* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    200    331     605
    1     0 S   NP   _N1_     1    28.58353    99.62692   -21.64298
    2     1 S   H    _HN1     2     1.02772    95.25439   -94.39766
    3     1 S   H    _H1_     3     1.02959    61.39780    13.68493
    4     1 S   H    _H2_     4     1.02833    54.16461   157.25193
    5     1 S   CT   _CA1     5     1.50113   152.22127    93.00129
    6     5 S   HC   _HA1     6     1.09574   105.21904   110.32177
    7     5 S   CO3  _C1_     7     1.53724   112.53845    -9.88646
    8     7 S   O2Z  _O11     8     1.26356   114.93416   -40.35932
    9     7 S   O2Z  _O12     9     1.26242   114.91567   138.82222
   10     5 S   CT   _CB1    10     1.53072   107.45490  -131.68565
   11    10 S   HC   HB11    11     1.09824   109.25563   -50.81247
   12    10 S   HC   HB12    12     1.09818   110.44829    65.74664
   13    10 S   CT   _CG1    13     1.52989   112.66468  -171.92076
   14    13 S   HC   HG11    14     1.09611   110.51224   -66.19041
   15    13 S   HC   HG12    15     1.09664   109.90244    53.03931
   16    13 S   C    _CD1    16     1.51789   112.36678   173.40177
   17    16 S   O    _OE1    17     1.22733   123.33621     1.83941
   18    16 S   N    _N2_    18     1.38505   111.58746  -178.26856
   19    18 S   H    _HN2    19     1.01564   118.98485     4.42806
   20    18 S   CT1  _CA2    20     1.45874   123.02555   177.57586
   21    20 S   HC   _HA2    21     1.09712   109.08742    21.91090
   22    20 S   C    _C2_    22     1.52856   106.72081   -95.29860
   23    22 S   O    _O2_    23     1.23002   122.92304   -29.62264
   24    20 S   CT   _CB2    32     1.53171   111.85866   145.18529
   25    24 S   HC   HB21    33     1.09346   109.58671    54.37219
   26    24 S   HC   HB22    34     1.09506   110.06084   172.91897
   27    22 S   N    _N3_    24     1.38471   112.68729   153.02471
   28    27 S   H    _HN3    25     1.01661   120.39641    -1.31164
   29    24 S   S    _SG2    35     1.83000   110.40169   -67.57939
   30    27 S   CT   _CA3    26     1.45361   122.38356   178.74742
   31    30 S   HC   HA31    27     1.09569   107.53961   -61.69763
   32    30 S   HC   HA32    28     1.09571   107.84978    54.59404
   33    29 S   CT   _C14    36     1.91598   102.17891   160.90044
   34    30 S   CO3  _C3_    29     1.52877   114.44393   176.55190
   35    34 S   O2Z  _O31    30     1.26317   116.11049    -1.17370
   36    34 S   O2Z  _O32    31     1.26456   114.38521   178.89713
   37    33 S   CM   _C15    37     1.52331   105.41457    50.10710
   38    37 S   HC   _H22    38     1.08789   118.19524   -95.24787
   39    33 S   CT   _C13    53     1.54014   108.15710   -71.08229
   40    39 S   HC   _H20    54     1.09718   110.14160   175.91007
   41    39 S   HC   _H21    55     1.09596   111.70303    60.31092
   42    37 S   CMA  _C16    39     1.35197   122.15837    83.87459
   43    42 S   OM   _O38    40     1.25852   131.37288  -178.83232
   44    42 S   CM   _C17    41     1.46655   116.92891    -0.54104
   45    44 S   HC   _H23    42     1.08830   119.29782  -159.43263
   46    44 S   CM   _C18    43     1.34817   121.99638    20.40676
   47    46 S   HC   _H24    44     1.08157   117.81820   179.25401
   48    33 S   CT   _C19    45     1.59901   110.88750   168.87767
   49    48 S   CT   _C20    46     1.59205   109.54974    60.29771
   50    49 S   HC   _H7_    47     1.09643   106.67951   -64.56446
   51    48 S   CT   _C28    97     1.56395   111.90857  -179.05643
   52    51 S   HC   _H34    98     1.09213   113.11684   -68.39291
   53    51 S   HC   _H35    99     1.09648   111.20960   170.97507
   54    51 S   HC   _H36   100     1.09547   112.73005    51.95487
   55    49 S   CT   _C11    48     1.56543   110.99305    54.20136
   56    55 S   HC   _H6_    49     1.09727   106.93872    66.75559
   57    49 S   CT   _C21    68     1.55530   115.98564   178.02702
   58    57 S   HC   _H8_    69     1.09412   110.41680   -59.53706
   59    55 S   CT   _C12    50     1.53775   114.25794   -49.42195
   60    59 S   HC   _H18    51     1.09500   110.56754   -75.17911
   61    59 S   HC   _H19    52     1.09770   109.11596   169.24316
   62    55 S   CT   _C10    56     1.54646   113.63026  -177.74172
   63    62 S   HC   _H5_    57     1.10056   107.10976  -171.59108
   64    57 S   OH   _O37    70     1.42333   111.12524    59.33274
   65    64 S   HO   _H33    71     0.97236   107.81117  -176.53468
   66    62 S   CT   _C9_    58     1.54043   115.49759    69.56365
   67    66 S   HC   _H16    59     1.09470   111.05000   -34.51062
   68    66 S   HC   _H17    60     1.09554   111.24049    85.03747
   69    66 S   CT   _C8_    61     1.53453   105.98639  -152.64548
   70    69 S   HC   _H4_    62     1.09455   109.68280   127.04795
   71    69 S   CT   _C24    63     1.52753   106.84574     2.18122
   72    62 S   CT   _C23    64     1.55040   114.22832   -51.45611
   73    71 S   OS   _O34    76     1.42730   103.50684   -93.45369
   74    71 S   CO4  _C25    90     1.53841   112.78511   148.09349
   75    74 S   O    _O35    91     1.23270   121.36749   -36.43147
   76    72 S   CT   _C22    65     1.54374   110.07374    47.53735
   77    76 S   HC   _H25    66     1.09853   109.90651  -173.79357
   78    76 S   HC   _H26    67     1.09838   110.85400    71.03853
   79    72 S   CT   _C27    72     1.54044   110.72042   -74.06307
   80    79 S   HC   _H30    73     1.09506   111.92676   -59.16417
   81    79 S   HC   _H31    74     1.09418   111.08366  -179.75134
   82    79 S   HC   _H32    75     1.09405   112.12568    60.64514
   83    73 S   CO   _C7_    77     1.42801   106.40254   -26.02043
   84    83 S   HC   _H3_    78     1.09593   108.19083   -99.32875
   85    74 S   CT   _C26    92     1.52082   117.36372   144.53510
   86    85 S   HC   _H27    93     1.09104   110.03189    52.74392
   87    85 S   HC   _H28    94     1.09321   109.02864   -68.36352
   88    69 S   OS   _O33    79     1.42369   110.85553  -113.27334
   89    83 S   CT   _C6_    80     1.52540   109.08981   140.54088
   90    89 S   HC   _H14    81     1.09750   109.27423   -64.48139
   91    89 S   HC   _H15    82     1.09694   109.47478    51.64391
   92    85 S   OH   _O36    95     1.41402   110.42657   172.47082
   93    92 S   HO   _H29    96     0.97224   107.26625   175.74048
   94    89 S   CT   _C5_    83     1.52798   112.20143   174.18025
   95    94 S   HC   _H12    84     1.09619   109.74539   -59.56171
   96    94 S   HC   _H13    85     1.09470   110.19309    58.16669
   97    94 S   CT   _C4_    86     1.52028   111.47392   179.41617
   98    97 S   HC   _H9_    87     1.09466   111.01321   -60.10357
   99    97 S   HC   _H10    88     1.09448   110.25268  -179.84174
  100    97 S   HC   _H11    89     1.09466   110.99536    60.40922
  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
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  12   6   5  13   6  19  13  12  10   4   6   2   1   3   2
   1   1   9   5   4   3   2   4   9   5   4   1   1   6   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    76    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    72    76    77    78    57    58    64    65    51    52    53    54  
   55    56    59    62    76    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    72    76    57    58    64    79  
   59    60    61    62    63    66    72    57  
   58    64    65    79    59    62    71    72    76    77    78  
   64    65    72    76    77    78  
   60    61    62    63    66    72  
   61    62  
   62  
   63    66    67    68    69    70    71    72    76    77    78    79    80    81    82    73    88    74  
   66    67    68    69    71    72    76    79  
   65    72    76    77    78  
   76  
   67    68    69    70    71    72    76    79    73    83    88    74  
   68    69    70    71    72    88  
   69    70    71    72    88  
   70    71    72    76    79    73    83    84    88    89    74    75    85  
   71    72    73    83    88    74  
   72    76    77    78    79    80    81    82    73    83    84    88    89    74    75    85    86    87    92  
   76    77    78    79    80    81    82    73    83    88    74    75    85  
   83    84    88    89    90    91    94    74    75    85    76    79  
   75    85    86    87    92    93    76    79    83    88  
   85    86    87    92  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    88    89    90    91    94    95    96    97  
   88    89    90    91    94  
   86    87    92    93  
   87    92    93  
   92    93  
   89    90    91    94  
   90    91    94    95    96    97    98    99   100  
   91    94    95    96    97  
   94    95    96    97  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98    99   100  
   97    98    99   100  
   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  -0.120000   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    72   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    88   320.000  1.410
   71    72   268.000  1.529
   71    73   320.000  1.410
   71    74   317.000  1.522
   72    76   268.000  1.529
   72    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    83   320.000  1.380
   83    84   340.000  1.090
   83    88   320.000  1.380
   83    89   250.000  1.527
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   74    75   570.000  1.229
   74    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    92   320.000  1.410
   92    93   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    76    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    72    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    37.50000  110.70000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    72    71    58.35000  112.70000
   62    72    76    58.35000  112.70000
   62    72    79    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    88    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    58.35000  112.70000
   69    71    73    50.00000  109.50000
   69    71    74    63.00000  111.10000
   69    88    83    60.00000  109.50000
   71    69    70    37.50000  110.70000
   71    72    76    58.35000  112.70000
   71    72    79    58.35000  112.70000
   71    73    83    60.00000  109.50000
   71    74    75    80.00000  120.40000
   71    74    85    70.00000  116.00000
   72    62    63    37.50000  110.70000
   72    62    66    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    57    58.35000  112.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   76    57    58    37.50000  110.70000
   76    57    64    50.00000  109.50000
   78    76    77    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    55    58.35000  112.70000
   57    76    77    37.50000  110.70000
   57    76    78    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   79    72    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    71    72    50.00000  109.50000
   73    83    84    35.00000  109.50000
   73    83    88    92.60000  111.55000
   73    83    89    90.00000  108.56700
   83    89    90    45.00000  108.72000
   83    89    91    45.00000  108.72000
   83    89    94    75.00000  109.43000
   88    69    70    35.00000  109.50000
   88    69    71    50.00000  109.50000
   88    83    84    35.00000  109.50000
   89    83    84    45.00000  112.01100
   89    83    88    90.00000  108.56700
   89    94    95    37.50000  110.70000
   89    94    96    37.50000  110.70000
   89    94    97    58.35000  112.70000
   91    89    90    33.00000  107.80000
   94    89    90    37.50000  110.70000
   94    89    91    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   74    71    72    63.00000  111.10000
   74    71    73    90.00000  108.74100
   74    85    86    35.00000  109.50000
   74    85    87    35.00000  109.50000
   74    85    92    90.00000  109.61100
   85    74    75    80.00000  120.40000
   85    92    93    55.00000  108.50000
   87    85    86    33.00000  107.80000
   92    85    86    35.00000  109.50000
   92    85    87    35.00000  109.50000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
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   88    69   -71    73   1.11900  1.0 1.0
   88    69   -71    73  -1.16350 -1.0 2.0
   88    69   -71    73  -0.34150  1.0 3.0
   88    69    71    74  -0.09450  1.0 1.0
   88    69    71    74  -1.12950 -1.0 2.0
   88    69    71    74   0.54000  1.0 3.0
   88    83    89    90   0.23400  1.0 3.0
   88    83    89    91   0.23400  1.0 3.0
   88    83    89    94   0.62750  1.0 1.0
   88    83    89    94  -0.30950 -1.0 2.0
   88    83    89    94   0.27300  1.0 3.0
   89    83    88    69   0.06250  1.0 1.0
   89    83    88    69  -0.01100 -1.0 2.0
   89    83    88    69   0.28050  1.0 3.0
   89    94    97    98   0.15000  1.0 3.0
   89    94    97    99   0.15000  1.0 3.0
   89    94    97   100   0.15000  1.0 3.0
   90    89    94    95   0.15000  1.0 3.0
   90    89    94    96   0.15000  1.0 3.0
   90    89    94    97   0.15000  1.0 3.0
   91    89    94    95   0.15000  1.0 3.0
   91    89    94    96   0.15000  1.0 3.0
   91    89    94    97   0.15000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   74    71    72    62  -0.95700  1.0 1.0
   74    71    72    62  -0.18200 -1.0 2.0
   74    71    72    62   0.29450  1.0 3.0
   74    71    72    76  -0.95700  1.0 1.0
   74    71    72    76  -0.18200 -1.0 2.0
   74    71    72    76   0.29450  1.0 3.0
   74    71    72    79  -0.95700  1.0 1.0
   74    71    72    79  -0.18200 -1.0 2.0
   74    71    72    79   0.29450  1.0 3.0
   74    71    73    83  -1.11000  1.0 1.0
   74    71    73    83   0.50250 -1.0 2.0
   74    71    73    83   0.47450  1.0 3.0
   74    85    92    93   0.91850  1.0 1.0
   74    85    92    93   0.57950  1.0 3.0
   75    74    85    86   0.00000  1.0 1.0
   75    74    85    87   0.00000  1.0 1.0
   75    74    85    92   0.30150 -1.0 2.0
   86    85    92    93   0.19450  1.0 3.0
   87    85    92    93   0.19450  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    85    74    75  10.50000 -1.0 2.0
END
