* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    148    229     426
    1     0 S   NP   _N1_     1    29.19657    97.26683   -20.95094
    2     1 S   H    _HN1     2     1.02951    76.72759    36.63037
    3     1 S   H    _H1_     3     1.02829    44.47379   168.63868
    4     1 S   H    _H2_     4     1.02772    87.89435   -72.85741
    5     1 S   CT   _CA1     5     1.50213   153.65754   145.74761
    6     5 S   HC   _HA1     6     1.09573   105.09481    76.17279
    7     5 S   CO3  _C1_     7     1.53885   112.40691   -43.73938
    8     7 S   O2Z  _O11     8     1.26397   114.96077   -37.59107
    9     7 S   O2Z  _O12     9     1.26228   114.98310   141.09118
   10     5 S   CT   _CB1    10     1.53102   107.34284  -165.91204
   11    10 S   HC   HB11    11     1.09816   109.38431   -47.86132
   12    10 S   HC   HB12    12     1.09816   110.40228    68.79930
   13    10 S   CT   _CG1    13     1.52928   112.66379  -168.90460
   14    13 S   HC   HG11    14     1.09550   110.30534   -64.25337
   15    13 S   HC   HG12    15     1.09662   110.05468    54.76072
   16    13 S   C    _CD1    16     1.51940   112.44917   174.89669
   17    16 S   O    _OE1    17     1.22694   123.37114    -6.45916
   18    16 S   N    _N2_    18     1.38451   111.39360   174.22993
   19    18 S   H    _HN2    19     1.01515   118.73683     0.97699
   20    18 S   CT1  _CA2    20     1.46247   124.16226  -178.96014
   21    20 S   HC   _HA2    21     1.09731   109.28288   -15.82122
   22    20 S   C    _C2_    22     1.53526   108.17521  -131.04189
   23    22 S   O    _O2_    23     1.23013   122.58312  -150.35688
   24    20 S   CT   _CB2    32     1.53491   110.96889   106.72833
   25    24 S   HC   HB21    33     1.09474   109.47438    46.86920
   26    24 S   HC   HB22    34     1.09487   110.77256   165.79763
   27    22 S   N    _N3_    24     1.38434   113.37104    37.42145
   28    27 S   H    _HN3    25     1.01638   119.25470    -3.25203
   29    24 S   S    _SG2    35     1.83454   111.12711   -75.78126
   30    27 S   CT   _CA3    26     1.45306   123.38775   176.20434
   31    30 S   HC   HA31    27     1.09532   107.16823   -76.54461
   32    30 S   HC   HA32    28     1.09536   108.58251    39.99810
   33    29 S   CT   _C18    36     1.85744   102.55897   152.53158
   34    33 S   OM   _O35    37     1.32022   112.70573    37.84307
   35    30 S   CO3  _C3_    29     1.52938   113.98233   162.70100
   36    35 S   O2Z  _O31    30     1.26362   116.04994     6.95156
   37    35 S   O2Z  _O32    31     1.26423   114.42342  -173.09351
   38    33 S   CM   _C19    38     1.54616   107.56509   158.55909
   39    38 S   CMA  _C20    39     1.35256   110.94619   114.37879
   40    39 S   OM   _O33    40     1.25371   138.21302  -179.07804
   41    38 S   CO4  _C21    76     1.50291   123.14920   -64.58850
   42    41 S   O    _O34    77     1.23274   121.16413     4.49165
   43    39 S   NE   _N5_    41     1.37186   109.57384     1.54990
   44    43 S   H    _H17    42     1.01050   119.74568   171.83278
   45    41 S   CT   _C22    78     1.50799   119.60899  -175.66234
   46    45 S   HC   _H18    79     1.09273   110.52837    57.28295
   47    45 S   HC   _H19    80     1.09258   110.35890   -66.52133
   48    45 S   HC   _H20    81     1.09506   109.05523   175.17347
   49    33 S   CT   _C17    43     1.58952   115.00975   -88.68211
   50    49 S   HC   _H3_    44     1.10024   111.01327   139.69104
   51    49 S   CT   _C16    45     1.53846   117.86421    13.03383
   52    51 S   HC   _H15    46     1.09130   110.55816    53.33054
   53    51 S   HC   _H16    47     1.09847   110.21399   -64.07627
   54    51 S   C5B  _C14    48     1.50335   113.44400   174.81439
   55    54 S   C5A  _C15    49     1.38182   123.80580    94.87561
   56    55 S   HA   _H13    50     1.08155   130.89071    -0.14671
   57    55 S   NA   _N4_    51     1.36177   108.61618   179.38770
   58    57 S   H    _H14    52     1.01038   124.94549  -179.09626
   59    57 S   C56A _C12    53     1.37415   110.25606     0.01978
   60    59 S   CA   _C11    54     1.39880   128.71322  -179.74512
   61    60 S   HA   _H12    55     1.08506   121.33024    -0.55708
   62    60 S   CA   _C10    56     1.39044   117.80445   178.94501
   63    62 S   HA   _H11    57     1.08660   119.69362  -179.59555
   64    62 S   CA   _C9_    58     1.39035   120.52211    -0.11535
   65    64 S   HA   _H10    59     1.08890   118.36572  -179.11574
   66    64 S   CA   _C8_    60     1.41561   122.08465     0.52675
   67    54 S   C56B _C13    61     1.44468   129.15214   -86.22140
   68    66 S   CT   _C7_    62     1.51784   117.06076  -178.05057
   69    68 S   HC   _H8_    63     1.09186   109.93510  -150.99106
   70    68 S   HC   _H9_    64     1.09467   108.23231   -36.50180
   71    68 S   CM   _C6_    65     1.50491   111.66373    87.58737
   72    71 S   HC   _H7_    66     1.08964   114.52839    43.29497
   73    71 S   CM   _C5_    67     1.34649   127.85599  -135.83122
   74    73 S   CT   _C4_    68     1.50580   120.42513   178.55979
   75    74 S   HC   _H4_    69     1.09415   110.18277   122.13149
   76    74 S   HC   _H5_    70     1.09486   110.17444  -118.25973
   77    74 S   HC   _H6_    71     1.09510   112.51745     1.99036
   78    73 S   CT   _C23    72     1.50221   125.24493    -1.94421
   79    78 S   HC   _H21    73     1.09485   110.07581   114.66714
   80    78 S   HC   _H22    74     1.09547   110.03409  -126.05551
   81    78 S   HC   _H23    75     1.09187   113.59267    -6.41741
  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   9   5   4   3
  15   7   2   1   1  13   9   4   7   4   7   3   3   2   1   1
   7   4   9   4   3  10   7   4   7   3   8   7   4   6   3   7
   3   7   4   7   4   3  10   3   8   7   3   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    49    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    50    51    52    53    54    41    42    45  
   38    39    43    49    50    51    41  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    41    42    45    46    47    48  
   40    43    44    49    50    51    41    42    45  
   43    44    49    41  
   42    45    46    47    48    43    49  
   45    46    47    48  
   44    49    50    51    52    53    54  
   49    50    51  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    67  
   51    52    53    54  
   52    53    54    55    56    57    59    66    67  
   53    54    55    67  
   54    55    67  
   55    56    57    58    59    60    64    66    67    68  
   56    57    58    59    60    66    67  
   57    58    59    67  
   58    59    60    61    62    66    67  
   59    60    67  
   60    61    62    63    64    66    67    68  
   61    62    63    64    65    66    67  
   62    63    64    67  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   58   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   317.000  1.510
   33    49   268.000  1.529
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   415.000  1.382
   43    44   434.000  1.010
   43    49   382.000  1.448
   49    50   340.000  1.090
   49    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   295.000  1.494
   54    55   520.000  1.370
   54    67   380.000  1.440
   55    56   367.000  1.080
   55    57   427.000  1.381
   57    58   434.000  1.010
   57    59   428.000  1.380
   59    60   469.000  1.400
   59    67   447.000  1.419
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.404
   66    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    49    43    80.00000  111.61500
   33    49    50    37.50000  110.70000
   33    49    51    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    75.00000  114.40000
   38    41    42    80.00000  123.72100
   38    41    45    65.00000  118.62400
   39    43    44    50.00000  121.48000
   39    43    49    50.00000  121.00000
   43    39    40   105.00000  113.92000
   43    49    50    35.00000  109.50000
   43    49    51    80.00000  111.61500
   49    33    34    50.00000  109.50000
   49    33    38    70.00000  112.02700
   49    43    44    35.00000  112.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    70.00000  112.62400
   51    49    50    37.50000  110.70000
   51    54    55    55.00000  127.77900
   51    54    67    55.00000  128.73000
   53    51    52    33.00000  107.80000
   54    51    52    45.00000  111.11700
   54    51    53    45.00000  111.11700
   54    55    56    35.00000  130.70000
   54    55    57    70.00000  106.30000
   54    67    59    80.00000  107.43600
   54    67    66    50.00000  134.85500
   55    57    58    35.00000  120.00000
   55    57    59    90.00000  107.14200
   57    55    56    35.00000  121.60000
   57    59    60    70.00000  132.80000
   57    59    67    70.00000  104.40000
   59    57    58    35.00000  123.10000
   59    60    61    35.00000  120.00000
   59    60    62    85.00000  120.00000
   59    67    66    85.00000  116.20000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    68    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    70.00000  112.99600
   67    54    55    80.00000  105.82900
   67    59    60    85.00000  122.70000
   68    66    67    70.00000  120.00000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   45    41    42    80.00000  120.40000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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
   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    43   0.56750  1.0 1.0
   29    33    49    43  -0.07550 -1.0 2.0
   29    33    49    43   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    45   0.25700  1.0 1.0
   33    38    41    45   0.66200 -1.0 2.0
   33    38    41    45   0.04450  1.0 3.0
   33    49    51    52   0.15000  1.0 3.0
   33    49    51    53   0.15000  1.0 3.0
   33    49    51    54  -0.03700  1.0 1.0
   33    49    51    54   0.37200 -1.0 2.0
   33    49    51    54  -0.47300  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    49    43   2.03850  1.0 1.0
   34    33    49    43  -0.40600 -1.0 2.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    51   0.62750  1.0 1.0
   34    33    49    51  -0.30950 -1.0 2.0
   34    33    49    51   0.27300  1.0 3.0
   38    33   -49    43   0.21700  1.0 1.0
   38    33   -49    43   0.68550 -1.0 2.0
   38    33   -49    43  -0.27950  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   0.34400  1.0 1.0
   38    33    49    51   0.09450 -1.0 2.0
   38    33    49    51   0.11100  1.0 3.0
   38    39    43    44   1.00000 -1.0 2.0
   38    39   -43    49  -0.54700  1.0 1.0
   38    39   -43    49   1.23000 -1.0 2.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    48   0.00000  1.0 1.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    45  -0.33500  1.0 1.0
   39    38    41    45   1.06600 -1.0 2.0
   39    38    41    45  -0.14000  1.0 3.0
   39    43   -49    33   0.25450  1.0 1.0
   39    43   -49    33  -0.61700 -1.0 2.0
   39    43   -49    33  -0.23550  1.0 3.0
   39    43    49    50   0.00000  1.0 1.0
   39    43    49    51   0.25450  1.0 1.0
   39    43    49    51  -0.61700 -1.0 2.0
   39    43    49    51  -0.23550  1.0 3.0
   40    39    43    44   1.00000 -1.0 2.0
   40    39    43    49   1.00000 -1.0 2.0
   43    49    51    52   0.22950  1.0 3.0
   43    49    51    53   0.22950  1.0 3.0
   43    49    51    54   0.08550  1.0 1.0
   43    49    51    54   1.07500 -1.0 2.0
   43    49    51    54  -0.10950  1.0 3.0
   44    43    49    33   0.00000  1.0 1.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   49    33   -38    39   0.09850  1.0 1.0
   49    33   -38    39   0.15250 -1.0 2.0
   49    33   -38    39  -0.50650  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   49    51    54    55   0.04150 -1.0 2.0
   49    51    54    67   0.04150 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.43200  1.0 3.0
   51    54    55    56   3.62500 -1.0 2.0
   51    54    55    57   3.62500 -1.0 2.0
   51    54    67    59   3.62500 -1.0 2.0
   51    54    67    66   3.62500 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    67   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    67   0.00000  1.0 1.0
   54    55    57    58   1.40000 -1.0 2.0
   54    55   -57    59   3.62500 -1.0 2.0
   55    54   -67    59   3.50000 -1.0 2.0
   55    54    67    66   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    67   3.62500 -1.0 2.0
   56    55    57    58   2.00000 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59    60    62   3.62500 -1.0 2.0
   57    59   -67    54   3.00000 -1.0 2.0
   57    59    67    66   3.00000 -1.0 2.0
   58    57    59    60   1.52500 -1.0 2.0
   58    57    59    67   1.52500 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60    62    64   3.62500 -1.0 2.0
   60    59    67    54   3.00000 -1.0 2.0
   60    59    67    66   3.00000 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    68   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    54   3.62500 -1.0 2.0
   64    66   -67    59   3.50000 -1.0 2.0
   64    66    68    69   0.00000  1.0 1.0
   64    66    68    70   0.00000  1.0 1.0
   64    66    68    71   0.18050 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   1.44450  1.0 1.0
   66    68    71    73   0.06600 -1.0 2.0
   66    68    71    73   0.29250  1.0 3.0
   67    54    55    56   3.62500 -1.0 2.0
   67    54   -55    57   3.62500 -1.0 2.0
   67    59    60    61   3.62500 -1.0 2.0
   67    59   -60    62   3.62500 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.18050 -1.0 2.0
   68    66    67    54   3.62500 -1.0 2.0
   68    66    67    59   3.62500 -1.0 2.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   44    39    43    49   1.00000 -1.0 2.0
   55    67    54    51   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   58    55    57    59   1.00000 -1.0 2.0
   60    67    59    57   4.00000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    68    66    64   4.00000 -1.0 2.0
   59    66    67    54   4.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
