* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    150    247     448
    1     0 S   NP   _N1_     1    30.95618    91.94746   -17.46981
    2     1 S   H    _HN1     2     1.02779   107.46300   -17.69950
    3     1 S   H    _H1_     3     1.03273   133.58038   119.49742
    4     1 S   H    _H2_     4     1.02851    31.64706    78.31772
    5     1 S   CT   _CA1     5     1.50611    82.65572  -128.49594
    6     5 S   HC   _HA1     6     1.09656   105.19192    49.89700
    7     5 S   CO3  _C1_     7     1.54232   110.77499   -67.42940
    8     7 S   O2Z  _O11     8     1.26151   116.29166   -96.33430
    9     7 S   O2Z  _O12     9     1.26466   114.05951    81.98399
   10     5 S   CT   _CB1    10     1.52724   106.32256   165.83051
   11    10 S   HC   HB11    11     1.09882   109.60335   -53.79801
   12    10 S   HC   HB12    12     1.09317   109.35412    61.36962
   13    10 S   CT   _CG1    13     1.52989   114.25112  -175.47044
   14    13 S   HC   HG11    14     1.09469   112.12235   -53.21803
   15    13 S   HC   HG12    15     1.09542   110.62606    66.70058
   16    13 S   C    _CD1    16     1.51535   109.05460  -173.47277
   17    16 S   O    _OE1    17     1.22781   121.87044  -104.03060
   18    16 S   N    _N2_    18     1.38593   112.51565    73.72413
   19    18 S   H    _HN2    19     1.01648   119.07371     6.76283
   20    18 S   CT1  _CA2    20     1.46107   123.48744  -170.23549
   21    20 S   HC   _HA2    21     1.09738   109.08661    -0.17017
   22    20 S   C    _C2_    22     1.53393   109.86549  -116.31112
   23    22 S   O    _O2_    23     1.23075   121.93228  -151.68715
   24    20 S   CT   _CB2    32     1.53846   111.06741   120.90677
   25    24 S   HC   HB21    33     1.09371   109.57923    61.82413
   26    24 S   HC   HB22    34     1.09440   109.53983  -179.87489
   27    22 S   N    _N3_    24     1.38414   113.82696    36.04899
   28    27 S   H    _HN3    25     1.01485   118.94593    -0.83463
   29    24 S   S    _SG2    35     1.83509   111.21540   -60.19910
   30    27 S   CT   _CA3    26     1.45424   123.28307   175.19890
   31    30 S   HC   HA31    27     1.09539   109.01102    28.48402
   32    30 S   HC   HA32    28     1.09491   107.16427   145.43076
   33    29 S   CT   _C20    36     1.86414   102.32176   162.56199
   34    33 S   OM   _O38    37     1.32628   107.38536  -177.71261
   35    30 S   CO3  _C3_    29     1.52935   113.34626   -94.85163
   36    35 S   O2Z  _O31    30     1.26387   115.52261   -42.40372
   37    35 S   O2Z  _O32    31     1.26378   114.93031   138.61059
   38    33 S   CM   _C21    38     1.52817   111.82718   -60.00514
   39    33 S   CT   _C19    69     1.55513   108.93552    64.65958
   40    39 S   HC   _H4_    70     1.09305   110.21949   -41.98600
   41    38 S   CMA  _C23    39     1.36599   125.53634   133.78769
   42    41 S   OM   _O37    40     1.27139   128.68875   171.18441
   43    39 S   NP   _N5_    71     1.50081   110.10771    72.36542
   44    43 S   H    _H15    72     1.02850   109.71320    65.34822
   45    43 S   H    _H16    73     1.02817   109.61725   -51.46517
   46    43 S   H    _H17    74     1.02553   113.27036  -172.13576
   47    38 S   C    _C22    77     1.51777   117.75408   -48.29298
   48    47 S   O    _O36    78     1.22798   123.25733   -54.24880
   49    41 S   CT   _C16    41     1.59099   119.92793    -4.96302
   50    47 S   N    _N4_    79     1.37741   113.50212   122.71534
   51    50 S   H    _H13    80     1.01492   121.58685     5.90973
   52    50 S   H    _H14    81     1.01589   121.05967  -177.83535
   53    49 S   CMA  _C15    42     1.59653   116.17379  -100.56044
   54    53 S   OM   _O35    43     1.26653   112.20301   -35.73373
   55    49 S   OH   _O39    75     1.45343   108.62386   140.57597
   56    55 S   HO   _H18    76     0.97468   104.83062    43.79974
   57    53 S   CM   _C7_    44     1.36513   119.15705   145.56808
   58    57 S   CM   _C6_    45     1.45933   125.24209    -1.00949
   59    58 S   CM   _C5_    46     1.35422   121.58043  -164.36088
   60    58 S   CT   _C18    64     1.50691   114.46763    14.94218
   61    60 S   HC   _H11    65     1.09747   109.16637    75.75741
   62    60 S   HC   _H12    66     1.09424   112.66842  -167.37007
   63    59 S   CA   _C10    47     1.49946   119.59797     8.76002
   64    59 S   CT   _C4_    60     1.50706   120.93626  -168.01102
   65    64 S   HC   _H5_    61     1.09376   111.28313   -92.68941
   66    64 S   HC   _H6_    62     1.09561   111.85197    27.81962
   67    64 S   HC   _H7_    63     1.09516   111.45754   144.07622
   68    49 S   CT   _C17    67     1.55756   110.26427    26.57327
   69    68 S   HC   _H3_    68     1.10020   108.81737    65.86253
   70    63 S   CA   _C9_    48     1.41541   118.07645   -23.41312
   71    57 S   CO4  _C8_    49     1.50313   119.31362   174.47944
   72    71 S   O    _O34    50     1.22488   124.13432   -31.27432
   73    70 S   CA   _C14    51     1.40763   121.36079  -174.88297
   74    73 S   CA   _C13    52     1.38697   120.53717    -2.01305
   75    74 S   HA   _H9_    53     1.08637   120.67894  -179.50032
   76    73 S   OH   _O33    58     1.36935   123.67415   179.17718
   77    76 S   HO   _H10    59     0.97427   108.96314    -2.28841
   78    74 S   CA   _C12    54     1.38715   119.32469    -1.64711
   79    78 S   HA   _H8_    55     1.08815   118.58321  -177.01482
   80    63 S   CA   _C11    56     1.41622   125.40511   156.49979
   81    80 S   Cl   Cl1_    57     1.73455   124.21083    -9.47708
  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
  17   7   2   1   1  14  16   8  13   5   7   3   2   1   5   3
  12   2   1   1  12   5   5   1  12  15  15   7   3   2  14   5
   2   1   1   1   1  10   5   1   7   7   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    68    39    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    60    68    69    39    40    43    44    45    46    47    48    50  
   38    41    68    39    40    43    47  
   36    37  
   37  
    0  
   41    42    49    53    68    39    40    43    55    47    48    50    51    52  
   40    43    44    45    46    55    47    41    49    53    58    60    61    62    68    69  
   43    44    45    46    49    60    68    69  
   42    49    53    54    57    60    68    69    55    56    47    48    50  
   49    53    68    55    47  
   44    45    46    49    60    68    69  
   45    46    68  
   46    68  
   68  
   48    50    51    52    49  
   50    51    52  
   53    54    57    58    71    60    61    62    68    69    55    56  
   51    52  
   52  
    0  
   54    57    58    59    70    71    72    60    68    69    55    56  
   57    58    71    68    55  
   56    57    60    68    69  
   68  
   58    59    63    70    71    72    73    64    60    61    62    68  
   59    63    70    71    72    80    64    65    66    67    60    61    62    68    69  
   63    70    71    73    78    80    81    64    65    66    67    60    61    62    68  
   61    62    68    69    63    64    71  
   62    68    69  
   68    69  
   70    71    72    73    74    78    79    80    81    76    64    65    66    67  
   65    66    67    70    80  
   66    67  
   67  
    0  
   69  
    0  
   71    72    73    74    75    78    80    81    76    77  
   72    73    74    80    76  
   73  
   74    75    78    79    80    76    77  
   75    78    79    80    81    76    77  
   78    79    80    76  
   77    78  
    0  
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    39   268.000  1.529
   38    41   465.000  1.376
   38    47   410.000  1.444
   41    42   745.000  1.250
   41    49   270.000  1.512
   49    53   270.000  1.512
   49    68   268.000  1.529
   49    55   320.000  1.410
   53    54   745.000  1.250
   53    57   465.000  1.376
   57    58   380.000  1.444
   57    71   320.000  1.462
   58    59   549.000  1.340
   58    60   317.000  1.510
   59    63   320.000  1.460
   59    64   317.000  1.510
   63    70   469.000  1.400
   63    80   469.000  1.400
   70    71   310.000  1.470
   70    73   469.000  1.400
   71    72   570.000  1.229
   73    74   469.000  1.400
   73    76   450.000  1.364
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   300.000  1.725
   76    77   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    45   434.000  1.010
   43    46   434.000  1.010
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
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    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    47    70.00000  119.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    49    65.00000  122.18000
   38    47    48    80.00000  125.30000
   38    47    50    80.00000  111.56200
   41    49    53    70.00000  110.12100
   41    49    68    70.00000  112.02700
   41    49    55    90.00000  110.39200
   49    41    42    85.00000  112.85300
   49    53    54    85.00000  112.85300
   49    53    57    65.00000  122.18000
   49    68    60    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    39    58.35000  112.70000
   49    55    56    55.00000  108.50000
   53    57    58    70.00000  117.34000
   53    57    71    60.00000  125.92000
   57    53    54    65.00000  137.10300
   57    58    59    70.00000  123.01800
   57    58    60    70.00000  124.00000
   57    71    70    65.00000  117.02400
   57    71    72    80.00000  123.72100
   58    59    63    60.00000  123.20500
   58    59    64    70.00000  124.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    68    70.00000  112.02700
   59    63    70    60.00000  120.93500
   59    63    80    60.00000  120.93500
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   63    70    71    60.00000  119.52600
   63    70    73    63.00000  120.00000
   63    80    78    63.00000  120.00000
   63    80    81    75.00000  120.00000
   70    71    72    75.00000  123.78400
   70    73    74    63.00000  120.00000
   70    73    76    70.00000  120.00000
   71    57    58    65.00000  118.96000
   73    70    71    60.00000  119.52600
   73    74    75    35.00000  120.00000
   73    74    78    63.00000  120.00000
   73    76    77    35.00000  113.00000
   74    78    79    35.00000  120.00000
   74    78    80    63.00000  120.00000
   78    74    75    35.00000  120.00000
   78    80    81    75.00000  120.00000
   80    63    70    63.00000  120.00000
   80    78    79    35.00000  120.00000
   76    73    74    70.00000  120.00000
   64    59    63    65.00000  118.87000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   60    58    59    70.00000  124.00000
   60    68    69    37.50000  110.70000
   60    68    39    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    49    53    70.00000  112.02700
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    68    69    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    46    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    35.00000  109.50000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   55    49    53    90.00000  110.39200
   55    49    68    50.00000  109.50000
   47    38    41    60.00000  120.04000
   47    50    51    35.00000  119.80000
   47    50    52    35.00000  119.80000
   50    47    48    80.00000  122.90000
   52    50    51    35.00000  120.00000
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    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    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    47   0.09700  1.0 1.0
   29    33    38    47   0.15600 -1.0 2.0
   29    33    38    47  -0.50800  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    38    47    48  -0.64400  1.0 1.0
   33    38    47    48   0.26850 -1.0 2.0
   33    38    47    50   1.59650  1.0 1.0
   33    38    47    50   0.42750 -1.0 2.0
   33    38    47    50  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    45   0.17350  1.0 3.0
   33    39    43    46   0.17350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    47   0.09700  1.0 1.0
   34    33    38    47   0.15600 -1.0 2.0
   34    33    38    47  -0.50800  1.0 3.0
   34    33    39    68   0.62750  1.0 1.0
   34    33    39    68  -0.30950 -1.0 2.0
   34    33    39    68   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    68   0.34400  1.0 1.0
   38    33    39    68   0.09450 -1.0 2.0
   38    33    39    68   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    49    53  -0.28300  1.0 1.0
   38    41    49    53   0.26700 -1.0 2.0
   38    41    49    53  -0.63300  1.0 3.0
   38    41   -49    68   0.09850  1.0 1.0
   38    41   -49    68   0.15250 -1.0 2.0
   38    41   -49    68  -0.50650  1.0 3.0
   38    41    49    55   0.67800  1.0 1.0
   38    41    49    55   0.47050 -1.0 2.0
   38    41    49    55  -0.62500  1.0 3.0
   38    47    50    51   2.56700 -1.0 2.0
   38    47    50    52   2.56700 -1.0 2.0
   41    38    47    48   1.00000 -1.0 2.0
   41    38    47    50   0.49500  1.0 1.0
   41    38    47    50   1.31600 -1.0 2.0
   41    38    47    50  -0.02300  1.0 3.0
   41    49    53    54   0.09700  1.0 1.0
   41    49    53    54   0.15600 -1.0 2.0
   41    49    53    54  -0.50800  1.0 3.0
   41    49    53    57  -0.28300  1.0 1.0
   41    49    53    57   0.26700 -1.0 2.0
   41    49    53    57  -0.63300  1.0 3.0
   41    49    68    60   0.34400  1.0 1.0
   41    49    68    60   0.09450 -1.0 2.0
   41    49    68    60   0.11100  1.0 3.0
   41    49    68    69   0.15000  1.0 3.0
   41    49    68    39   0.34400  1.0 1.0
   41    49    68    39   0.09450 -1.0 2.0
   41    49    68    39   0.11100  1.0 3.0
   41    49    55    56  -0.07800  1.0 1.0
   41    49    55    56  -0.21500 -1.0 2.0
   41    49    55    56  -0.03150  1.0 3.0
   42    41    49    53   0.09700  1.0 1.0
   42    41    49    53   0.15600 -1.0 2.0
   42    41    49    53  -0.50800  1.0 3.0
   42    41    49    68   0.09700  1.0 1.0
   42    41    49    68   0.15600 -1.0 2.0
   42    41    49    68  -0.50800  1.0 3.0
   42    41    49    55   0.09700  1.0 1.0
   42    41    49    55   0.15600 -1.0 2.0
   42    41    49    55  -0.50800  1.0 3.0
   49    53    57    58   7.00000 -1.0 2.0
   49    53    57    71   7.00000 -1.0 2.0
   49    68   -39    33   0.56750  1.0 1.0
   49    68   -39    33  -0.07550 -1.0 2.0
   49    68   -39    33   0.20000  1.0 3.0
   49    68    39    40   0.15000  1.0 3.0
   49    68    39    43   1.36600  1.0 1.0
   49    68    39    43  -0.11450 -1.0 2.0
   49    68    39    43   0.24250  1.0 3.0
   53    49    68    60   0.34400  1.0 1.0
   53    49    68    60   0.09450 -1.0 2.0
   53    49    68    60   0.11100  1.0 3.0
   53    49    68    69   0.15000  1.0 3.0
   53    49    68    39   0.34400  1.0 1.0
   53    49    68    39   0.09450 -1.0 2.0
   53    49    68    39   0.11100  1.0 3.0
   53    49    55    56  -0.07800  1.0 1.0
   53    49    55    56  -0.21500 -1.0 2.0
   53    49    55    56  -0.03150  1.0 3.0
   53    57    58    59   0.28850  1.0 1.0
   53    57    58    59   2.61350 -1.0 2.0
   53    57    58    59   0.78400  1.0 3.0
   53    57   -58    60  -0.18600  1.0 3.0
   53    57    71    70  -1.65800  1.0 1.0
   53    57    71    70   0.77650 -1.0 2.0
   53    57    71    72   1.00000 -1.0 2.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    71   7.00000 -1.0 2.0
   57    58    59    63   7.00000 -1.0 2.0
   57    58    59    64   7.00000 -1.0 2.0
   57    58    60    61   0.00000  1.0 1.0
   57    58    60    62   0.00000  1.0 1.0
   57    58    60    68   0.98200  1.0 1.0
   57    58    60    68  -0.11900 -1.0 2.0
   57    58    60    68   0.24250  1.0 3.0
   58    57    71    70  -1.65800  1.0 1.0
   58    57    71    70   0.77650 -1.0 2.0
   58    57    71    72   1.00000 -1.0 2.0
   58    59   -63    70   0.15800  1.0 1.0
   58    59   -63    70   1.85350 -1.0 2.0
   58    59   -63    70  -0.48700  1.0 3.0
   58    59    63    80   0.15800  1.0 1.0
   58    59    63    80   1.85350 -1.0 2.0
   58    59    63    80  -0.48700  1.0 3.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    67   0.00000  1.0 1.0
   58    60   -68    49   0.34400  1.0 1.0
   58    60   -68    49   0.09450 -1.0 2.0
   58    60   -68    49   0.11100  1.0 3.0
   58    60    68    69   0.15000  1.0 3.0
   58    60    68    39   0.34400  1.0 1.0
   58    60    68    39   0.09450 -1.0 2.0
   58    60    68    39   0.11100  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    68   0.09850  1.0 1.0
   59    58    60    68   0.15250 -1.0 2.0
   59    58    60    68  -0.50650  1.0 3.0
   59    63    70    71   3.62500 -1.0 2.0
   59    63    70    73   3.62500 -1.0 2.0
   59    63    80    78   3.62500 -1.0 2.0
   59    63    80    81   3.62500 -1.0 2.0
   63    59    64    65   0.77000  1.0 3.0
   63    59    64    66   0.77000  1.0 3.0
   63    59    64    67   0.77000  1.0 3.0
   63    70   -71    57  -0.11500  1.0 1.0
   63    70   -71    57   1.10450 -1.0 2.0
   63    70   -71    57  -0.48050  1.0 3.0
   63    70    71    72   1.05000 -1.0 2.0
   63    70    73    74   3.62500 -1.0 2.0
   63    70    73    76   3.62500 -1.0 2.0
   70    63    80    78   3.62500 -1.0 2.0
   70    63    80    81   3.62500 -1.0 2.0
   70    73    74    75   3.62500 -1.0 2.0
   70    73   -74    78   3.62500 -1.0 2.0
   70    73    76    77   0.84100 -1.0 2.0
   71    57   -58    59  -0.18600  1.0 3.0
   71    57    58    60   1.08500 -1.0 2.0
   71    70    73    74   3.62500 -1.0 2.0
   71    70    73    76   3.62500 -1.0 2.0
   73    70    71    57  -0.11500  1.0 1.0
   73    70    71    57   1.10450 -1.0 2.0
   73    70    71    57  -0.48050  1.0 3.0
   73    70    71    72   1.05000 -1.0 2.0
   73    74    78    79   3.62500 -1.0 2.0
   73    74    78    80   3.62500 -1.0 2.0
   74    73    76    77   0.84100 -1.0 2.0
   74    78   -80    63   3.62500 -1.0 2.0
   74    78    80    81   3.62500 -1.0 2.0
   75    74    78    79   3.62500 -1.0 2.0
   75    74    78    80   3.62500 -1.0 2.0
   79    78    80    63   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    63    70    71   3.62500 -1.0 2.0
   80    63   -70    73   3.62500 -1.0 2.0
   76    73    74    75   3.62500 -1.0 2.0
   76    73    74    78   3.62500 -1.0 2.0
   64    59    63    70  -0.02500  1.0 1.0
   64    59    63    70  -0.32150 -1.0 2.0
   64    59    63    70  -0.01500  1.0 3.0
   64    59    63    80  -0.02500  1.0 1.0
   64    59    63    80  -0.32150 -1.0 2.0
   64    59    63    80  -0.01500  1.0 3.0
   60    58    59    63   7.00000 -1.0 2.0
   60    58    59    64   7.00000 -1.0 2.0
   60    68    39    33   0.56750  1.0 1.0
   60    68    39    33  -0.07550 -1.0 2.0
   60    68    39    33   0.20000  1.0 3.0
   60    68    39    40   0.15000  1.0 3.0
   60    68    39    43   1.36600  1.0 1.0
   60    68    39    43  -0.11450 -1.0 2.0
   60    68    39    43   0.24250  1.0 3.0
   61    60    68    49   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    39   0.15000  1.0 3.0
   62    60    68    49   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    39   0.15000  1.0 3.0
   68    49    53    54   0.09700  1.0 1.0
   68    49    53    54   0.15600 -1.0 2.0
   68    49    53    54  -0.50800  1.0 3.0
   68    49   -53    57   0.09850  1.0 1.0
   68    49   -53    57   0.15250 -1.0 2.0
   68    49   -53    57  -0.50650  1.0 3.0
   68    49    55    56  -0.11600  1.0 1.0
   68    49    55    56  -0.09450 -1.0 2.0
   68    49    55    56   0.21250  1.0 3.0
   68    39    43    44   0.17350  1.0 3.0
   68    39    43    45   0.17350  1.0 3.0
   68    39    43    46   0.17350  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    40   0.15000  1.0 3.0
   69    68    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    47   0.09700  1.0 1.0
   39    33    38    47   0.15600 -1.0 2.0
   39    33    38    47  -0.50800  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    45   0.13050  1.0 3.0
   40    39    43    46   0.13050  1.0 3.0
   55    49    53    54   0.09700  1.0 1.0
   55    49    53    54   0.15600 -1.0 2.0
   55    49    53    54  -0.50800  1.0 3.0
   55    49    53    57   0.67800  1.0 1.0
   55    49    53    57   0.47050 -1.0 2.0
   55    49    53    57  -0.62500  1.0 3.0
   55    49    68    60   0.86500  1.0 1.0
   55    49    68    60  -0.17500 -1.0 2.0
   55    49    68    60   0.20800  1.0 3.0
   55    49    68    69   0.23400  1.0 3.0
   55    49    68    39   0.86500  1.0 1.0
   55    49    68    39  -0.17500 -1.0 2.0
   55    49    68    39   0.20800  1.0 3.0
   47    38    41    42   7.00000 -1.0 2.0
   47    38    41    49   7.00000 -1.0 2.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    52   2.45000 -1.0 2.0
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    47    38    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   49    54    53    57   1.10000 -1.0 2.0
   58    71    57    53   1.10000 -1.0 2.0
   57    60    58    59   1.10000 -1.0 2.0
   63    64    59    58   1.10000 -1.0 2.0
   70    80    63    59   4.00000 -1.0 2.0
   71    73    70    63   4.00000 -1.0 2.0
   57    70    71    72  10.50000 -1.0 2.0
   74    76    73    70   4.00000 -1.0 2.0
   78    75    74    73   1.10000 -1.0 2.0
   80    79    78    74   1.10000 -1.0 2.0
   78    81    80    63   4.00000 -1.0 2.0
   38    50    47    48  10.50000 -1.0 2.0
   52    47    50    51   1.00000 -1.0 2.0
END
