* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    236     454
    1     0 S   NP   _N1_     1    28.67441    94.35214   -23.30879
    2     1 S   H    _HN1     2     1.02950    84.46374    19.81016
    3     1 S   H    _H1_     3     1.02829    26.82884   167.40933
    4     1 S   H    _H2_     4     1.02779   102.62537   -87.81821
    5     1 S   CT   _CA1     5     1.50125   134.10004   132.98151
    6     5 S   HC   _HA1     6     1.09566   105.21725    75.02360
    7     5 S   CO3  _C1_     7     1.53798   112.42108   -45.27453
    8     7 S   O2Z  _O11     8     1.26372   114.97665   -41.59407
    9     7 S   O2Z  _O12     9     1.26224   114.96499   137.52531
   10     5 S   CT   _CB1    10     1.53071   107.43233  -166.89144
   11    10 S   HC   HB11    11     1.09829   109.48074   -48.77017
   12    10 S   HC   HB12    12     1.09809   110.37990    67.84731
   13    10 S   CT   _CG1    13     1.52991   112.62324  -169.72959
   14    13 S   HC   HG11    14     1.09591   110.57623   -63.63998
   15    13 S   HC   HG12    15     1.09655   109.89692    55.64407
   16    13 S   C    _CD1    16     1.51781   112.21453   176.17244
   17    16 S   O    _OE1    17     1.22737   123.26337     4.01849
   18    16 S   N    _N2_    18     1.38644   111.66770  -176.47891
   19    18 S   H    _HN2    19     1.01593   119.02730     2.26857
   20    18 S   CT1  _CA2    20     1.46268   123.32251  -179.07677
   21    20 S   HC   _HA2    21     1.09737   109.32639    -5.59549
   22    20 S   C    _C2_    22     1.53369   108.73291  -121.24568
   23    22 S   O    _O2_    23     1.23039   122.30328  -148.99474
   24    20 S   CT   _CB2    32     1.53407   111.33465   116.20801
   25    24 S   HC   HB21    33     1.09408   109.63241    58.71173
   26    24 S   HC   HB22    34     1.09508   110.37572   177.32468
   27    22 S   N    _N3_    24     1.38342   113.55330    38.53634
   28    27 S   H    _HN3    25     1.01632   119.49315    -3.69661
   29    24 S   S    _SG2    35     1.82839   110.95438   -63.18972
   30    27 S   CT   _CA3    26     1.45285   123.14999   176.94098
   31    30 S   HC   HA31    27     1.09552   107.53276   -63.69035
   32    30 S   HC   HA32    28     1.09558   107.94093    52.71829
   33    29 S   CT   _C19    36     1.88281   100.67604   163.76600
   34    30 S   CO3  _C3_    29     1.52939   114.12953   174.69197
   35    34 S   O2Z  _O31    30     1.26370   116.06187    -0.86908
   36    34 S   O2Z  _O32    31     1.26430   114.41161   179.19376
   37    33 S   CT   _C15    37     1.53161   107.17322   -77.90675
   38    37 S   HC   _H35    38     1.09653   111.20329   167.23924
   39    37 S   HC   _H36    39     1.09477   112.01522    49.39671
   40    33 S   OS   _O23    69     1.43305   109.26683    46.04777
   41    37 S   CO4  _C12    40     1.52963   110.78499   -72.27171
   42    41 S   O    _O22    41     1.23130   120.20352   164.96997
   43    41 S   CM   _C11    42     1.51265   119.54343   -15.87068
   44    43 S   CM   _C10    43     1.34886   118.88397   -12.57700
   45    44 S   HC   _H31    44     1.08580   120.10707  -177.22582
   46    43 S   CT   _C24    79     1.50436   118.05922   169.49903
   47    46 S   HC   _H51    80     1.09671   109.96116    47.25222
   48    46 S   HC   _H52    81     1.09788   110.07925   163.00558
   49    33 S   CT   _C18    45     1.55416   115.70792   161.62860
   50    46 S   CM   _C14    82     1.50239   111.92311   -74.13445
   51    50 S   HC   _H34    83     1.08792   117.46048    68.29834
   52    49 S   CT   _C17    46     1.53846   102.12669   -77.30544
   53    52 S   HC   _H38    47     1.09632   110.91070  -143.75451
   54    49 S   OS   _O26    74     1.46133   106.81311   171.55878
   55    50 S   CM   _C13    84     1.33809   124.12664  -112.63301
   56    55 S   HC   _H32    85     1.08485   120.35479  -179.39091
   57    55 S   HC   _H33    86     1.08430   121.66311     0.53959
   58    52 S   CT   _C16    48     1.55638   102.39215   -27.98246
   59    58 S   HC   _H37    49     1.09767   110.93013   121.43212
   60    52 S   CT   _C20    70     1.52714   117.18508    95.83973
   61    60 S   HC   _H39    71     1.09025   113.62732   -59.77812
   62    60 S   HC   _H40    72     1.09586   109.95572  -179.72589
   63    60 S   HC   _H41    73     1.09464   110.68729    61.93977
   64    54 S   CT   _C23    75     1.42363   116.71731  -171.92328
   65    64 S   HC   _H48    76     1.09365   107.82032  -165.87073
   66    64 S   HC   _H49    77     1.09374   110.35096    76.71111
   67    64 S   HC   _H50    78     1.09243   112.52774   -46.38583
   68    58 S   CA   _C7_    50     1.51318   113.04888  -116.51279
   69    68 S   CA   _C4_    51     1.39936   119.37168   -90.84419
   70    69 S   HA   _H28    52     1.08777   120.27499    -1.15555
   71    69 S   CA   _C5_    53     1.39652   120.80556   178.77315
   72    71 S   HA   _H29    54     1.08550   117.65065   179.80416
   73    71 S   CA   _C8_    55     1.39797   120.37703    -0.38512
   74    73 S   CA   _C9_    56     1.40714   119.47076    -0.10835
   75    73 S   OS   _O24    64     1.37338   124.59442  -179.89165
   76    68 S   CA   _C6_    57     1.40302   121.90571    87.22194
   77    76 S   HA   _H30    58     1.08566   118.34104     1.33808
   78    74 S   OS   _O25    59     1.37401   115.85944  -179.62466
   79    75 S   CT   _C21    65     1.42220   117.30645    -0.53705
   80    79 S   HC   _H42    66     1.09430   107.73817  -179.68041
   81    79 S   HC   _H43    67     1.09494   111.13306    62.61744
   82    79 S   HC   _H44    68     1.09497   111.15780   -61.96099
   83    78 S   CT   _C22    60     1.42237   117.35232   178.29177
   84    83 S   HC   _H45    61     1.09429   107.72653  -178.97779
   85    83 S   HC   _H46    62     1.09493   111.11645    63.35192
   86    83 S   HC   _H47    63     1.09510   111.18909   -61.26438
  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  11   5   4   3
  18   2   1   1  12   6   5  12   9   3  11  12   4   8   4   3
  14   4   3  12   8   6   2   1   1  12   4   4   2   1   1   3
   2   1   1   9   8   4   7   3  10   9   6   3   1   4   3   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    44    49    52    58    40    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    43    44    45    49    52    53    58    59    68    40    60    54    64  
   35    36  
   36  
    0  
   38    39    41    42    43    44    49    52    58    40    54    46  
   39    41    42    43    49    40  
   41    42    43    49    40  
   60    54    41    44    49    52    53    58    59    68    69    76  
   42    43    44    45    49    46    47    48    50  
   43    44    46  
   44    45    49    52    54    46    47    48    50    51    55  
   45    49    52    53    58    60    54    64    46    47    48    50  
   49    52    54    46  
   47    48    50    51    55    56    57    49  
   48    50    51    55  
   50    51    55  
   52    53    58    59    68    60    61    62    63    54    64    65    66    67  
   51    55    56    57  
   55    56    57  
   53    58    59    68    69    76    60    61    62    63    54    64  
   58    59    68    60    61    62    63    54  
   64    65    66    67    58    60  
   56    57  
   57  
    0  
   59    68    69    70    71    74    76    77    60    61    62    63  
   68    69    76    60  
   61    62    63    68  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    76    77    78  
   70    71    72    73    74    76    77    75  
   71    72    73    76  
   72    73    74    76    78    75    79  
   73    74    75  
   74    76    77    78    83    75    79    80    81    82  
   76    77    78    83    84    85    86    75    79  
   79    80    81    82    76    78  
   77    78    83  
   78  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   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   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   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   268.000  1.529
   33    49   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   549.000  1.340
   43    46   317.000  1.510
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    52   268.000  1.529
   49    54   320.000  1.410
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    68   317.000  1.510
   58    40   320.000  1.410
   68    69   469.000  1.400
   68    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    78   450.000  1.364
   76    77   367.000  1.080
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   54    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   317.000  1.510
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
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  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    49    44    70.00000  112.02700
   33    49    52    58.35000  112.70000
   33    49    54    50.00000  109.50000
   33    40    58    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    43    65.00000  118.62400
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    43    44    65.00000  118.96000
   41    43    46    65.00000  116.34900
   43    41    42    80.00000  123.72100
   43    44    45    35.00000  120.00000
   43    44    49    70.00000  124.00000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    50    70.00000  110.12100
   44    49    52    70.00000  112.02700
   44    49    54    85.00000  110.90400
   49    33    37    58.35000  112.70000
   49    44    45    35.00000  117.00000
   49    52    53    37.50000  110.70000
   49    52    58    58.35000  112.70000
   49    52    60    58.35000  112.70000
   49    54    64    60.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    68    70.00000  112.17500
   52    58    40    50.00000  109.50000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   58    52    53    37.50000  110.70000
   58    68    69    70.00000  120.00000
   58    68    76    70.00000  120.00000
   68    58    59    35.00000  109.50000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    76    74    63.00000  120.00000
   68    76    77    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    78    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    77    35.00000  120.00000
   74    78    83    75.00000  111.00000
   76    68    69    63.00000  120.00000
   78    74    76    70.00000  120.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    49    50.00000  109.50000
   40    58    59    35.00000  109.50000
   40    58    68    85.00000  111.85700
   60    52    53    37.50000  110.70000
   60    52    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   54    49    52    50.00000  109.50000
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   46    43    44    70.00000  124.00000
   46    50    51    35.00000  117.00000
   46    50    55    70.00000  124.00000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    57    35.00000  120.00000
   55    50    51    35.00000  120.00000
   57    55    56    35.00000  117.00000
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
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    49    54   0.56750  1.0 1.0
   29    33    49    54  -0.07550 -1.0 2.0
   29    33    49    54   0.20000  1.0 3.0
   29    33    40    58   0.14700  1.0 1.0
   29    33    40    58  -1.16150 -1.0 2.0
   29    33    40    58   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    43   0.65300  1.0 1.0
   33    37    41    43  -0.03850 -1.0 2.0
   33    37    41    43   0.33900  1.0 3.0
   33    49    52    53   0.15000  1.0 3.0
   33    49   -52    58   0.56750  1.0 1.0
   33    49   -52    58  -0.07550 -1.0 2.0
   33    49   -52    58   0.20000  1.0 3.0
   33    49    52    60   0.56750  1.0 1.0
   33    49    52    60  -0.07550 -1.0 2.0
   33    49    52    60   0.20000  1.0 3.0
   33    49    54    64   0.06250  1.0 1.0
   33    49    54    64  -0.01100 -1.0 2.0
   33    49    54    64   0.28050  1.0 3.0
   37    33    49    44   0.34400  1.0 1.0
   37    33    49    44   0.09450 -1.0 2.0
   37    33    49    44   0.11100  1.0 3.0
   37    33    49    52   0.56750  1.0 1.0
   37    33    49    52  -0.07550 -1.0 2.0
   37    33    49    52   0.20000  1.0 3.0
   37    33    49    54   0.62750  1.0 1.0
   37    33    49    54  -0.30950 -1.0 2.0
   37    33    49    54   0.27300  1.0 3.0
   37    33    40    58   0.06250  1.0 1.0
   37    33    40    58  -0.01100 -1.0 2.0
   37    33    40    58   0.28050  1.0 3.0
   37    41   -43    44  -0.33500  1.0 1.0
   37    41   -43    44   1.06600 -1.0 2.0
   37    41   -43    44  -0.14000  1.0 3.0
   37    41    43    46   0.25700  1.0 1.0
   37    41    43    46   0.66200 -1.0 2.0
   37    41    43    46   0.04450  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   41    43    44    45   7.00000 -1.0 2.0
   41    43    44    49   7.00000 -1.0 2.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    50   0.09700  1.0 1.0
   41    43    46    50   0.15600 -1.0 2.0
   41    43    46    50  -0.50800  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    46  -0.64400  1.0 1.0
   42    41    43    46   0.26850 -1.0 2.0
   43    44   -49    33   0.09850  1.0 1.0
   43    44   -49    33   0.15250 -1.0 2.0
   43    44   -49    33  -0.50650  1.0 3.0
   43    44    49    52   0.09850  1.0 1.0
   43    44    49    52   0.15250 -1.0 2.0
   43    44    49    52  -0.50650  1.0 3.0
   43    44    49    54   0.39000  1.0 1.0
   43    44    49    54  -0.05800 -1.0 2.0
   43    44    49    54  -0.55150  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    55  -0.28300  1.0 1.0
   43    46    50    55   0.26700 -1.0 2.0
   43    46    50    55  -0.63300  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    50  -0.28300  1.0 1.0
   44    43    46    50   0.26700 -1.0 2.0
   44    43    46    50  -0.63300  1.0 3.0
   44    49    52    53   0.15000  1.0 3.0
   44    49    52    58   0.34400  1.0 1.0
   44    49    52    58   0.09450 -1.0 2.0
   44    49    52    58   0.11100  1.0 3.0
   44    49    52    60   0.34400  1.0 1.0
   44    49    52    60   0.09450 -1.0 2.0
   44    49    52    60   0.11100  1.0 3.0
   44    49    54    64  -0.77900  1.0 1.0
   44    49    54    64  -0.36900 -1.0 2.0
   44    49    54    64   0.40400  1.0 3.0
   45    44    49    33   0.00000  1.0 1.0
   45    44    49    52   0.00000  1.0 1.0
   45    44    49    54   0.00000  1.0 1.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    41  -0.95700  1.0 1.0
   49    33   -37    41  -0.18200 -1.0 2.0
   49    33   -37    41   0.29450  1.0 3.0
   49    33   -40    58   0.06250  1.0 1.0
   49    33   -40    58  -0.01100 -1.0 2.0
   49    33   -40    58   0.28050  1.0 3.0
   49    52    58    59   0.15000  1.0 3.0
   49    52    58    68  -0.03700  1.0 1.0
   49    52    58    68   0.37200 -1.0 2.0
   49    52    58    68  -0.47300  1.0 3.0
   49    52   -58    40   0.62750  1.0 1.0
   49    52   -58    40  -0.30950 -1.0 2.0
   49    52   -58    40   0.27300  1.0 3.0
   49    52    60    61   0.15000  1.0 3.0
   49    52    60    62   0.15000  1.0 3.0
   49    52    60    63   0.15000  1.0 3.0
   49    54    64    65   0.37050  1.0 3.0
   49    54    64    66   0.37050  1.0 3.0
   49    54    64    67   0.37050  1.0 3.0
   52    49    54    64   0.06250  1.0 1.0
   52    49    54    64  -0.01100 -1.0 2.0
   52    49    54    64   0.28050  1.0 3.0
   52    58    68    69   0.04150 -1.0 2.0
   52    58    68    76   0.04150 -1.0 2.0
   52    58   -40    33   0.06250  1.0 1.0
   52    58   -40    33  -0.01100 -1.0 2.0
   52    58   -40    33   0.28050  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    68   0.43200  1.0 3.0
   53    52    58    40   0.23400  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   58    52    60    61   0.15000  1.0 3.0
   58    52    60    62   0.15000  1.0 3.0
   58    52    60    63   0.15000  1.0 3.0
   58    68    69    70   3.62500 -1.0 2.0
   58    68    69    71   3.62500 -1.0 2.0
   58    68    76    74   3.62500 -1.0 2.0
   58    68    76    77   3.62500 -1.0 2.0
   59    58    68    69   0.00000  1.0 1.0
   59    58    68    76   0.00000  1.0 1.0
   59    58    40    33   0.37050  1.0 3.0
   68    58    40    33   0.37500  1.0 3.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    76    74   3.62500 -1.0 2.0
   69    68    76    77   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    68   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    78    83   1.63200 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    78    83    84   0.08050  1.0 3.0
   74    78    83    85   0.08050  1.0 3.0
   74    78    83    86   0.08050  1.0 3.0
   76    68    69    70   3.62500 -1.0 2.0
   76    68   -69    71   3.62500 -1.0 2.0
   76    74    78    83   1.63200 -1.0 2.0
   78    74    76    68   3.62500 -1.0 2.0
   78    74    76    77   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    78   3.62500 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    49    44   0.61850  1.0 1.0
   40    33    49    44  -0.22750 -1.0 2.0
   40    33    49    44   0.15300  1.0 3.0
   40    33   -49    52   0.62750  1.0 1.0
   40    33   -49    52  -0.30950 -1.0 2.0
   40    33   -49    52   0.27300  1.0 3.0
   40    33    49    54   1.11900  1.0 1.0
   40    33    49    54  -1.16350 -1.0 2.0
   40    33    49    54  -0.34150  1.0 3.0
   40    58    68    69   0.64500  1.0 1.0
   40    58    68    69   0.14800 -1.0 2.0
   40    58    68    69   0.20650  1.0 3.0
   40    58    68    76   0.64500  1.0 1.0
   40    58    68    76   0.14800 -1.0 2.0
   40    58    68    76   0.20650  1.0 3.0
   60    52    58    59   0.15000  1.0 3.0
   60    52    58    68  -0.03700  1.0 1.0
   60    52    58    68   0.37200 -1.0 2.0
   60    52    58    68  -0.47300  1.0 3.0
   60    52    58    40   0.62750  1.0 1.0
   60    52    58    40  -0.30950 -1.0 2.0
   60    52    58    40   0.27300  1.0 3.0
   54    49    52    53   0.23400  1.0 3.0
   54    49    52    58   0.62750  1.0 1.0
   54    49    52    58  -0.30950 -1.0 2.0
   54    49    52    58   0.27300  1.0 3.0
   54    49    52    60   0.62750  1.0 1.0
   54    49    52    60  -0.30950 -1.0 2.0
   54    49    52    60   0.27300  1.0 3.0
   46    43    44    45   7.00000 -1.0 2.0
   46    43    44    49   7.00000 -1.0 2.0
   46    50    55    56   7.00000 -1.0 2.0
   46    50    55    57   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    55   0.00000  1.0 1.0
   48    46    50    51   0.33100  1.0 3.0
   48    46    50    55   0.00000  1.0 1.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    57   7.00000 -1.0 2.0
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
   37    43    41    42  10.50000 -1.0 2.0
   41    46    43    44   1.10000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   69    76    68    58   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    78    74    73   4.00000 -1.0 2.0
   74    77    76    68   1.10000 -1.0 2.0
   46    51    50    55  15.00000 -1.0 2.0
   56    57    55    50  15.00000 -1.0 2.0
END
