* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    199    329     599
    1     0 S   NP   _N1_     1    28.64835    95.66524   -22.26351
    2     1 S   H    _HN1     2     1.02778    95.77641   -75.32753
    3     1 S   H    _H1_     3     1.02960    79.13024    32.27500
    4     1 S   H    _H2_     4     1.02836    36.36156   172.11327
    5     1 S   CT   _CA1     5     1.50118   144.31129   142.19787
    6     5 S   HC   _HA1     6     1.09575   105.23052    77.57427
    7     5 S   CO3  _C1_     7     1.53781   112.40421   -42.63289
    8     7 S   O2Z  _O11     8     1.26357   115.00472   -43.73759
    9     7 S   O2Z  _O12     9     1.26240   114.91985   135.46103
   10     5 S   CT   _CB1    10     1.53096   107.43038  -164.52276
   11    10 S   HC   HB11    11     1.09825   109.31363   -50.94164
   12    10 S   HC   HB12    12     1.09819   110.42091    65.59970
   13    10 S   CT   _CG1    13     1.53011   112.68505  -172.05248
   14    13 S   HC   HG11    14     1.09596   110.44797   -64.13973
   15    13 S   HC   HG12    15     1.09654   109.97610    55.08432
   16    13 S   C    _CD1    16     1.51815   112.32599   175.42928
   17    16 S   O    _OE1    17     1.22729   123.27185    -1.56848
   18    16 S   N    _N2_    18     1.38649   111.64084   178.62200
   19    18 S   H    _HN2    19     1.01586   119.05114     0.98952
   20    18 S   CT1  _CA2    20     1.46153   123.31825   179.65395
   21    20 S   HC   _HA2    21     1.09745   109.34350    -7.69549
   22    20 S   C    _C2_    22     1.53460   108.52321  -123.23491
   23    22 S   O    _O2_    23     1.23025   122.17255  -146.49204
   24    20 S   CT   _CB2    32     1.53379   111.65428   114.25812
   25    24 S   HC   HB21    33     1.09514   110.11729    56.44806
   26    24 S   HC   HB22    34     1.09531   109.95689   175.42980
   27    22 S   N    _N3_    24     1.38485   113.45555    40.95188
   28    27 S   H    _HN3    25     1.01513   118.93829    -0.77556
   29    24 S   S    _SG2    35     1.82799   111.71686   -64.98785
   30    27 S   CT   _CA3    26     1.45457   123.52766   174.92905
   31    30 S   HC   HA31    27     1.09517   109.34066    22.52672
   32    30 S   HC   HA32    28     1.09498   107.10196   139.56343
   33    29 S   CT   _C22    36     1.84839    99.73065  -178.24030
   34    33 S   HC   _H3_    37     1.09319   106.22319    26.71218
   35    30 S   CO3  _C3_    29     1.52925   113.02082  -101.00725
   36    35 S   O2Z  _O31    30     1.26412   115.37588   -44.83509
   37    35 S   O2Z  _O32    31     1.26351   114.99922   136.06322
   38    33 S   CT   _C14    38     1.53188   105.87176   -86.25679
   39    38 S   HC   _H43    39     1.09675   110.88180    56.62141
   40    38 S   HC   _H44    40     1.09599   112.72648   -64.46343
   41    38 S   CO4  _C10    41     1.50268   109.93940   174.65020
   42    41 S   O    _O28    42     1.22861   122.25898  -141.79155
   43    41 S   CM   _C8_    43     1.47460   117.57434    42.81522
   44    43 S   HC   _H40    44     1.08489   116.26688   163.97822
   45    43 S   CM   _C9_    45     1.34320   121.32932   -11.54814
   46    45 S   CT   _C13    46     1.51287   118.11933   171.75588
   47    46 S   HC   _H41    47     1.09681   108.87766  -108.09328
   48    46 S   HC   _H42    48     1.09749   111.26621     7.78682
   49    46 S   CT   _C15    49     1.51989   113.30736   130.04175
   50    49 S   HC   _H45    50     1.09677   107.97607   171.96911
   51    49 S   HC   _H46    51     1.09650   109.78537   -73.00163
   52    49 S   CT   _C18    52     1.53777   112.03971    50.82825
   53    52 S   HC   _H51    53     1.09457   106.28393    63.89979
   54    52 S   CT   _C19    54     1.54203   110.76793  -179.53775
   55    54 S   HC   _H52    55     1.09919   106.58092    64.60466
   56    52 S   CT   _C26    68     1.58220   112.06859   -54.43135
   57    56 S   Cl   CL35    69     1.86145   107.23457   -60.83433
   58    54 S   CT   _C16    56     1.52472   118.49531   -52.94774
   59    58 S   HC   _H47    57     1.09645   111.09413   -42.24521
   60    58 S   HC   _H48    58     1.09546   111.27402    77.24400
   61    33 S   CT   _C23    70     1.59631   116.19395   147.80495
   62    58 S   CT   _C20    59     1.55159   104.75853  -160.98371
   63    62 S   HC   _H53    60     1.09766   106.41068   122.07811
   64    61 S   CT   _C28    71     1.55688   109.75408    48.51372
   65    64 S   HC   _H59    72     1.09085   113.69274   -55.53785
   66    64 S   HC   _H60    73     1.09350   112.83123  -176.64649
   67    64 S   HC   _H61    74     1.09715   111.05201    64.11372
   68    62 S   CT   _C24    61     1.58005   106.51419     5.00793
   69    62 S   CT   _C27    98     1.52477   110.89917  -122.86636
   70    69 S   HC   _H56    99     1.09427   112.00147    60.81695
   71    69 S   HC   _H57   100     1.09589   110.21288   -58.46722
   72    69 S   HC   _H58   101     1.09346   111.01933  -176.97062
   73    54 S   CT   _C25    62     1.54700   114.02002  -175.43078
   74    68 S   CO4  _C12    81     1.55094   112.74981   144.21656
   75    74 S   O    _O30    82     1.23309   121.20188    -2.20549
   76    68 S   OS   _O35    87     1.45013   110.67944   -88.97565
   77    73 S   CT   _C17    63     1.54679   106.74016   -59.70375
   78    77 S   HC   _H49    64     1.09566   110.29803   -67.32979
   79    77 S   HC   _H50    65     1.09562   109.44511   176.24641
   80    73 S   CT   _C29    77     1.55547   113.10042    61.76289
   81    80 S   HC   _H62    78     1.09389   112.93296    69.31320
   82    80 S   HC   _H63    79     1.09133   113.23632   -50.85845
   83    80 S   HC   _H64    80     1.09538   110.77211  -170.95128
   84    74 S   CT   _C30    83     1.51558   117.55503  -179.87180
   85    84 S   Cl   CL36    84     1.77236   109.90512  -147.26905
   86    84 S   HC   _H65    85     1.09195   109.67658    93.35173
   87    84 S   HC   _H66    86     1.09101   111.29336   -28.46772
   88    76 S   CO4  _C11    88     1.36238   123.21505   -85.22302
   89    88 S   O    _O29    89     1.22313   125.75131    -0.89853
   90    77 S   CT   _C21    66     1.55063   113.82615    54.57352
   91    90 S   HC   _H54    67     1.09508   106.29995  -172.49452
   92    88 S   C5A  _C7_    90     1.43713   109.07493   179.36944
   93    90 S   OH   _O34    75     1.42213   108.11227    73.59493
   94    93 S   HO   _H67    76     0.97262   107.85566    63.04033
   95    92 S   C5BC _C5_    91     1.38272   132.91732    -0.64041
   96    95 S   HA   _H38    92     1.08108   126.28933    -0.04423
   97    95 S   C5BC _C4_    93     1.41523   106.69251   180.00000
   98    97 S   HA   _H37    94     1.08048   127.60660   180.00000
   99    97 S   C5A  _C6_    95     1.37383   106.08741     0.00000
  100    99 S   HA   _H39    96     1.08035   133.80179   180.00000
  101    92 S   OA   _O33    97     1.36743   117.64575   179.37099
  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  10   5   4   3
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4
   2   1   1  23   6   2   1   1  15   9   5   8  10   5   4   4
   2   1   1   3   2   1   1   7   3   3   2   7   1   1   6   4
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    90    56    57    61    64    65    66    67  
   38    39    40    41    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    64  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    64  
   45    46    61  
   46    47    48    49    50    51    52    90    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    73    90    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    73    77    90    91    56    57    61    64    93    80  
   54    55    58    73    90    56    57    61  
   55    58    59    60    62    63    68    73    77    78    79    90    56    57    61    80    81    82    83    74    76    69  
   58    59    60    62    68    73    77    56    80  
   57    61    64    65    66    67    93    94    58    73    77    78    79    90    91  
   61    64    93    77    90    91  
   59    60    62    63    68    73    77    80    74    76    69    70    71    72  
   60    62    63    68    73    69  
   62    63    68    73    69  
   64    65    66    67    93    77    90    91  
   63    68    73    77    80    74    75    84    76    88    69    70    71    72  
   68    73    74    76    69    70    71    72  
   65    66    67    90  
   66    67  
   67  
    0  
   73    77    78    79    90    80    81    82    83    74    75    84    85    86    87    76    88    89    92    69    70    71    72  
   70    71    72    73    74    76  
   71    72  
   72  
    0  
   77    78    79    90    91    93    80    81    82    83    74    75    84    76    88  
   75    84    85    86    87    76    88    77    80  
   84    85    86    87    76  
   88    89    92    95   101    77    80    84  
   78    79    90    91    93    94    80    81    82    83  
   79    90    91    93    80  
   90    91    93    80  
   81    82    83    90  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
   89    92    95    96    97    99   101  
   92    95   101  
   91    93    94  
   93    94  
   95    96    97    98    99   100   101  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   86   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  101   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    73   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   268.000  1.529
   68    73   268.000  1.529
   68    74   317.000  1.522
   68    76   320.000  1.410
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    90   268.000  1.529
   90    91   340.000  1.090
   90    56   268.000  1.529
   90    93   320.000  1.410
   56    57   245.000  1.781
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   93    94   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    75   570.000  1.229
   74    84   317.000  1.522
   84    85   245.000  1.781
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    88   214.000  1.327
   88    89   570.000  1.229
   88    92   335.000  1.450
   92    95   546.000  1.367
   92   101   340.000  1.360
   95    96   367.000  1.080
   95    97   469.000  1.424
   97    98   367.000  1.080
   97    99   546.000  1.367
   99   100   367.000  1.080
   99   101   340.000  1.360
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    73    58.35000  112.70000
   52    56    90    58.35000  112.70000
   52    56    57    69.00000  109.80000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    73    68    58.35000  112.70000
   54    73    77    58.35000  112.70000
   54    73    80    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    68    74    63.00000  111.10000
   62    68    76    50.00000  109.50000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   68    62    63    37.50000  110.70000
   68    73    77    58.35000  112.70000
   68    73    80    58.35000  112.70000
   68    74    75    80.00000  120.40000
   68    74    84    70.00000  116.00000
   68    76    88    83.00000  116.90000
   73    54    55    37.50000  110.70000
   73    54    58    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    90    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    90    91    37.50000  110.70000
   77    90    56    58.35000  112.70000
   77    90    93    50.00000  109.50000
   79    77    78    33.00000  107.80000
   90    77    78    37.50000  110.70000
   90    77    79    37.50000  110.70000
   90    56    57    69.00000  109.80000
   90    56    61    58.35000  112.70000
   90    93    94    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    90    91    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    69.00000  109.80000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    56    50.00000  109.50000
   80    73    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    68    73    63.00000  111.10000
   74    84    85    70.00000  110.66000
   74    84    86    35.00000  109.50000
   74    84    87    35.00000  109.50000
   84    74    75    80.00000  120.40000
   86    84    85    51.00000  107.60000
   87    84    85    51.00000  107.60000
   87    84    86    33.00000  107.80000
   76    68    73    50.00000  109.50000
   76    68    74    90.00000  108.74100
   76    88    89    83.00000  123.40000
   76    88    92    81.00000  111.40000
   88    92    95    55.00000  130.80000
   88    92   101    80.00000  119.06000
   92    88    89    80.00000  122.40000
   92    95    96    35.00000  125.70000
   92    95    97    70.00000  107.30000
   92   101    99    70.00000  106.50000
   95    97    98    35.00000  127.50000
   95    97    99    70.00000  107.30000
   97    95    96    35.00000  127.50000
   97    99   100    35.00000  132.10000
   97    99   101    70.00000  110.60000
   99    97    98    35.00000  125.70000
  101    92    95    70.00000  110.60000
  101    99   100    35.00000  113.40000
   69    62    63    37.50000  110.70000
   69    62    68    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
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
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   74    68    73    80  -0.18200 -1.0 2.0
   74    68    73    80   0.29450  1.0 3.0
   74    68    76    88  -1.80650  1.0 1.0
   74    68    76    88   0.63900 -1.0 2.0
   74    68    76    88   0.03650  1.0 3.0
   75    74    84    85   0.30150 -1.0 2.0
   75    74    84    86   0.00000  1.0 1.0
   75    74    84    87   0.00000  1.0 1.0
   76    68    73    54   0.62750  1.0 1.0
   76    68    73    54  -0.30950 -1.0 2.0
   76    68    73    54   0.27300  1.0 3.0
   76    68    73    77   0.62750  1.0 1.0
   76    68    73    77  -0.30950 -1.0 2.0
   76    68    73    77   0.27300  1.0 3.0
   76    68    73    80   0.62750  1.0 1.0
   76    68    73    80  -0.30950 -1.0 2.0
   76    68    73    80   0.27300  1.0 3.0
   76    68    74    75   0.30150 -1.0 2.0
   76    68    74    84   0.55300  1.0 1.0
   76    68    74    84   1.25850 -1.0 2.0
   76    68    74    84  -0.23600  1.0 3.0
   76    88    92    95   0.98750 -1.0 2.0
   76    88    92   101   0.56600 -1.0 2.0
   88    92    95    96   3.62500 -1.0 2.0
   88    92    95    97   3.62500 -1.0 2.0
   88    92   101    99   3.62500 -1.0 2.0
   89    88    92    95   1.05000 -1.0 2.0
   89    88    92   101   1.05000 -1.0 2.0
   92    95    97    98   3.62500 -1.0 2.0
   92    95   -97    99   3.62500 -1.0 2.0
   95    92  -101    99   3.62500 -1.0 2.0
   95    97    99   100   3.62500 -1.0 2.0
   95    97   -99   101   3.62500 -1.0 2.0
   96    95    97    98   3.62500 -1.0 2.0
   96    95    97    99   3.62500 -1.0 2.0
   97    99  -101    92   3.62500 -1.0 2.0
   98    97    99   100   3.62500 -1.0 2.0
   98    97    99   101   3.62500 -1.0 2.0
  100    99   101    92   3.62500 -1.0 2.0
  101    92    95    96   3.62500 -1.0 2.0
  101    92   -95    97   3.62500 -1.0 2.0
   69    62    68    73   0.56750  1.0 1.0
   69    62    68    73  -0.07550 -1.0 2.0
   69    62    68    73   0.20000  1.0 3.0
   69    62    68    74  -0.95700  1.0 1.0
   69    62    68    74  -0.18200 -1.0 2.0
   69    62    68    74   0.29450  1.0 3.0
   69    62    68    76   0.62750  1.0 1.0
   69    62    68    76  -0.30950 -1.0 2.0
   69    62    68    76   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   68    84    74    75  10.50000 -1.0 2.0
   76    92    88    89  10.50000 -1.0 2.0
   95   101    92    88   4.00000 -1.0 2.0
   97    96    95    92   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
  101   100    99    97   1.10000 -1.0 2.0
END
