    78     1.50857   118.02856   -72.62302
   89    88 S   HC   _H49    79     1.09152   109.71774    83.65207
   90    88 S   HC   _H50    80     1.09200   110.90629   -38.21398
   91    88 S   HC   _H51    81     1.09397   109.16621  -156.83910
   92    78 S   OS   _O28    67     1.42507   110.78128  -106.94056
   93    87 S   CT   _C27    68     1.52374   108.86465   135.09622
   94    93 S   HC   _H61    69     1.09517   110.78594   -61.40980
   95    93 S   HC   _H62    70     1.09515   111.29647   179.81977
   96    93 S   HC   _H63    71     1.09503   111.31684    57.71871
   97    87 S   CT   _C28    72     1.52608   109.32878  -104.19050
   98    97 S   HC   _H64    73     1.09525   110.97849    62.62039
   99    97 S   HC   _H65    74     1.09503   111.25623   -56.66882
  100    97 S   HC   _H66    75     1.09524   111.22132  -178.65186
  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
  26   2   1   1  14   5  16   9   8   4   8   3   2   1   8   5
   4  11   4   3  14  20   9   5   2   1   1  12   6   5  15   5
   4  21  19   9   9   3   2   1  12   6   5   6   3  10   5   2
   1   1  11  13   7   4   9   3   2   1   1   8   7   3   2   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    53    54    80    39    40    43    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    50    51    52    53    54    55    60    76    80    81    82    39    40    43    44    45    46    56    57    58    59  
   35    36  
   36  
    0  
   38    41    42    47    48    49    50    53    54    80    39    40    43    56  
   41    42    47    53    39  
   40    43    44    45    46    56    41    50    53    54    67    76    77    80    81    82  
   43    44    45    46    53    76    80    81    82  
   42    47    48    49    50    51    52    53  
   47    48    49    50  
   44    45    46    53    76    80    81    82  
   45    46    80  
   46    80  
   80  
   48    49    50    51    52    53    54    56  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    60    76    56    57    58    59  
   52    53    54    56  
   53    54    56  
   54    55    60    61    62    63    67    76    77    80    56    57    58    59  
   55    60    61    62    63    64    65    66    67    68    73    76    77    80    81    82    56    57    58    59  
   60    61    62    63    67    76    77    80    56  
   57    58    59    60    76  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    83    76    77    80    69  
   62    63    64    65    66    76  
   63    64    65    66    76  
   64    65    66    67    68    73    78    83    84    85    76    69    70    71    72  
   65    66    67    83    69  
   66    67    83    69  
   67    68    73    74    75    78    79    83    84    87    92    85    86    88    76    77    80    69    70    71    72  
   68    73    74    75    78    79    83    84    92    85    76    77    80    81    82    69    70    71    72  
   73    74    75    78    83    76    77    80    69  
   70    71    72    73    76    78    83    84    85  
   71    72    83  
   72    83  
   83  
   74    75    78    79    83    84    87    92    85    76    77    80  
   75    78    79    83    92    76  
   78    79    83    92    76  
   77    80    81    82    78    83  
   80    81    82  
   79    83    84    87    92    93    97    85    86    88  
   83    84    87    92    85  
   81    82  
   82  
    0  
   84    87    92    93    97    85    86    88    89    90    91  
   87    92    93    94    95    96    97    98    99   100    85    86    88  
   86    88    89    90    91    87    92  
   88    89    90    91  
   92    93    94    95    96    97    98    99   100  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660  -0.180000   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   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
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    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    76   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    83   268.000  1.529
   66    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    92   320.000  1.410
   83    84   320.000  1.410
   83    85   317.000  1.522
   84    87   320.000  1.380
   87    92   320.000  1.380
   87    93   250.000  1.527
   87    97   250.000  1.527
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   85    86   570.000  1.229
   85    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    39   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    39    80    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   37    41    42    65.00000  137.10300
   37    41    47    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    70.00000  112.02700
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    60    58.35000  112.70000
   53    54    76    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    58.35000  112.70000
   54    76    67    58.35000  112.70000
   54    76    77    37.50000  110.70000
   54    76    80    58.35000  112.70000
   60    54    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    58.35000  112.70000
   63    66    83    58.35000  112.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    73    58.35000  112.70000
   66    67    76    58.35000  112.70000
   66    83    78    58.35000  112.70000
   66    83    84    50.00000  109.50000
   66    83    85    63.00000  111.10000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    78    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    80    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    83    58.35000  112.70000
   73    78    92    50.00000  109.50000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    83    84    50.00000  109.50000
   78    83    85    63.00000  111.10000
   78    92    87    60.00000  109.50000
   83    66    67    58.35000  112.70000
   83    78    79    37.50000  110.70000
   83    84    87    60.00000  109.50000
   83    85    86    80.00000  120.40000
   83    85    88    70.00000  116.00000
   84    87    92    92.60000  111.55000
   84    87    93    90.00000  108.56700
   84    87    97    90.00000  108.56700
   87    93    94    45.00000  108.72000
   87    93    95    45.00000  108.72000
   87    93    96    45.00000  108.72000
   87    97    98    45.00000  108.72000
   87    97    99    45.00000  108.72000
   87    97   100    45.00000  108.72000
   92    78    79    35.00000  109.50000
   92    78    83    50.00000  109.50000
   93    87    92    90.00000  108.56700
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    87    92    90.00000  108.56700
   97    87    93    65.00000  112.71400
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   85    83    84    90.00000  108.74100
   85    88    89    35.00000  109.50000
   85    88    90    35.00000  109.50000
   85    88    91    35.00000  109.50000
   88    85    86    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   76    54    55    37.50000  110.70000
   76    54    60    58.35000  112.70000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    39    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    39    40    37.50000  110.70000
   80    39    43    58.35000  112.70000
   82    80    81    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    80    81    37.50000  110.70000
   39    80    82    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   69    66    67    58.35000  112.70000
   69    66    83    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
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   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    78   0.56750  1.0 1.0
   76    67    73    78  -0.07550 -1.0 2.0
   76    67    73    78   0.20000  1.0 3.0
   76    80   -39    33   0.56750  1.0 1.0
   76    80   -39    33  -0.07550 -1.0 2.0
   76    80   -39    33   0.20000  1.0 3.0
   76    80    39    40   0.15000  1.0 3.0
   76    80    39    43   0.56750  1.0 1.0
   76    80    39    43  -0.07550 -1.0 2.0
   76    80    39    43   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    39   0.15000  1.0 3.0
   80    39    43    44   0.15000  1.0 3.0
   80    39    43    45   0.15000  1.0 3.0
   80    39    43    46   0.15000  1.0 3.0
   81    80    39    33   0.15000  1.0 3.0
   81    80    39    40   0.15000  1.0 3.0
   81    80    39    43   0.15000  1.0 3.0
   82    80    39    33   0.15000  1.0 3.0
   82    80    39    40   0.15000  1.0 3.0
   82    80    39    43   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    53    50   0.56750  1.0 1.0
   39    33    53    50  -0.07550 -1.0 2.0
   39    33    53    50   0.20000  1.0 3.0
   39    33   -53    54   0.56750  1.0 1.0
   39    33   -53    54  -0.07550 -1.0 2.0
   39    33   -53    54   0.20000  1.0 3.0
   39    33    53    56   0.56750  1.0 1.0
   39    33    53    56  -0.07550 -1.0 2.0
   39    33    53    56   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    73   0.56750  1.0 1.0
   69    66    67    73  -0.07550 -1.0 2.0
   69    66    67    73   0.20000  1.0 3.0
   69    66    67    76   0.56750  1.0 1.0
   69    66    67    76  -0.07550 -1.0 2.0
   69    66    67    76   0.20000  1.0 3.0
   69    66    83    78   0.56750  1.0 1.0
   69    66    83    78  -0.07550 -1.0 2.0
   69    66    83    78   0.20000  1.0 3.0
   69    66    83    84   0.62750  1.0 1.0
   69    66    83    84  -0.30950 -1.0 2.0
   69    66    83    84   0.27300  1.0 3.0
   69    66    83    85  -0.95700  1.0 1.0
   69    66    83    85  -0.18200 -1.0 2.0
   69    66    83    85   0.29450  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    76   0.56750  1.0 1.0
   56    53    54    76  -0.07550 -1.0 2.0
   56    53    54    76   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    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   83    88    85    86  10.50000 -1.0 2.0
END
