* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    159    245     461
    1     0 S   NP   _N1_     1    29.01338    92.46197   -22.63553
    2     1 S   H    _HN1     2     1.02762   100.35486   -74.66401
    3     1 S   H    _H1_     3     1.03208    96.20411    34.71965
    4     1 S   H    _H2_     4     1.02806    16.55107   166.35453
    5     1 S   CT   _CA1     5     1.50115   127.31381   156.76794
    6     5 S   HC   _HA1     6     1.09573   105.23262    64.33662
    7     5 S   CO3  _C1_     7     1.53779   112.48566   -55.80902
    8     7 S   O2Z  _O11     8     1.26328   115.13602   -44.04418
    9     7 S   O2Z  _O12     9     1.26270   114.85344   135.16150
   10     5 S   CT   _CB1    10     1.53020   107.36528  -177.81995
   11    10 S   HC   HB11    11     1.09806   109.35092   -50.97460
   12    10 S   HC   HB12    12     1.09589   110.08743    65.57604
   13    10 S   CT   _CG1    13     1.52945   113.12570  -172.80865
   14    13 S   HC   HG11    14     1.09590   110.23126   -62.95094
   15    13 S   HC   HG12    15     1.09621   110.23560    56.27324
   16    13 S   C    _CD1    16     1.51884   112.04740   176.27248
   17    16 S   O    _OE1    17     1.22725   123.18947   -14.55820
   18    16 S   N    _N2_    18     1.38576   111.84256   166.79746
   19    18 S   H    _HN2    19     1.01574   119.09397     0.88470
   20    18 S   CT1  _CA2    20     1.46112   123.31094   179.69739
   21    20 S   HC   _HA2    21     1.09593   109.35429    -6.58850
   22    20 S   C    _C2_    22     1.53451   108.50564  -121.70367
   23    22 S   O    _O2_    23     1.23023   122.19944  -145.98909
   24    20 S   CT   _CB2    32     1.53323   111.53387   115.85969
   25    24 S   HC   HB21    33     1.09650   109.70093    57.71006
   26    24 S   HC   HB22    34     1.09558   111.13275   175.25769
   27    22 S   N    _N3_    24     1.38500   113.41806    41.56752
   28    27 S   H    _HN3    25     1.01510   118.92605    -0.90331
   29    24 S   S    _SG2    35     1.82825   114.20846   -62.19829
   30    27 S   CT   _CA3    26     1.45442   123.50985   174.57028
   31    30 S   HC   HA31    27     1.09517   109.30865    23.36973
   32    30 S   HC   HA32    28     1.09495   107.12231   140.42500
   33    29 S   CT   _C22    36     1.82246    99.53979   -70.39038
   34    33 S   HC   _H3_    37     1.09293   108.98385    66.91997
   35    33 S   HC   _H4_    38     1.09577   109.48323   -49.19625
   36    30 S   CO3  _C3_    29     1.52934   113.00514  -100.12076
   37    36 S   O2Z  _O31    30     1.26411   115.38593   -44.61849
   38    36 S   O2Z  _O32    31     1.26349   114.99151   136.26763
   39    33 S   CM   _C9_    39     1.51898   110.39070  -169.74639
   40    39 S   CMA  _C10    40     1.36553   123.50747   -99.42893
   41    40 S   OM   _O20    41     1.26864   125.44231  -179.27719
   42    39 S   CT   _C21    80     1.51685   113.35765    83.14935
   43    42 S   HC   _H44    81     1.09473   110.46546   -62.07468
   44    42 S   HC   _H45    82     1.09537   109.97636    57.51912
   45    42 S   HC   _H46    83     1.09392   113.60584   177.52354
   46    40 S   OS   _O26    42     1.41935   111.50044     3.61395
   47    46 S   CT   _C18    43     1.45459   116.71961  -136.88791
   48    47 S   HC   _H42    44     1.09401   110.81428   -32.69833
   49    47 S   CT   _C14    45     1.55308   103.63648    87.57063
   50    49 S   HC   _H37    46     1.09854   108.51350   -42.50415
   51    49 S   HC   _H38    47     1.09877   107.98786    69.43787
   52    47 S   CT   _C16    62     1.56127   106.12796  -150.47600
   53    52 S   HC   _H40    63     1.09945   108.14431   -70.64871
   54    49 S   C3T  _C20    48     1.51288   119.75179  -163.72582
   55    52 S   CM   _C6_    64     1.51006   119.10823    49.77107
   56    54 S   C3T  _C17    49     1.53901   116.98883  -123.40110
   57    56 S   HC   _H41    50     1.08307   119.06878     6.73132
   58    55 S   CO4  _C7_    65     1.48113   107.78827   157.41359
   59    58 S   O    _O21    66     1.21778   127.47848   160.98583
   60    55 S   CM   _C8_    68     1.33651   133.84975   -20.20141
   61    60 S   HC   _H29    69     1.08135   122.78895    -1.50948
   62    60 S   HC   _H30    70     1.08614   121.51286   178.79309
   63    54 S   CO   _C19    75     1.51848   119.22685    43.55474
   64    63 S   HC   _H43    76     1.09588   111.58576   162.68753
   65    56 S   CT   _C13    51     1.49844   121.34471   155.09748
   66    65 S   HC   _H35    52     1.09630   109.26432   160.17562
   67    65 S   HC   _H36    53     1.09538   111.51007    43.40682
   68    81 S   OS   _O22    67     1.44256   106.54207   129.61805
   69    63 S   OH   _O25    77     1.42668   108.54558    46.13481
   70    69 S   HO   _H49    78     0.97127   106.93989   158.51177
   71    54 S   O3T  _O24    79     1.45534   112.31441   174.08470
   72    65 S   CT   _C11    54     1.53836   110.83708   -79.53801
   73    72 S   HC   _H31    55     1.09784   108.69400   -77.66091
   74    72 S   HC   _H32    56     1.09595   110.47403   166.28302
   75    72 S   CM   _C5_    57     1.51329   110.64762    43.50680
   76    75 S   CM   _C4_    58     1.34835   119.42534  -100.41990
   77    76 S   HC   _H28    59     1.08905   118.70559    -6.70926
   78    75 S   CT   _C12    71     1.50849   115.98952    68.99961
   79    78 S   HC   _H33    72     1.09606   112.32596     7.34160
   80    78 S   HC   _H34    73     1.09588   109.07584   124.90146
   81    76 S   CT   _C15    60     1.49546   125.80808   168.40052
   82    81 S   HC   _H39    61     1.09633   111.87821    14.13817
   83    78 S   OS   _O23    74     1.42891   111.54079  -116.26952
  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   8  10   3   4   2   1   1  10  17   8
  15   6   5  14   7  13   9  13   6   8   3   4   1   1  10   5
   9   6   5   5   4   1   2  10   4   3   8   7   3   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    81    52    53    55  
   48    49    50    51    54    56    76    81    82    52    53    55    58    68    60    63    71  
   49    50    51    54    81    52    53    55  
   50    51    54    56    57    65    81    52    53    55    83    63    64    69    71  
   51    54    56    52    63    71  
   54    56    52    63    71  
   53    55    58    59    68    60    61    62    54    75    76    77    81    82  
   55    58    68    60    76    81    82  
   56    57    65    66    67    72    78    83    63    64    69    70    71  
   58    59    68    60    61    62    76    81    82  
   57    65    66    67    72    73    74    75    83    63    64    69    71  
   65    66    67    72    63    71  
   59    68    60    61    62    76    81    82  
   68    60    81  
   61    62    68    81  
   62  
    0  
   64    69    70    71    65    75    78    79    80    83  
   69    70    71    78    83  
   66    67    72    73    74    75    76    78    71  
   67    72    73    74    75    71  
   72    73    74    75    71  
   75    76    77    81    82  
   70    71    78    83  
   83  
   72    83  
   73    74    75    76    77    81    78    79    80    83  
   74    75    76    78  
   75    76    78  
   76    77    81    82    78    79    80    83  
   77    81    82    78    79    80    83  
   81    82    78  
   79    80    83    81  
   80    83  
   83  
   82  
    0  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   275.000  1.510
   54    56   260.000  1.509
   54    63   275.000  1.510
   54    71   335.000  1.432
   56    57   340.000  1.088
   56    65   275.000  1.510
   56    71   335.000  1.432
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    81   317.000  1.510
   81    82   340.000  1.090
   81    52   268.000  1.529
   81    68   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    68   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   320.000  1.410
   83    63   320.000  1.380
   63    64   340.000  1.090
   63    69   380.000  1.407
   69    70   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    42    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    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.37300
   47    52    81    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    60.00000  120.94000
   49    54    63    75.00000  109.43000
   49    54    71    80.00000  116.47100
   51    49    50    33.00000  107.80000
   54    49    50    45.00000  109.38400
   54    49    51    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    65    60.00000  120.94000
   54    56    71    15.00000   60.43100
   54    63    83    90.00000  108.56700
   54    63    64    45.00000  112.01100
   54    63    69    90.00000  110.19100
   54    71    56    15.00000   59.14900
   56    65    66    45.00000  109.38400
   56    65    67    45.00000  109.38400
   56    65    72    70.00000  112.37300
   65    56    57    40.00000  115.04500
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    70.00000  112.02700
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    75    76    70.00000  124.00000
   72    75    78    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    76    77    35.00000  120.00000
   75    76    81    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    83    85.00000  110.90400
   76    81    82    35.00000  109.50000
   76    81    52    70.00000  112.02700
   76    81    68    85.00000  110.90400
   81    76    77    35.00000  117.00000
   81    52    53    37.50000  110.70000
   81    52    55    70.00000  112.02700
   81    68    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    81    82    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    68    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   68    81    82    35.00000  109.50000
   68    81    52    50.00000  109.50000
   68    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   78    75    76    70.00000  124.00000
   78    83    63    60.00000  109.50000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    63    64    35.00000  109.50000
   83    63    69   110.00000  112.08000
   63    54    56    60.00000  120.94000
   63    69    70    70.00000  107.92000
   69    63    64    60.00000  108.02500
   71    54    56    15.00000   60.43100
   71    54    63    80.00000  116.47100
   71    56    57    50.00000  114.27700
   71    56    65    80.00000  116.47100
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54  -0.26800  1.0 1.0
   46    47    49    54   0.69150 -1.0 2.0
   46    47    49    54  -0.48750  1.0 3.0
   46    47    52    81   0.62750  1.0 1.0
   46    47    52    81  -0.30950 -1.0 2.0
   46    47    52    81   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.07850  1.0 1.0
   47    49    54    56  -0.03950 -1.0 2.0
   47    49    54    56   0.67350  1.0 3.0
   47    49    54    63   3.97050  1.0 1.0
   47    49    54    71   0.02550  1.0 1.0
   47    49    54    71  -0.02600 -1.0 2.0
   47    49    54    71   1.20400  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    81   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    81   0.56750  1.0 1.0
   49    47    52    81  -0.07550 -1.0 2.0
   49    47    52    81   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   0.15000  1.0 3.0
   49    54    56    65   0.56750  1.0 1.0
   49    54    56    65  -0.07550 -1.0 2.0
   49    54    56    65   0.20000  1.0 3.0
   49    54   -56    71   0.02550  1.0 1.0
   49    54   -56    71  -0.02600 -1.0 2.0
   49    54   -56    71   1.20400  1.0 3.0
   49    54    63    83   0.62750  1.0 1.0
   49    54    63    83  -0.30950 -1.0 2.0
   49    54    63    83   0.27300  1.0 3.0
   49    54    63    64   0.15000  1.0 3.0
   49    54    63    69   0.86500  1.0 1.0
   49    54    63    69  -0.17500 -1.0 2.0
   49    54    63    69   0.20800  1.0 3.0
   49    54   -71    56   0.06250  1.0 1.0
   49    54   -71    56  -0.01100 -1.0 2.0
   49    54   -71    56   0.28050  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    63   0.15000  1.0 3.0
   50    49    54    71   0.23400  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    63   0.15000  1.0 3.0
   51    49    54    71   0.23400  1.0 3.0
   54    56    65    66   0.15000  1.0 3.0
   54    56    65    67   0.15000  1.0 3.0
   54    56    65    72   0.07850  1.0 1.0
   54    56    65    72  -0.03950 -1.0 2.0
   54    56    65    72   0.67350  1.0 3.0
   54    63    69    70  -0.11600  1.0 1.0
   54    63    69    70  -0.09450 -1.0 2.0
   54    63    69    70   0.21250  1.0 3.0
   56    54    63    83  -0.26800  1.0 1.0
   56    54    63    83   0.69150 -1.0 2.0
   56    54    63    83  -0.48750  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    69   0.86500  1.0 1.0
   56    54    63    69  -0.17500 -1.0 2.0
   56    54    63    69   0.20800  1.0 3.0
   56    65    72    73   0.15000  1.0 3.0
   56    65    72    74   0.15000  1.0 3.0
   56    65    72    75   0.34400  1.0 1.0
   56    65    72    75   0.09450 -1.0 2.0
   56    65    72    75   0.11100  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    72   0.15000  1.0 3.0
   57    56   -71    54   0.36800  1.0 3.0
   65    56   -71    54   0.06250  1.0 1.0
   65    56   -71    54  -0.01100 -1.0 2.0
   65    56   -71    54   0.28050  1.0 3.0
   65    72    75    76   0.09850  1.0 1.0
   65    72    75    76   0.15250 -1.0 2.0
   65    72    75    76  -0.50650  1.0 3.0
   65    72    75    78   0.46850  1.0 1.0
   65    72    75    78   0.08550 -1.0 2.0
   65    72    75    78   0.09800  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    75   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    75   0.15000  1.0 3.0
   72    75    76    77   7.00000 -1.0 2.0
   72    75    76    81   7.00000 -1.0 2.0
   72    75    78    79   0.34800  1.0 3.0
   72    75    78    80   0.34800  1.0 3.0
   72    75    78    83   0.09700  1.0 1.0
   72    75    78    83   0.15600 -1.0 2.0
   72    75    78    83  -0.50800  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    78   0.34800  1.0 3.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    78   0.34800  1.0 3.0
   75    76    81    82   0.00000  1.0 1.0
   75    76    81    52   0.09850  1.0 1.0
   75    76    81    52   0.15250 -1.0 2.0
   75    76    81    52  -0.50650  1.0 3.0
   75    76    81    68   0.39000  1.0 1.0
   75    76    81    68  -0.05800 -1.0 2.0
   75    76    81    68  -0.55150  1.0 3.0
   75    78    83    63  -0.77900  1.0 1.0
   75    78    83    63  -0.36900 -1.0 2.0
   75    78    83    63   0.40400  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    83   0.39000  1.0 1.0
   76    75    78    83  -0.05800 -1.0 2.0
   76    75    78    83  -0.55150  1.0 3.0
   76    81    52    47   0.34400  1.0 1.0
   76    81    52    47   0.09450 -1.0 2.0
   76    81    52    47   0.11100  1.0 3.0
   76    81    52    53   0.15000  1.0 3.0
   76    81    52    55   0.31000  1.0 1.0
   76    81    52    55   0.14700 -1.0 2.0
   76    81    52    55   0.07550  1.0 3.0
   76    81    68    58  -0.82050  1.0 1.0
   76    81    68    58   0.00600 -1.0 2.0
   76    81    68    58   0.04400  1.0 3.0
   77    76    81    82   0.33100  1.0 3.0
   77    76    81    52   0.00000  1.0 1.0
   77    76    81    68   0.00000  1.0 1.0
   81    52   -55    58   0.09700  1.0 1.0
   81    52   -55    58   0.15600 -1.0 2.0
   81    52   -55    58  -0.50800  1.0 3.0
   81    52    55    60   0.09850  1.0 1.0
   81    52    55    60   0.15250 -1.0 2.0
   81    52    55    60  -0.50650  1.0 3.0
   82    81    52    47   0.15000  1.0 3.0
   82    81    52    53   0.15000  1.0 3.0
   82    81    52    55   0.15000  1.0 3.0
   82    81    68    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.47050  1.0 1.0
   52    47    49    54   0.03900 -1.0 2.0
   52    47    49    54   0.20100  1.0 3.0
   52    81   -68    58  -0.25900  1.0 1.0
   52    81   -68    58  -0.47000 -1.0 2.0
   52    81   -68    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    68  -0.15000  1.0 1.0
   52    55   -58    68   0.89550 -1.0 2.0
   52    55   -58    68  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -68    81   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    68    81   3.00000 -1.0 2.0
   68    81    52    47   0.62750  1.0 1.0
   68    81    52    47  -0.30950 -1.0 2.0
   68    81    52    47   0.27300  1.0 3.0
   68    81    52    53   0.23400  1.0 3.0
   68    81   -52    55   0.61850  1.0 1.0
   68    81   -52    55  -0.22750 -1.0 2.0
   68    81   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    68  -0.56150  1.0 1.0
   60    55    58    68   2.19150 -1.0 2.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    81   7.00000 -1.0 2.0
   78    83    63    54   0.06250  1.0 1.0
   78    83    63    54  -0.01100 -1.0 2.0
   78    83    63    54   0.28050  1.0 3.0
   78    83    63    64   0.37050  1.0 3.0
   78    83    63    69  -0.70900  1.0 1.0
   78    83    63    69  -1.18000 -1.0 2.0
   78    83    63    69   0.91650  1.0 3.0
   79    78    83    63   0.37050  1.0 3.0
   80    78    83    63   0.37050  1.0 3.0
   83    63    69    70  -0.50000  1.0 1.0
   83    63    69    70  -0.73950 -1.0 2.0
   83    63    69    70   0.17150  1.0 3.0
   63    54    56    57   0.15000  1.0 3.0
   63    54    56    65   3.97050  1.0 1.0
   63    54   -56    71   0.02550  1.0 1.0
   63    54   -56    71  -0.02600 -1.0 2.0
   63    54   -56    71   1.20400  1.0 3.0
   63    54   -71    56   0.06250  1.0 1.0
   63    54   -71    56  -0.01100 -1.0 2.0
   63    54   -71    56   0.28050  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   71    54   -56    57   0.23400  1.0 3.0
   71    54   -56    65   0.02550  1.0 1.0
   71    54   -56    65  -0.02600 -1.0 2.0
   71    54   -56    65   1.20400  1.0 3.0
   71    54    63    83   1.11900  1.0 1.0
   71    54    63    83  -1.16350 -1.0 2.0
   71    54    63    83  -0.34150  1.0 3.0
   71    54    63    64   0.23400  1.0 3.0
   71    54    63    69   3.69350  1.0 1.0
   71    54    63    69  -1.82950 -1.0 2.0
   71    56    65    66   0.23400  1.0 3.0
   71    56    65    67   0.23400  1.0 3.0
   71    56    65    72   0.02550  1.0 1.0
   71    56    65    72  -0.02600 -1.0 2.0
   71    56    65    72   1.20400  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   72    78    75    76   1.10000 -1.0 2.0
   81    77    76    75   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    68    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
