* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    153    247     444
    1     0 S   NP   _N1_     1    28.60391    95.12789   -21.28112
    2     1 S   H    _HN1     2     1.02777    89.37741   -77.04920
    3     1 S   H    _H1_     3     1.02962    87.53782    31.33959
    4     1 S   H    _H2_     4     1.02836    33.45126   157.90376
    5     1 S   CT   _CA1     5     1.50127   144.13411   153.74371
    6     5 S   HC   _HA1     6     1.09567   105.24230    61.60905
    7     5 S   CO3  _C1_     7     1.53815   112.46060   -58.64817
    8     7 S   O2Z  _O11     8     1.26368   115.01777   -40.58271
    9     7 S   O2Z  _O12     9     1.26232   114.98790   138.77641
   10     5 S   CT   _CB1    10     1.53116   107.43159   179.65282
   11    10 S   HC   HB11    11     1.09820   109.44805   -49.46762
   12    10 S   HC   HB12    12     1.09826   110.32556    67.11657
   13    10 S   CT   _CG1    13     1.53009   112.70559  -170.55866
   14    13 S   HC   HG11    14     1.09593   110.38119   -62.16148
   15    13 S   HC   HG12    15     1.09637   110.07063    57.08217
   16    13 S   C    _CD1    16     1.51814   112.33027   177.51210
   17    16 S   O    _OE1    17     1.22712   123.26809    -5.11378
   18    16 S   N    _N2_    18     1.38614   111.58595   174.89186
   19    18 S   H    _HN2    19     1.01589   118.99345     1.95064
   20    18 S   CT1  _CA2    20     1.46283   123.47590  -177.02119
   21    20 S   HC   _HA2    21     1.09735   109.39490   -13.83248
   22    20 S   C    _C2_    22     1.53360   108.48772  -129.63188
   23    22 S   O    _O2_    23     1.23010   122.27978  -146.02581
   24    20 S   CT   _CB2    32     1.53405   111.05292   108.19891
   25    24 S   HC   HB21    33     1.09590   109.57517    54.05185
   26    24 S   HC   HB22    34     1.09454   110.67151   172.95049
   27    22 S   N    _N3_    24     1.38519   113.32994    41.44765
   28    27 S   H    _HN3    25     1.01526   118.91860    -0.60101
   29    24 S   S    _SG2    35     1.82881   111.35620   -67.30128
   30    27 S   CT   _CA3    26     1.45441   123.36925   174.91230
   31    30 S   HC   HA31    27     1.09528   109.16188    26.06025
   32    30 S   HC   HA32    28     1.09493   107.15025   143.06233
   33    29 S   CT   _C25    36     1.84658    99.87958   155.87928
   34    33 S   HC   _H4_    37     1.09781   103.02314   -52.78551
   35    30 S   CO3  _C3_    29     1.52932   113.12959   -97.35104
   36    35 S   O2Z  _O31    30     1.26401   115.41162   -44.41763
   37    35 S   O2Z  _O32    31     1.26356   114.98090   136.50846
   38    33 S   C5B  _C18    38     1.50294   113.05367    63.10968
   39    33 S   CT   _C6_    69     1.54344   113.71712  -167.05978
   40    39 S   HC   _H3_    70     1.10352   105.97302   160.75128
   41    38 S   C56B _C19    39     1.43416   126.85193  -131.46886
   42    38 S   C5A  _C17    51     1.38469   126.33756    49.49716
   43    39 S   CO4  _C5_    71     1.53145   111.68262    46.72535
   44    43 S   O    _O34    72     1.22437   125.48261  -117.05528
   45    41 S   CA   _C20    40     1.41122   134.19303     0.37949
   46    45 S   HA   _H14    41     1.08625   120.84539    -0.06256
   47    42 S   CM   _C16    52     1.41677   132.34460    -1.40862
   48    43 S   OS   _O33    73     1.36818   109.38259    62.94646
   49    45 S   CA   _C21    42     1.39954   119.47986   179.91607
   50    49 S   HA   _H15    43     1.08687   119.55183  -179.95154
   51    47 S   CM   _C15    53     1.34683   121.62323    55.57759
   52    51 S   HC   _H13    54     1.09028   117.31459  -178.72605
   53    48 S   CT   _C4_    74     1.43090   115.25819  -177.45378
   54    53 S   HC   _H5_    75     1.09322   108.10066   176.63774
   55    53 S   HC   _H6_    76     1.09423   110.28607    58.00100
   56    53 S   HC   _H7_    77     1.09396   110.18369   -64.59545
   57    47 S   CO4  _C26    78     1.49611   121.57757  -120.50081
   58    57 S   O    _O35    79     1.22314   124.38971  -163.74219
   59    49 S   CA   _C22    44     1.39243   120.71446     0.03956
   60    59 S   HA   _H16    45     1.08711   119.60073  -180.00000
   61    51 S   C5B  _C8_    55     1.43445   129.07713     7.53507
   62    57 S   OS   _O36    80     1.36145   109.90550    17.22257
   63    59 S   CA   _C23    46     1.39718   120.96099     0.03956
   64    63 S   HA   _H17    47     1.08497   120.90826   179.93744
   65    61 S   C56B _C9_    56     1.43841   121.77181   129.54977
   66    61 S   C5A  _C7_    68     1.39075   130.17463   -51.81865
   67    62 S   CT   _C27    81     1.43040   115.52623   178.11062
   68    67 S   HC   _H19    82     1.09327   108.07333  -179.14316
   69    67 S   HC   _H20    83     1.09412   110.25293    62.14668
   70    67 S   HC   _H21    84     1.09421   110.29893   -60.48787
   71    41 S   C56A _C24    48     1.39579   107.43934  -179.56840
   72    65 S   CA   _C10    57     1.41368   134.49449    -0.19979
   73    72 S   HA   _H8_    58     1.08647   120.79172     0.48819
   74    71 S   NA   _N5_    49     1.37514   107.19915     0.15826
   75    74 S   H    _H18    50     1.01096   124.41781  -179.89913
   76    72 S   CA   _C11    59     1.39971   119.59328  -179.48566
   77    76 S   HA   _H9_    60     1.08677   119.56842  -179.88465
   78    76 S   CA   _C12    61     1.39200   120.64247     0.18557
   79    78 S   HA   _H10    62     1.08702   119.63953   180.00000
   80    78 S   CA   _C13    63     1.39697   120.88654     0.06256
   81    80 S   HA   _H11    64     1.08493   120.93216   179.86012
   82    65 S   C56A _C14    65     1.38970   107.35711  -179.36449
   83    82 S   NA   _N4_    66     1.36945   106.77135    -0.22900
   84    83 S   H    _H12    67     1.01037   123.91898  -179.32160
  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
  16   7   2   1   1  16  14   6  12  12   9   3   8   4  12   5
   6   3  11   4   3   2   1   1   8   2   5   3   9   4   4   2
  11   5   3   2   1   1   2   8   4   1   1   6   3   5   3   4
   2   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    42    66    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    71    74    42    47    61    83    66    39    40    43    44    48  
   38    41    42    66    39    40    43  
   36    37  
   37  
    0  
   41    45    46    49    63    71    74    75    42    47    51    66    39    40    43    57  
   40    43    44    48    53    41    42    51    61    65    66    82    83    84  
   43    44    48    61    66    83  
   45    46    49    50    59    63    64    71    74    75    42    47  
   47    51    52    61    57    58    62    45    63    71    74    75  
   44    48    53    54    55    56    61    66    83  
   48    53    66  
   46    49    50    59    60    63    71    74  
   49    50    59    71  
   51    52    61    65    66    57    58    62    67    71    74    75  
   53    54    55    56    66  
   50    59    60    63    64    71  
   59    60    63  
   52    61    65    72    82    83    66    57    58    62    74  
   61    65    66    57  
   54    55    56  
   55    56  
   56  
    0  
   58    62    67    68    69    70    61    74  
   62    67  
   60    63    64    71    74  
   63    64    71  
   65    72    73    76    80    82    83    84    66  
   67    68    69    70  
   64    71    74    75  
   71    74  
   72    73    76    77    78    80    81    82    83    84    66  
   72    80    82    83    84  
   68    69    70  
   69    70  
   70  
    0  
   74    75  
   73    76    77    78    79    80    82    83  
   76    77    78    82  
   75  
    0  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83    84  
   82    83  
   83    84  
   84  
    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   0.163400   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   75   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   84   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   340.000  1.090
   33    38   295.000  1.494
   33    39   268.000  1.529
   38    41   380.000  1.440
   38    42   520.000  1.370
   41    45   469.000  1.404
   41    71   447.000  1.419
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   63    71   469.000  1.400
   71    74   428.000  1.380
   74    75   434.000  1.010
   74    42   427.000  1.381
   42    47   375.000  1.423
   47    51   549.000  1.340
   47    57   320.000  1.462
   51    52   340.000  1.080
   51    61   320.000  1.460
   61    65   380.000  1.440
   61    66   520.000  1.370
   65    72   469.000  1.404
   65    82   447.000  1.419
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   428.000  1.380
   83    84   434.000  1.010
   83    66   427.000  1.381
   66    39   295.000  1.489
   39    40   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   570.000  1.229
   57    62   214.000  1.327
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    55.00000  128.73000
   33    38    42    55.00000  127.77900
   33    39    66    70.00000  113.44400
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    45.00000  111.11700
   38    41    45    50.00000  134.85500
   38    41    71    80.00000  107.43600
   38    42    74    70.00000  106.30000
   38    42    47    55.00000  128.32000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   41    71    63    85.00000  122.70000
   41    71    74    70.00000  104.40000
   45    49    50    35.00000  120.00000
   45    49    59    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    59    60    35.00000  120.00000
   49    59    63    63.00000  120.00000
   59    49    50    35.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    71    85.00000  120.00000
   63    59    60    35.00000  120.00000
   63    71    74    70.00000  132.80000
   71    41    45    85.00000  116.20000
   71    63    64    35.00000  120.00000
   71    74    75    35.00000  123.10000
   71    74    42    90.00000  107.14200
   74    42    47    70.00000  120.38000
   42    38    41    80.00000  105.82900
   42    74    75    35.00000  120.00000
   42    47    51    55.00000  128.24000
   42    47    57    75.00000  114.44000
   47    51    52    35.00000  120.00000
   47    51    61    60.00000  123.20500
   47    57    58    80.00000  123.72100
   47    57    62    90.00000  111.29400
   51    61    65    60.00000  120.93500
   51    61    66    60.00000  120.93500
   61    51    52    40.00000  117.26300
   61    65    72    50.00000  134.85500
   61    65    82    80.00000  107.43600
   61    66    83    70.00000  106.30000
   61    66    39    55.00000  130.44200
   65    72    73    35.00000  120.00000
   65    72    76    63.00000  120.00000
   65    82    80    85.00000  122.70000
   65    82    83    70.00000  104.40000
   72    76    77    35.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    85.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    70.00000  132.80000
   82    65    72    85.00000  116.20000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  123.10000
   82    83    66    90.00000  107.14200
   83    66    39    65.00000  122.56900
   66    61    65    80.00000  105.82900
   66    83    84    35.00000  120.00000
   66    39    40    45.00000  110.47400
   66    39    43    75.00000  110.95000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.62400
   39    43    44    80.00000  120.40000
   39    43    48    81.00000  111.40000
   43    39    40    35.00000  109.50000
   43    48    53    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    47    51    65.00000  118.96000
   57    62    67    83.00000  116.90000
   62    57    58    83.00000  123.40000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  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    45   3.62500 -1.0 2.0
   33    38    41    71   3.62500 -1.0 2.0
   33    38    42    74   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    48   0.36750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    66   0.43200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   38    33    39    66  -0.94300  1.0 1.0
   38    33    39    66   1.32550 -1.0 2.0
   38    33    39    66  -0.07100  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   38    41    71    63   3.00000 -1.0 2.0
   38    41   -71    74   3.00000 -1.0 2.0
   38    42    47    51   0.15800  1.0 1.0
   38    42    47    51   1.85350 -1.0 2.0
   38    42    47    51  -0.48700  1.0 3.0
   38    42    47    57  -0.01750  1.0 1.0
   38    42    47    57  -0.32000 -1.0 2.0
   38    42    47    57   0.00600  1.0 3.0
   41    38   -42    74   3.62500 -1.0 2.0
   41    38    42    47   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    59   3.62500 -1.0 2.0
   41    71    74    75   1.52500 -1.0 2.0
   41    71   -74    42   3.62500 -1.0 2.0
   45    41    71    63   3.00000 -1.0 2.0
   45    41    71    74   3.00000 -1.0 2.0
   45    49    59    60   3.62500 -1.0 2.0
   45    49   -59    63   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    59   3.62500 -1.0 2.0
   49    59    63    64   3.62500 -1.0 2.0
   49    59    63    71   3.62500 -1.0 2.0
   50    49    59    60   3.62500 -1.0 2.0
   50    49    59    63   3.62500 -1.0 2.0
   59    63   -71    41   3.62500 -1.0 2.0
   59    63    71    74   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   60    59    63    71   3.62500 -1.0 2.0
   63    71    74    75   1.52500 -1.0 2.0
   63    71    74    42   3.62500 -1.0 2.0
   64    63    71    41   3.62500 -1.0 2.0
   64    63    71    74   3.62500 -1.0 2.0
   71    41    45    46   3.50000 -1.0 2.0
   71    41   -45    49   3.50000 -1.0 2.0
   71    74   -42    38   3.62500 -1.0 2.0
   71    74    42    47   3.62500 -1.0 2.0
   74    42    47    51   0.11450  1.0 1.0
   74    42    47    51   1.85100 -1.0 2.0
   74    42    47    51  -0.49050  1.0 3.0
   74    42    47    57  -0.01750  1.0 1.0
   74    42    47    57  -0.32000 -1.0 2.0
   74    42    47    57   0.00600  1.0 3.0
   75    74    42    38   1.40000 -1.0 2.0
   75    74    42    47   2.00000 -1.0 2.0
   42    38    41    45   3.62500 -1.0 2.0
   42    38   -41    71   3.50000 -1.0 2.0
   42    47    51    52   7.00000 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    57    58  -0.52200  1.0 1.0
   42    47    57    58   0.82950 -1.0 2.0
   42    47    57    62   1.50000 -1.0 2.0
   47    51    61    65   0.15800  1.0 1.0
   47    51    61    65   1.85350 -1.0 2.0
   47    51    61    65  -0.48700  1.0 3.0
   47    51    61    66   0.15800  1.0 1.0
   47    51    61    66   1.85350 -1.0 2.0
   47    51    61    66  -0.48700  1.0 3.0
   47    57    62    67   2.00000 -1.0 2.0
   51    47    57    58   1.00000 -1.0 2.0
   51    47    57    62  -0.56150  1.0 1.0
   51    47    57    62   2.19150 -1.0 2.0
   51    61    65    72   3.62500 -1.0 2.0
   51    61    65    82   3.62500 -1.0 2.0
   51    61    66    83   3.62500 -1.0 2.0
   51    61    66    39   3.62500 -1.0 2.0
   52    51    61    65   0.56550  1.0 3.0
   52    51    61    66   0.56550  1.0 3.0
   61    65    72    73   3.62500 -1.0 2.0
   61    65    72    76   3.62500 -1.0 2.0
   61    65    82    80   3.00000 -1.0 2.0
   61    65   -82    83   3.00000 -1.0 2.0
   61    66    39    33   0.04150 -1.0 2.0
   61    66    39    40   0.00000  1.0 1.0
   61    66    39    43   0.04300 -1.0 2.0
   65    61   -66    83   3.62500 -1.0 2.0
   65    61    66    39   3.62500 -1.0 2.0
   65    72    76    77   3.62500 -1.0 2.0
   65    72    76    78   3.62500 -1.0 2.0
   65    82    83    84   1.52500 -1.0 2.0
   65    82   -83    66   3.62500 -1.0 2.0
   72    65    82    80   3.00000 -1.0 2.0
   72    65    82    83   3.00000 -1.0 2.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76   -78    80   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -82    65   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    83    84   1.52500 -1.0 2.0
   80    82    83    66   3.62500 -1.0 2.0
   81    80    82    65   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    65    72    73   3.50000 -1.0 2.0
   82    65   -72    76   3.50000 -1.0 2.0
   82    83   -66    61   3.62500 -1.0 2.0
   82    83    66    39   3.62500 -1.0 2.0
   83    66    39    33   0.39850  1.0 1.0
   83    66    39    33   0.06450 -1.0 2.0
   83    66    39    33   0.32400  1.0 3.0
   83    66    39    40   0.00000  1.0 1.0
   83    66    39    43   0.04300 -1.0 2.0
   84    83    66    61   1.40000 -1.0 2.0
   84    83    66    39   2.00000 -1.0 2.0
   66    61    65    72   3.62500 -1.0 2.0
   66    61   -65    82   3.50000 -1.0 2.0
   66    39    43    44   0.30150 -1.0 2.0
   66    39    43    48   0.40000  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    43    48    53   1.63150  1.0 1.0
   39    43    48    53   2.92000 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    48   0.00000  1.0 1.0
   43    48    53    54   0.08050  1.0 3.0
   43    48    53    55   0.08050  1.0 3.0
   43    48    53    56   0.08050  1.0 3.0
   44    43    48    53   3.00000 -1.0 2.0
   57    47    51    52   7.00000 -1.0 2.0
   57    47    51    61   7.00000 -1.0 2.0
   57    62    67    68   0.08050  1.0 3.0
   57    62    67    69   0.08050  1.0 3.0
   57    62    67    70   0.08050  1.0 3.0
   58    57    62    67   3.00000 -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
   41    42    38    33   4.00000 -1.0 2.0
   45    71    41    38   4.00000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   59    50    49    45   1.10000 -1.0 2.0
   63    60    59    49   1.10000 -1.0 2.0
   71    64    63    59   1.10000 -1.0 2.0
   63    74    71    41   4.00000 -1.0 2.0
   75    71    74    42   1.00000 -1.0 2.0
   74    47    42    38   4.00000 -1.0 2.0
   42    57    47    51   1.10000 -1.0 2.0
   61    52    51    47   1.10000 -1.0 2.0
   65    66    61    51   4.00000 -1.0 2.0
   72    82    65    61   4.00000 -1.0 2.0
   76    73    72    65   1.10000 -1.0 2.0
   78    77    76    72   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    65   4.00000 -1.0 2.0
   84    82    83    66   1.00000 -1.0 2.0
   83    39    66    61   4.00000 -1.0 2.0
   39    48    43    44  10.50000 -1.0 2.0
   47    62    57    58  10.50000 -1.0 2.0
END
