* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    153    233     442
    1     0 S   NP   _N1_     1    28.10782    93.37730   -20.65804
    2     1 S   H    _HN1     2     1.02986    91.47119     4.34167
    3     1 S   H    _H1_     3     1.02837    32.37341   124.74155
    4     1 S   H    _H2_     4     1.02777    86.87035  -103.94577
    5     1 S   CT   _CA1     5     1.50149   142.93998   132.18264
    6     5 S   HC   _HA1     6     1.09567   105.30330    54.86376
    7     5 S   CO3  _C1_     7     1.53814   112.28125   -65.43417
    8     7 S   O2Z  _O11     8     1.26361   115.02333   -44.48327
    9     7 S   O2Z  _O12     9     1.26230   114.93375   134.70314
   10     5 S   CT   _CB1    10     1.53047   107.37049   172.81040
   11    10 S   HC   HB11    11     1.09827   109.48506   -51.00787
   12    10 S   HC   HB12    12     1.09688   110.17309    65.35667
   13    10 S   CT   _CG1    13     1.53022   112.88155  -172.18772
   14    13 S   HC   HG11    14     1.09585   110.56461   -60.77047
   15    13 S   HC   HG12    15     1.09633   109.96349    58.52745
   16    13 S   C    _CD1    16     1.51821   112.16804   179.11840
   17    16 S   O    _OE1    17     1.22729   123.14221    -0.35388
   18    16 S   N    _N2_    18     1.38555   111.77301   179.23051
   19    18 S   H    _HN2    19     1.01559   118.98036     5.50591
   20    18 S   CT1  _CA2    20     1.45873   123.00569   179.91607
   21    20 S   HC   _HA2    21     1.09511   108.60744    25.32660
   22    20 S   C    _C2_    22     1.52755   107.46813   -91.50318
   23    22 S   O    _O2_    23     1.22945   123.05276   -29.36606
   24    20 S   CT   _CB2    32     1.53233   112.03331   148.53457
   25    24 S   HC   HB21    33     1.09639   109.98801    53.32315
   26    24 S   HC   HB22    34     1.09556   111.58465   171.42586
   27    22 S   N    _N3_    24     1.38507   112.37318   153.45871
   28    27 S   H    _HN3    25     1.01665   120.31421    -3.10003
   29    24 S   S    _SG2    35     1.82527   112.20194   -65.91681
   30    27 S   CT   _CA3    26     1.45322   122.61224   178.58944
   31    30 S   HC   HA31    27     1.09564   107.83381   -55.14158
   32    30 S   HC   HA32    28     1.09557   107.61069    61.22218
   33    29 S   CT   _C20    36     1.82332    99.40716   -82.88460
   34    33 S   HC   _H3_    37     1.09459   107.58083   -80.18601
   35    33 S   HC   _H4_    38     1.09282   110.58685    35.88110
   36    30 S   CO3  _C3_    29     1.52916   114.23455  -177.12628
   37    36 S   O2Z  _O31    30     1.26347   116.06699    -2.02468
   38    36 S   O2Z  _O32    31     1.26435   114.41311   177.93920
   39    33 S   CM   _C4_    39     1.50118   110.23284   157.70971
   40    39 S   CMA  _C5_    40     1.35192   127.43585   108.54123
   41    40 S   OM   _O18    41     1.26284   128.02462     0.58081
   42    40 S   OS   _O20    42     1.42508   109.65213  -177.09755
   43    42 S   CT   _C14    43     1.43775   105.53373   -19.69608
   44    43 S   HC   _H36    44     1.09625   106.95783   -88.89811
   45    39 S   CT   _C12    45     1.50382   121.70427   -69.48217
   46    45 S   HC   _H34    46     1.09536   105.56973    80.63646
   47    43 S   C3T  _C15    62     1.49506   109.85697   149.43120
   48    47 S   HC   _H37    63     1.08228   113.09581   -83.33792
   49    45 S   CT   _C16    47     1.54890   117.05998   -40.81339
   50    49 S   HC   _H38    48     1.09579   108.10829    64.79614
   51    77 S   O3T  _O21    64     1.44019   116.15317  -165.12476
   52    49 S   CT   _C9_    49     1.55068   116.14462  -172.74742
   53    52 S   HC   _H28    50     1.09891   107.86438  -175.01799
   54    52 S   HC   _H29    51     1.09219   107.08525    74.03019
   55    49 S   OS   _O23    75     1.45422   107.57230   -52.99340
   56    52 S   CM   _C6_    52     1.51613   120.68951   -51.63965
   57    55 S   CO4  _C8_    76     1.36203   117.98662   148.54130
   58    57 S   O    _O19    77     1.22263   126.48754     1.32618
   59    56 S   CT   _C13    53     1.52500   117.54880   162.97997
   60    59 S   HC   _H35    54     1.09917   110.11355  -177.66644
   61    56 S   CM   _C7_    72     1.34456   123.44008   -21.47148
   62    61 S   HC   _H26    73     1.08593   121.37144  -177.93285
   63    61 S   HC   _H27    74     1.08330   122.55363    -0.39762
   64    57 S   CT   _C18    78     1.49800   109.45216  -178.50407
   65    64 S   HC   _H39    79     1.09288   109.83637   -60.87626
   66    64 S   HC   _H40    80     1.09378   109.36163  -179.95154
   67    64 S   HC   _H41    81     1.09295   109.79003    61.03142
   68    59 S   CT   _C10    55     1.54533   118.19980   -55.16337
   69    68 S   HC   _H30    56     1.09995   106.10447  -176.03439
   70    68 S   HC   _H31    57     1.09638   109.91960    72.27732
   71    59 S   OS   _O24    69     1.44223   108.23522    64.69206
   72    68 S   CT   _C11    58     1.53537   117.32118   -56.34957
   73    72 S   HC   _H32    59     1.09749   108.40008  -150.95326
   74    72 S   HC   _H33    60     1.09671   109.99162   -35.42797
   75    71 S   OH   _O22    70     1.45712   106.42713    78.80695
   76    75 S   HO   _H47    71     0.97300    95.75916  -100.86842
   77    72 S   C3T  _C17    61     1.50701   112.91062    90.02766
   78    77 S   CT   _C19    65     1.50533   117.23293    62.34696
   79    78 S   HC   _H42    66     1.09562   112.01119   159.56211
   80    78 S   HC   _H43    67     1.09521   110.38634    40.39386
   81    78 S   HC   _H44    68     1.09271   111.51815   -79.73315
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5  12   4
  11   6   9  12   5   4   7  11   5   4  14   7   4   1   1   3
   2   1   1   9   6   5   3   7   3   2   1   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    52    47    55  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    77    47    48    51  
   44    45    46    49    50    52    72    77    47    48    51    78    55  
   45    46    49    77    47    48    51  
   46    49    50    52    53    54    56    77    47    48    51    55    57  
   49    50    52    47    55  
   48    51    78    79    80    81    49    68    72    73    74    77  
   51    78    72    77  
   50    52    53    54    56    59    61    55    57    58    64  
   52    53    54    56    55    57  
   78    79    80    81    68    72    73    74    77  
   53    54    56    59    60    68    71    61    62    63    55    57  
   54    56    59    61    55  
   56    59    61    55  
   57    58    64    65    66    67    56  
   59    60    68    69    70    72    71    75    61    62    63  
   58    64    65    66    67  
   64    65    66    67  
   60    68    69    70    72    73    74    77    71    75    76    61    62    63  
   68    69    70    72    71    75    61  
   62    63    68    71  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    70    72    73    74    77    78    71    75  
   70    72    73    74    77    71  
   72    73    74    77    71  
   75    76    72  
   73    74    77    78    79    80    81  
   74    77    78  
   77    78  
   76  
    0  
   78    79    80    81  
   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  -0.335000   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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    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   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   275.000  1.510
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.510
   56    59   317.000  1.510
   56    61   549.000  1.340
   59    60   340.000  1.090
   59    68   268.000  1.529
   59    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   275.000  1.510
   77    47   260.000  1.509
   77    51   335.000  1.432
   77    78   275.000  1.510
   47    48   340.000  1.088
   47    51   335.000  1.432
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    75   295.000  1.451
   75    76   553.000  0.945
   61    62   340.000  1.080
   61    63   340.000  1.080
   55    57   214.000  1.327
   57    58   570.000  1.229
   57    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    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  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    77    60.00000  120.94000
   43    47    48    40.00000  115.04500
   43    47    51    80.00000  116.47100
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    58.35000  112.70000
   45    49    55    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    56    70.00000  112.02700
   49    55    57    83.00000  116.90000
   52    49    50    37.50000  110.70000
   52    56    59    65.00000  117.92700
   52    56    61    70.00000  124.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    59    60    35.00000  109.50000
   56    59    68    70.00000  112.02700
   56    59    71    85.00000  110.90400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   59    68    69    37.50000  110.70000
   59    68    70    37.50000  110.70000
   59    68    72    58.35000  112.70000
   59    71    75   125.00000  106.88800
   68    59    60    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    77    70.00000  112.37300
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    77    47    60.00000  120.94000
   72    77    51    80.00000  116.47100
   72    77    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    45.00000  109.38400
   77    72    74    45.00000  109.38400
   77    47    48    37.50000  117.20000
   77    47    51    15.00000   60.43100
   77    51    47    15.00000   59.14900
   77    78    79    45.00000  109.38400
   77    78    80    45.00000  109.38400
   77    78    81    45.00000  109.38400
   47    43    44    45.00000  109.38400
   47    43    45    70.00000  112.37300
   51    77    47    15.00000   60.43100
   51    47    48    50.00000  114.27700
   78    77    47    60.00000  120.94000
   78    77    51    80.00000  116.47100
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    59    60    35.00000  109.50000
   71    59    68    50.00000  109.50000
   71    75    76    90.00000  100.86400
   61    56    59    70.00000  124.00000
   63    61    62    35.00000  117.00000
   55    49    50    35.00000  109.50000
   55    49    52    50.00000  109.50000
   55    57    58    83.00000  123.40000
   55    57    64    81.00000  111.40000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   64    57    58    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    52   0.34400  1.0 1.0
   39    45    49    52   0.09450 -1.0 2.0
   39    45    49    52   0.11100  1.0 3.0
   39    45    49    55   0.61850  1.0 1.0
   39    45    49    55  -0.22750 -1.0 2.0
   39    45    49    55   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    77  -0.26800  1.0 1.0
   42    43    47    77   0.69150 -1.0 2.0
   42    43    47    77  -0.48750  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    51   1.11900  1.0 1.0
   42    43    47    51  -1.16350 -1.0 2.0
   42    43    47    51  -0.34150  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    52   0.56750  1.0 1.0
   43    45    49    52  -0.07550 -1.0 2.0
   43    45    49    52   0.20000  1.0 3.0
   43    45    49    55   0.62750  1.0 1.0
   43    45    49    55  -0.30950 -1.0 2.0
   43    45    49    55   0.27300  1.0 3.0
   43    47   -51    77   0.06250  1.0 1.0
   43    47   -51    77  -0.01100 -1.0 2.0
   43    47   -51    77   0.28050  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    77   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    77   0.07850  1.0 1.0
   45    43    47    77  -0.03950 -1.0 2.0
   45    43    47    77   0.67350  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    51   0.02550  1.0 1.0
   45    43    47    51  -0.02600 -1.0 2.0
   45    43    47    51   1.20400  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49    52    56   0.34400  1.0 1.0
   45    49    52    56   0.09450 -1.0 2.0
   45    49    52    56   0.11100  1.0 3.0
   45    49    55    57  -0.25900  1.0 1.0
   45    49    55    57  -0.47000 -1.0 2.0
   45    49    55    57   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   49    52    56    59   0.46850  1.0 1.0
   49    52    56    59   0.08550 -1.0 2.0
   49    52    56    59   0.09800  1.0 3.0
   49    52    56    61   0.09850  1.0 1.0
   49    52    56    61   0.15250 -1.0 2.0
   49    52    56    61  -0.50650  1.0 3.0
   49    55    57    58   3.00000 -1.0 2.0
   49    55    57    64   1.63150  1.0 1.0
   49    55    57    64   2.92000 -1.0 2.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   50    49    55    57   0.08050  1.0 3.0
   52    49    55    57  -0.25900  1.0 1.0
   52    49    55    57  -0.47000 -1.0 2.0
   52    49    55    57   0.11750  1.0 3.0
   52    56    59    60   0.34800  1.0 3.0
   52    56    59    68   0.46850  1.0 1.0
   52    56    59    68   0.08550 -1.0 2.0
   52    56    59    68   0.09800  1.0 3.0
   52    56    59    71   0.09700  1.0 1.0
   52    56    59    71   0.15600 -1.0 2.0
   52    56    59    71  -0.50800  1.0 3.0
   52    56    61    62   7.00000 -1.0 2.0
   52    56    61    63   7.00000 -1.0 2.0
   53    52    56    59   0.34800  1.0 3.0
   53    52    56    61   0.00000  1.0 1.0
   54    52    56    59   0.34800  1.0 3.0
   54    52    56    61   0.00000  1.0 1.0
   56    59    68    69   0.15000  1.0 3.0
   56    59    68    70   0.15000  1.0 3.0
   56    59    68    72   0.34400  1.0 1.0
   56    59    68    72   0.09450 -1.0 2.0
   56    59    68    72   0.11100  1.0 3.0
   56    59    71    75   0.37500  1.0 3.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   59    68    72    73   0.15000  1.0 3.0
   59    68    72    74   0.15000  1.0 3.0
   59    68    72    77   0.47050  1.0 1.0
   59    68    72    77   0.03900 -1.0 2.0
   59    68    72    77   0.20100  1.0 3.0
   59    71    75    76  -2.50000 -1.0 2.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    72   0.15000  1.0 3.0
   60    59    71    75   0.37500  1.0 3.0
   68    59    71    75   0.37500  1.0 3.0
   68    72    77    47   0.07850  1.0 1.0
   68    72    77    47  -0.03950 -1.0 2.0
   68    72    77    47   0.67350  1.0 3.0
   68    72    77    51   0.02550  1.0 1.0
   68    72    77    51  -0.02600 -1.0 2.0
   68    72    77    51   1.20400  1.0 3.0
   68    72    77    78   0.56750  1.0 1.0
   68    72    77    78  -0.07550 -1.0 2.0
   68    72    77    78   0.20000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    77   0.15000  1.0 3.0
   72    77    47    43   0.56750  1.0 1.0
   72    77    47    43  -0.07550 -1.0 2.0
   72    77    47    43   0.20000  1.0 3.0
   72    77    47    48   0.15000  1.0 3.0
   72    77   -47    51   0.02550  1.0 1.0
   72    77   -47    51  -0.02600 -1.0 2.0
   72    77   -47    51   1.20400  1.0 3.0
   72    77   -51    47   0.06250  1.0 1.0
   72    77   -51    47  -0.01100 -1.0 2.0
   72    77   -51    47   0.28050  1.0 3.0
   72    77    78    79   0.15000  1.0 3.0
   72    77    78    80   0.15000  1.0 3.0
   72    77    78    81   0.15000  1.0 3.0
   73    72    77    47   0.15000  1.0 3.0
   73    72    77    51   0.23400  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   74    72    77    47   0.15000  1.0 3.0
   74    72    77    51   0.23400  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.47050  1.0 1.0
   47    43    45    49   0.03900 -1.0 2.0
   47    43    45    49   0.20100  1.0 3.0
   47    77    78    79   0.15000  1.0 3.0
   47    77    78    80   0.15000  1.0 3.0
   47    77    78    81   0.15000  1.0 3.0
   48    47   -51    77   0.36800  1.0 3.0
   51    77   -47    43   0.02550  1.0 1.0
   51    77   -47    43  -0.02600 -1.0 2.0
   51    77   -47    43   1.20400  1.0 3.0
   51    77   -47    48   0.23400  1.0 3.0
   51    77    78    79   0.23400  1.0 3.0
   51    77    78    80   0.23400  1.0 3.0
   51    77    78    81   0.23400  1.0 3.0
   78    77    47    43   0.56750  1.0 1.0
   78    77    47    43  -0.07550 -1.0 2.0
   78    77    47    43   0.20000  1.0 3.0
   78    77    47    48   0.15000  1.0 3.0
   78    77   -47    51   0.02550  1.0 1.0
   78    77   -47    51  -0.02600 -1.0 2.0
   78    77   -47    51   1.20400  1.0 3.0
   78    77   -51    47   0.06250  1.0 1.0
   78    77   -51    47  -0.01100 -1.0 2.0
   78    77   -51    47   0.28050  1.0 3.0
   71    59    68    69   0.23400  1.0 3.0
   71    59    68    70   0.23400  1.0 3.0
   71    59    68    72   0.62750  1.0 1.0
   71    59    68    72  -0.30950 -1.0 2.0
   71    59    68    72   0.27300  1.0 3.0
   61    56    59    60   0.00000  1.0 1.0
   61    56    59    68   0.09850  1.0 1.0
   61    56    59    68   0.15250 -1.0 2.0
   61    56    59    68  -0.50650  1.0 3.0
   61    56    59    71   0.39000  1.0 1.0
   61    56    59    71  -0.05800 -1.0 2.0
   61    56    59    71  -0.55150  1.0 3.0
   55    49    52    53   0.23400  1.0 3.0
   55    49    52    54   0.23400  1.0 3.0
   55    49    52    56   0.61850  1.0 1.0
   55    49    52    56  -0.22750 -1.0 2.0
   55    49    52    56   0.15300  1.0 3.0
   55    57    64    65   0.00000  1.0 1.0
   55    57    64    66   0.00000  1.0 1.0
   55    57    64    67   0.00000  1.0 1.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    66   0.00000  1.0 1.0
   58    57    64    67   0.00000  1.0 1.0
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
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    59    56    61   1.10000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
   55    64    57    58  10.50000 -1.0 2.0
END
