* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    244     454
    1     0 S   NP   _N1_     1    28.81644    93.75943   -20.36301
    2     1 S   H    _HN1     2     1.02836    30.82729   133.92888
    3     1 S   H    _H1_     3     1.02785    84.77505   -87.06709
    4     1 S   H    _H2_     4     1.02963    96.17044    20.84250
    5     1 S   CT   _CA1     5     1.50148   140.40396   153.81456
    6     5 S   HC   _HA1     6     1.09557   105.24078    48.46257
    7     5 S   CO3  _C1_     7     1.53793   112.56423   -71.86071
    8     7 S   O2Z  _O11     8     1.26423   115.08342   -36.95989
    9     7 S   O2Z  _O12     9     1.26223   115.08903   142.19229
   10     5 S   CT   _CB1    10     1.53072   107.44009   166.68389
   11    10 S   HC   HB11    11     1.09821   109.59199   -47.50927
   12    10 S   HC   HB12    12     1.09837   110.21736    69.11448
   13    10 S   CT   _CG1    13     1.53018   112.73948  -168.55199
   14    13 S   HC   HG11    14     1.09596   110.41898   -60.69060
   15    13 S   HC   HG12    15     1.09622   110.14816    58.67044
   16    13 S   C    _CD1    16     1.51765   112.17409   179.21043
   17    16 S   O    _OE1    17     1.22715   123.25811    -5.62741
   18    16 S   N    _N2_    18     1.38608   111.59029   173.94492
   19    18 S   H    _HN2    19     1.01547   118.98897     4.07722
   20    18 S   CT1  _CA2    20     1.46282   123.36573  -174.08789
   21    20 S   HC   _HA2    21     1.09724   109.31778   -17.38362
   22    20 S   C    _C2_    22     1.53327   108.37519  -133.40318
   23    22 S   O    _O2_    23     1.23002   122.25753  -145.83305
   24    20 S   CT   _CB2    32     1.53642   111.18279   104.58779
   25    24 S   HC   HB21    33     1.09343   109.32479    57.35085
   26    24 S   HC   HB22    34     1.09508   110.61016   175.86379
   27    22 S   N    _N3_    24     1.38508   113.30928    41.43982
   28    27 S   H    _HN3    25     1.01536   118.91425    -0.32626
   29    24 S   S    _SG2    35     1.82629   111.51935   -64.40209
   30    27 S   CT   _CA3    26     1.45443   123.40697   175.23951
   31    30 S   HC   HA31    27     1.09525   109.19694    25.08616
   32    30 S   HC   HA32    28     1.09494   107.13015   142.08715
   33    29 S   CT   _C22    36     1.82485   100.56260   163.52649
   34    33 S   HC   _H3_    37     1.09697   107.18503    53.62312
   35    33 S   HC   _H4_    38     1.09542   107.41239   166.36508
   36    30 S   CO3  _C3_    29     1.52923   113.14656   -98.36162
   37    36 S   O2Z  _O31    30     1.26399   115.42099   -43.98163
   38    36 S   O2Z  _O32    31     1.26355   114.96941   136.95822
   39    33 S   CT   _C16    39     1.54466   116.26462   -69.74843
   40    39 S   HC   _H40    40     1.09664   105.62467    69.98747
   41    39 S   CO4  _C6_    41     1.52229   109.35995  -179.41050
   42    41 S   O    _O21    42     1.22732   123.30006   -10.95600
   43    41 S   OS   _O24    43     1.35509   115.36566   176.66399
   44    43 S   CT   _C14    44     1.43880   120.96198   -40.80002
   45    44 S   HC   _H37    45     1.09486   106.42650   -80.64396
   46    44 S   HC   _H38    46     1.09713   106.57199   167.35460
   47    44 S   CT   _C20    47     1.54436   114.65880    44.12620
   48    47 S   CT   _C13    48     1.55797   108.85766  -170.80452
   49    48 S   HC   _H35    49     1.09899   110.29218   -51.99386
   50    48 S   HC   _H36    50     1.10067   109.31903  -166.52999
   51    39 S   CT   _C17    61     1.55069   117.03787   -50.64953
   52    51 S   HC   _H41    62     1.09742   107.75518    60.89752
   53    47 S   CM   _C10    78     1.53289   107.62584    75.35862
   54    53 S   HC   _H34    79     1.09019   116.01016    38.29513
   55    48 S   CT   _C19    51     1.53997   115.31911    71.86806
   56    55 S   HC   _H43    52     1.09665   111.50425   -69.00704
   57    53 S   CM   _C8_    80     1.33900   127.82066  -144.65873
   58    57 S   HC   _H30    81     1.08528   120.16281  -178.60675
   59    57 S   HC   _H31    82     1.08147   122.52131     0.43611
   60    55 S   CT   _C15    53     1.52116   108.20534    52.33573
   61    60 S   HC   _H39    54     1.10046   109.16241    61.02908
   62    55 S   OS   _O26    66     1.44274   108.19172   169.96117
   63    60 S   CM   _C4_    55     1.48696   122.07320  -174.78237
   64    62 S   CO4  _C12    67     1.35984   117.26963    87.82630
   65    64 S   O    _O22    68     1.22297   125.79935    -0.64650
   66    63 S   CO4  _C5_    56     1.48574   106.11911   153.28038
   67    66 S   O    _O20    57     1.21677   127.32566   164.87725
   68    63 S   CM   _C7_    63     1.33402   131.40476   -24.76003
   69    68 S   HC   _H28    64     1.08397   121.37909    -1.33706
   70    68 S   HC   _H29    65     1.08521   121.44796   178.97092
   71    64 S   CM   _C11    69     1.48979   109.82823   179.28127
   72    66 S   OS   _O23    58     1.37165   106.47352   -13.69828
   73    71 S   CM   _C9_    70     1.34212   117.15496  -175.37636
   74    73 S   HC   _H32    71     1.08559   120.92164  -179.05768
   75    73 S   HC   _H33    72     1.08528   122.53552     1.23162
   76    71 S   CT   _C21    73     1.49841   120.54000     6.76353
   77    76 S   HC   _H44    74     1.09507   111.73959   171.25041
   78    76 S   HC   _H45    75     1.09510   110.67854    52.02104
   79    60 S   CT   _C18    59     1.51898   110.33361   -60.63069
   80    79 S   HC   _H42    60     1.09916   111.75522   -56.02621
   81    76 S   OH   _O25    76     1.42150   109.78216   -69.57603
   82    81 S   HO   _H48    77     0.97636   107.01898   121.81506
  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   7   5   4   3
  11   5   4   2   1   1  14   7   9   3   7  13   5   4  17  15
   7   6  12   5   6   3  13   6   2   1   1  12   7   7   8   9
   3   7   3   4   1   1   8   2   6   2   1   4   3   2   1   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    79    51    52  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    60    72    79    80    51    52    53  
   41    42    43    47    79    51    52  
   42    43    44    45    46    47    79    51    52  
   43    44    51  
   44    45    46    47    48    51    53  
   45    46    47    48    49    50    55    79    51    52    53    54    57  
   46    47    48    51    53  
   47    48    51    53  
   48    49    50    55    56    60    72    79    80    51    52    62    53    54    57    58    59  
   49    50    55    56    60    61    63    79    51    52    62    64    53    54    57  
   50    55    56    60    51    62    53  
   55    56    60    51    62    53  
   52    53    54    57    55    60    61    63    66    72    79    80  
   53    60    72    79    80  
   54    57    58    59    55    79  
   57    58    59  
   56    60    61    63    66    72    79    80    68    62    64    65    71  
   60    61    63    79    62    64  
   58    59  
   59  
    0  
   61    63    66    67    72    79    80    68    69    70    62    64  
   63    66    72    79    80    68    62  
   64    65    71    73    76    63    79  
   66    67    72    79    80    68    69    70  
   65    71    73    74    75    76    77    78    81  
   71    73    76  
   67    72    79    80    68    69    70  
   72    79    68  
   69    70    72    79  
   70  
    0  
   73    74    75    76    77    78    81    82  
   79    80  
   74    75    76    77    78    81  
   75    76  
   76  
   77    78    81    82  
   78    81    82  
   81    82  
   80  
    0  
   82  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    51   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    51   268.000  1.529
   47    53   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    79   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    79   320.000  1.410
   79    80   340.000  1.090
   79    51   268.000  1.529
   51    52   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   320.000  1.462
   71    73   549.000  1.340
   71    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   81    82   553.000  0.945
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    59   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    51    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    51    47    58.35000  112.70000
   39    51    79    58.35000  112.70000
   39    51    52    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    51    58.35000  112.70000
   44    47    53    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    55    58.35000  112.70000
   47    51    79    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    53    54    35.00000  117.00000
   47    53    57    70.00000  124.00000
   48    55    56    37.50000  110.70000
   48    55    60    58.35000  112.70000
   48    55    62    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    63    70.00000  112.02700
   55    60    79    58.35000  112.70000
   55    62    64    83.00000  116.90000
   60    55    56    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    79    72    50.00000  109.50000
   60    79    80    37.50000  110.70000
   60    79    51    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    72    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    72    79    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    79    80    35.00000  109.50000
   72    79    51    50.00000  109.50000
   79    60    61    37.50000  110.70000
   79    60    63    70.00000  112.02700
   79    51    52    37.50000  110.70000
   51    39    40    37.50000  110.70000
   51    39    41    63.00000  111.10000
   51    47    48    58.35000  112.70000
   51    79    80    37.50000  110.70000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    55    56    35.00000  109.50000
   62    55    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    90.00000  111.29400
   64    71    73    65.00000  118.96000
   64    71    76    65.00000  116.34900
   71    64    65    80.00000  123.72100
   71    73    74    35.00000  120.00000
   71    73    75    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    81    90.00000  110.39200
   75    73    74    35.00000  117.00000
   76    71    73    70.00000  124.00000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   53    47    48    70.00000  112.02700
   53    47    51    70.00000  112.02700
   53    57    58    35.00000  120.00000
   53    57    59    35.00000  120.00000
   57    53    54    35.00000  120.00000
   59    57    58    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    51    47   0.56750  1.0 1.0
   33    39    51    47  -0.07550 -1.0 2.0
   33    39    51    47   0.20000  1.0 3.0
   33    39    51    79   0.56750  1.0 1.0
   33    39    51    79  -0.07550 -1.0 2.0
   33    39    51    79   0.20000  1.0 3.0
   33    39    51    52   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    51   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    51   0.15000  1.0 3.0
   39    41    43    44   1.63150  1.0 1.0
   39    41    43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    51    47   0.15000  1.0 3.0
   40    39    51    79   0.15000  1.0 3.0
   40    39    51    52   0.15000  1.0 3.0
   41    39    51    47  -0.95700  1.0 1.0
   41    39    51    47  -0.18200 -1.0 2.0
   41    39    51    47   0.29450  1.0 3.0
   41    39    51    79  -0.95700  1.0 1.0
   41    39    51    79  -0.18200 -1.0 2.0
   41    39    51    79   0.29450  1.0 3.0
   41    39    51    52  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43   -44    47  -0.25900  1.0 1.0
   41    43   -44    47  -0.47000 -1.0 2.0
   41    43   -44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    47    48   0.62750  1.0 1.0
   43    44    47    48  -0.30950 -1.0 2.0
   43    44    47    48   0.27300  1.0 3.0
   43    44    47    51   0.62750  1.0 1.0
   43    44    47    51  -0.30950 -1.0 2.0
   43    44    47    51   0.27300  1.0 3.0
   43    44    47    53   0.61850  1.0 1.0
   43    44    47    53  -0.22750 -1.0 2.0
   43    44    47    53   0.15300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    55   0.56750  1.0 1.0
   44    47    48    55  -0.07550 -1.0 2.0
   44    47    48    55   0.20000  1.0 3.0
   44    47   -51    39   0.56750  1.0 1.0
   44    47   -51    39  -0.07550 -1.0 2.0
   44    47   -51    39   0.20000  1.0 3.0
   44    47    51    79   0.56750  1.0 1.0
   44    47    51    79  -0.07550 -1.0 2.0
   44    47    51    79   0.20000  1.0 3.0
   44    47    51    52   0.15000  1.0 3.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    57   0.09850  1.0 1.0
   44    47    53    57   0.15250 -1.0 2.0
   44    47    53    57  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   45    44    47    53   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   46    44    47    53   0.15000  1.0 3.0
   47    48    55    56   0.15000  1.0 3.0
   47    48    55    60   0.56750  1.0 1.0
   47    48    55    60  -0.07550 -1.0 2.0
   47    48    55    60   0.20000  1.0 3.0
   47    48    55    62   0.62750  1.0 1.0
   47    48    55    62  -0.30950 -1.0 2.0
   47    48    55    62   0.27300  1.0 3.0
   47    53    57    58   7.00000 -1.0 2.0
   47    53    57    59   7.00000 -1.0 2.0
   48    47    51    39   0.56750  1.0 1.0
   48    47    51    39  -0.07550 -1.0 2.0
   48    47    51    39   0.20000  1.0 3.0
   48    47    51    79   0.56750  1.0 1.0
   48    47    51    79  -0.07550 -1.0 2.0
   48    47    51    79   0.20000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    57   0.09850  1.0 1.0
   48    47    53    57   0.15250 -1.0 2.0
   48    47    53    57  -0.50650  1.0 3.0
   48    55    60    61   0.15000  1.0 3.0
   48    55    60    63   0.34400  1.0 1.0
   48    55    60    63   0.09450 -1.0 2.0
   48    55    60    63   0.11100  1.0 3.0
   48    55   -60    79   0.56750  1.0 1.0
   48    55   -60    79  -0.07550 -1.0 2.0
   48    55   -60    79   0.20000  1.0 3.0
   48    55    62    64  -0.25900  1.0 1.0
   48    55    62    64  -0.47000 -1.0 2.0
   48    55    62    64   0.11750  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    60   0.15000  1.0 3.0
   49    48    55    62   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    60   0.15000  1.0 3.0
   50    48    55    62   0.23400  1.0 3.0
   55    60    63    66   0.09700  1.0 1.0
   55    60    63    66   0.15600 -1.0 2.0
   55    60    63    66  -0.50800  1.0 3.0
   55    60    63    68   0.09850  1.0 1.0
   55    60    63    68   0.15250 -1.0 2.0
   55    60    63    68  -0.50650  1.0 3.0
   55    60    79    72   0.62750  1.0 1.0
   55    60    79    72  -0.30950 -1.0 2.0
   55    60    79    72   0.27300  1.0 3.0
   55    60    79    80   0.15000  1.0 3.0
   55    60    79    51   0.56750  1.0 1.0
   55    60    79    51  -0.07550 -1.0 2.0
   55    60    79    51   0.20000  1.0 3.0
   55    62    64    65   3.00000 -1.0 2.0
   55    62    64    71   2.00000 -1.0 2.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    79   0.15000  1.0 3.0
   56    55    62    64   0.08050  1.0 3.0
   60    55    62    64  -0.25900  1.0 1.0
   60    55    62    64  -0.47000 -1.0 2.0
   60    55    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    72  -0.15000  1.0 1.0
   60    63   -66    72   0.89550 -1.0 2.0
   60    63   -66    72  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    79    51    39   0.56750  1.0 1.0
   60    79    51    39  -0.07550 -1.0 2.0
   60    79    51    39   0.20000  1.0 3.0
   60    79   -51    47   0.56750  1.0 1.0
   60    79   -51    47  -0.07550 -1.0 2.0
   60    79   -51    47   0.20000  1.0 3.0
   60    79    51    52   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    79    72   0.23400  1.0 3.0
   61    60    79    80   0.15000  1.0 3.0
   61    60    79    51   0.15000  1.0 3.0
   63    60   -79    72   0.61850  1.0 1.0
   63    60   -79    72  -0.22750 -1.0 2.0
   63    60   -79    72   0.15300  1.0 3.0
   63    60    79    80   0.15000  1.0 3.0
   63    60    79    51   0.34400  1.0 1.0
   63    60    79    51   0.09450 -1.0 2.0
   63    60    79    51   0.11100  1.0 3.0
   63    66   -72    79   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    72   -79    60  -0.25900  1.0 1.0
   66    72   -79    60  -0.47000 -1.0 2.0
   66    72   -79    60   0.11750  1.0 3.0
   66    72    79    80   0.08050  1.0 3.0
   66    72    79    51  -0.25900  1.0 1.0
   66    72    79    51  -0.47000 -1.0 2.0
   66    72    79    51   0.11750  1.0 3.0
   67    66    72    79   3.00000 -1.0 2.0
   72    79    51    39   0.62750  1.0 1.0
   72    79    51    39  -0.30950 -1.0 2.0
   72    79    51    39   0.27300  1.0 3.0
   72    79    51    47   0.62750  1.0 1.0
   72    79    51    47  -0.30950 -1.0 2.0
   72    79    51    47   0.27300  1.0 3.0
   72    79    51    52   0.23400  1.0 3.0
   79    60   -63    66   0.09700  1.0 1.0
   79    60   -63    66   0.15600 -1.0 2.0
   79    60   -63    66  -0.50800  1.0 3.0
   79    60    63    68   0.09850  1.0 1.0
   79    60    63    68   0.15250 -1.0 2.0
   79    60    63    68  -0.50650  1.0 3.0
   80    79    51    39   0.15000  1.0 3.0
   80    79    51    47   0.15000  1.0 3.0
   80    79    51    52   0.15000  1.0 3.0
   51    39    41    42   0.30150 -1.0 2.0
   51    39   -41    43   0.36750  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47   -48    55   0.56750  1.0 1.0
   51    47   -48    55  -0.07550 -1.0 2.0
   51    47   -48    55   0.20000  1.0 3.0
   51    47    53    54   0.00000  1.0 1.0
   51    47    53    57   0.09850  1.0 1.0
   51    47    53    57   0.15250 -1.0 2.0
   51    47    53    57  -0.50650  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    72  -0.56150  1.0 1.0
   68    63    66    72   2.19150 -1.0 2.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    63   0.61850  1.0 1.0
   62    55    60    63  -0.22750 -1.0 2.0
   62    55    60    63   0.15300  1.0 3.0
   62    55    60    79   0.62750  1.0 1.0
   62    55    60    79  -0.30950 -1.0 2.0
   62    55    60    79   0.27300  1.0 3.0
   62    64    71    73  -0.56150  1.0 1.0
   62    64    71    73   2.19150 -1.0 2.0
   62    64    71    76  -0.15000  1.0 1.0
   62    64    71    76   0.89550 -1.0 2.0
   62    64    71    76  -0.06900  1.0 3.0
   64    71    73    74   7.00000 -1.0 2.0
   64    71    73    75   7.00000 -1.0 2.0
   64    71    76    77   0.15000  1.0 3.0
   64    71    76    78   0.15000  1.0 3.0
   64    71    76    81   0.09700  1.0 1.0
   64    71    76    81   0.15600 -1.0 2.0
   64    71    76    81  -0.50800  1.0 3.0
   65    64    71    73   1.00000 -1.0 2.0
   65    64    71    76  -0.64400  1.0 1.0
   65    64    71    76   0.26850 -1.0 2.0
   71    76    81    82  -0.07800  1.0 1.0
   71    76    81    82  -0.21500 -1.0 2.0
   71    76    81    82  -0.03150  1.0 3.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   73    71    76    81   0.67800  1.0 1.0
   73    71    76    81   0.47050 -1.0 2.0
   73    71    76    81  -0.62500  1.0 3.0
   76    71    73    74   7.00000 -1.0 2.0
   76    71    73    75   7.00000 -1.0 2.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   0.19450  1.0 3.0
   53    47    48    49   0.15000  1.0 3.0
   53    47    48    50   0.15000  1.0 3.0
   53    47    48    55   0.34400  1.0 1.0
   53    47    48    55   0.09450 -1.0 2.0
   53    47    48    55   0.11100  1.0 3.0
   53    47    51    39   0.34400  1.0 1.0
   53    47    51    39   0.09450 -1.0 2.0
   53    47    51    39   0.11100  1.0 3.0
   53    47    51    79   0.34400  1.0 1.0
   53    47    51    79   0.09450 -1.0 2.0
   53    47    51    79   0.11100  1.0 3.0
   53    47    51    52   0.15000  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    59   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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    72    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
   64    76    71    73  15.00000 -1.0 2.0
   74    75    73    71  15.00000 -1.0 2.0
   47    54    53    57  15.00000 -1.0 2.0
   58    59    57    53  15.00000 -1.0 2.0
END
