* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     459
    1     0 S   NP   _N1_     1    28.79961    96.75009   -22.66624
    2     1 S   H    _HN1     2     1.02783   100.58011   -85.97594
    3     1 S   H    _H1_     3     1.02956    76.55912    20.47700
    4     1 S   H    _H2_     4     1.02834    35.97613   168.11111
    5     1 S   CT   _CA1     5     1.50107   141.14563   126.48659
    6     5 S   HC   _HA1     6     1.09589   105.20916    83.93481
    7     5 S   CO3  _C1_     7     1.53749   112.24052   -36.07115
    8     7 S   O2Z  _O11     8     1.26336   115.07578   -49.24306
    9     7 S   O2Z  _O12     9     1.26234   114.87394   129.74454
   10     5 S   CT   _CB1    10     1.53076   107.37235  -158.46534
   11    10 S   HC   HB11    11     1.09821   109.17873   -52.74956
   12    10 S   HC   HB12    12     1.09815   110.52218    63.75075
   13    10 S   CT   _CG1    13     1.52967   112.64235  -173.94404
   14    13 S   HC   HG11    14     1.09604   110.22449   -65.10029
   15    13 S   HC   HG12    15     1.09649   110.09057    54.04567
   16    13 S   C    _CD1    16     1.51853   112.33172   174.30656
   17    16 S   O    _OE1    17     1.22722   123.29540    -4.53311
   18    16 S   N    _N2_    18     1.38546   111.62521   175.90155
   19    18 S   H    _HN2    19     1.01764   118.84923    -0.47230
   20    18 S   CT1  _CA2    20     1.46153   123.67187  -179.29003
   21    20 S   HC   _HA2    21     1.09721   109.38340    -4.43438
   22    20 S   C    _C2_    22     1.53432   108.59277  -120.33193
   23    22 S   O    _O2_    23     1.23043   122.09637  -146.34353
   24    20 S   CT   _CB2    32     1.53449   111.39727   117.47846
   25    24 S   HC   HB21    33     1.09509   109.76636    58.70115
   26    24 S   HC   HB22    34     1.09477   110.22765   177.46936
   27    22 S   N    _N3_    24     1.38458   113.55229    41.00209
   28    27 S   H    _HN3    25     1.01511   118.91717    -0.94564
   29    24 S   S    _SG2    35     1.82680   111.56022   -62.51292
   30    27 S   CT   _CA3    26     1.45457   123.57839   175.27930
   31    30 S   HC   HA31    27     1.09513   109.39785    21.25498
   32    30 S   HC   HA32    28     1.09501   107.08204   138.25768
   33    29 S   CT   _C24    36     1.83985   100.08577   161.81818
   34    33 S   HC   _H3_    37     1.09646   106.89968   -44.79984
   35    30 S   CO3  _C3_    29     1.52912   112.99900  -102.34852
   36    35 S   O2Z  _O31    30     1.26412   115.35318   -46.23149
   37    35 S   O2Z  _O32    31     1.26350   115.02437   134.68480
   38    33 S   CT   _C22    38     1.52866   109.83256    72.35175
   39    38 S   HC   _H48    39     1.09506   112.28406    57.47411
   40    38 S   HC   _H49    40     1.09501   111.46826   -63.79838
   41    38 S   HC   _H50    41     1.09569   110.40894   177.66980
   42    33 S   CT   _C23    42     1.54727   112.24045  -162.69687
   43    42 S   HC   _H51    43     1.09993   108.15688  -176.60927
   44    42 S   CO4  _C14    44     1.52332   110.42515    67.78673
   45    44 S   O    _O24    45     1.22339   124.92691   -98.95161
   46    42 S   CT   _C21    83     1.53092   115.78887   -58.26963
   47    46 S   HC   _H45    84     1.09442   112.47242    63.49635
   48    46 S   HC   _H46    85     1.09394   111.38432   -58.39938
   49    46 S   HC   _H47    86     1.09634   110.16580  -177.52686
   50    44 S   OS   _O27    46     1.36483   109.32987    80.89608
   51    50 S   CT   _C15    47     1.44341   117.32091   178.31391
   52    51 S   HC   _H34    48     1.09753   110.06889   -28.89805
   53    51 S   CA   _C7_    49     1.51045   110.55340  -146.41716
   54    53 S   CA   _C8_    50     1.40072   120.10493  -139.38509
   55    54 S   CA   _C5_    51     1.40008   120.58395   179.62991
   56    55 S   HA   _H31    52     1.08747   120.06120  -178.94687
   57    54 S   OS   _O26    64     1.36995   124.37625     0.03426
   58    55 S   CA   _C4_    53     1.39526   120.59569     1.71338
   59    58 S   HA   _H30    54     1.08711   119.18436   179.68102
   60    57 S   CT   _C17    65     1.44143   117.63410   -10.98005
   61    58 S   CA   _C6_    55     1.39377   119.84895     0.43296
   62    51 S   CT   _C16    66     1.53628   108.66999    91.93418
   63    62 S   HC   _H35    67     1.09715   108.79774   -70.14458
   64    60 S   CT   _C19    75     1.53862   108.66924   -84.59395
   65    64 S   HC   _H39    76     1.09640   110.70492   -59.43825
   66    64 S   HC   _H40    77     1.09410   111.33412   179.92598
   67    64 S   HC   _H41    78     1.09449   112.25268    58.26687
   68    60 S   CT   _C20    79     1.53755   105.27436   159.93069
   69    68 S   HC   _H42    80     1.09657   110.82435    62.11775
   70    68 S   HC   _H43    81     1.09544   111.46768   -55.17505
   71    68 S   HC   _H44    82     1.09434   111.62851  -177.12519
   72    53 S   CA   _C9_    56     1.40565   122.25044    43.65240
   73    62 S   OS   _O28    68     1.45558   107.42563    48.32359
   74    72 S   OS   _O25    57     1.41579   118.47660     0.55918
   75    73 S   CO4  _C13    69     1.36055   118.61684  -134.04038
   76    75 S   O    _O23    70     1.22262   126.62908    -2.32288
   77    74 S   CO4  _C12    58     1.38916   122.69505  -178.95227
   78    77 S   O    _O22    59     1.22566   122.14442   178.99751
   79    75 S   CT   _C18    71     1.49799   109.45892   177.87588
   80    79 S   HC   _H36    72     1.09296   109.80038   -60.44167
   81    79 S   HC   _H37    73     1.09386   109.33213  -179.36727
   82    79 S   HC   _H38    74     1.09280   109.83610    61.51056
   83    77 S   CM   _C11    60     1.47238   116.50893    -1.06036
   84    83 S   HC   _H33    61     1.08421   117.21044  -179.78602
   85    61 S   CM   _C10    62     1.45420   121.67382   178.99322
   86    85 S   HC   _H32    63     1.08465   118.97093     0.64498
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  15   7  14  12   8   4  14   7   3  12   7  14   4   8
   3   2   1   4   2   1   1   6   6   5   5   4   5   3   3   2
   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    62    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    72    60    62    63    73  
   52    53    54    55    61    72    74    57    60    62    63    73    75    64    68  
   53    54    72    60    62    63    73  
   54    55    56    58    61    72    74    77    85    57    60    62    63    73  
   55    56    58    59    61    72    74    57    60    62    64    68  
   56    58    59    61    72    85    57    60  
   58    59    61    57  
   60    62    63    73    64    65    66    67    68    69    70    71    58    72  
   59    61    72    74    83    85    86  
   61    72    85  
   62    63    73    75    64    65    66    67    68    69    70    71  
   72    74    77    83    84    85    86  
   63    73    75    76    79    64    65    66    67    68    69    70    71    72  
   73    75    64    68  
   65    66    67    68    69    70    71    73  
   66    67    68  
   67    68  
   68  
   69    70    71    73  
   70    71  
   71  
    0  
   74    77    78    83    85    86  
   75    76    79    80    81    82  
   77    78    83    84    85  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    86  
   83    84    85  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.107500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    62   268.000  1.529
   53    54   469.000  1.400
   53    72   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    72   469.000  1.400
   61    85   320.000  1.460
   72    74   450.000  1.364
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   57    60   320.000  1.410
   60    62   268.000  1.529
   60    64   268.000  1.529
   60    68   268.000  1.529
   62    63   340.000  1.090
   62    73   320.000  1.410
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    62    50.00000  109.50000
   51    53    54    70.00000  120.00000
   51    53    72    70.00000  120.00000
   51    62    60    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    73    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    57    70.00000  120.00000
   53    72    61    63.00000  120.00000
   53    72    74    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   55    58    61    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    72    63.00000  120.00000
   58    61    85    60.00000  120.93500
   61    58    59    35.00000  120.00000
   61    72    74    70.00000  120.00000
   61    85    83    60.00000  123.20500
   61    85    86    40.00000  117.26300
   72    53    54    63.00000  120.00000
   72    74    77    85.00000  115.98000
   74    77    78    83.00000  123.40000
   74    77    83    90.00000  111.29400
   77    83    84    40.00000  117.72500
   77    83    85    65.00000  118.96000
   83    77    78    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    61    72    60.00000  120.93500
   85    83    84    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    62    50.00000  109.50000
   57    60    64    50.00000  109.50000
   57    60    68    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    73    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   62    51    52    37.50000  110.70000
   62    51    53    70.00000  112.17500
   62    73    75    83.00000  116.90000
   73    62    63    35.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   79    75    76    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   64    60    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    62    58.35000  112.70000
   68    60    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    62  -0.25900  1.0 1.0
   44    50    51    62  -0.47000 -1.0 2.0
   44    50    51    62   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.64500  1.0 1.0
   50    51    53    54   0.14800 -1.0 2.0
   50    51    53    54   0.20650  1.0 3.0
   50    51    53    72   0.64500  1.0 1.0
   50    51    53    72   0.14800 -1.0 2.0
   50    51    53    72   0.20650  1.0 3.0
   50    51    62    60   0.62750  1.0 1.0
   50    51    62    60  -0.30950 -1.0 2.0
   50    51    62    60   0.27300  1.0 3.0
   50    51    62    63   0.23400  1.0 3.0
   50    51    62    73   1.11900  1.0 1.0
   50    51    62    73  -1.16350 -1.0 2.0
   50    51    62    73  -0.34150  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    72    61   3.62500 -1.0 2.0
   51    53    72    74   3.62500 -1.0 2.0
   51    62    73    75  -0.25900  1.0 1.0
   51    62    73    75  -0.47000 -1.0 2.0
   51    62    73    75   0.11750  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    72   0.00000  1.0 1.0
   52    51    62    60   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    73   0.23400  1.0 3.0
   53    51    62    60  -0.03700  1.0 1.0
   53    51    62    60   0.37200 -1.0 2.0
   53    51    62    60  -0.47300  1.0 3.0
   53    51    62    63   0.43200  1.0 3.0
   53    51    62    73  -0.64350  1.0 1.0
   53    51    62    73  -0.04200 -1.0 2.0
   53    51    62    73   0.19800  1.0 3.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54   -57    60   1.63200 -1.0 2.0
   53    72    74    77   0.01300  1.0 1.0
   53    72    74    77   0.97950 -1.0 2.0
   53    72    74    77  -0.55700  1.0 3.0
   54    53    72    61   3.62500 -1.0 2.0
   54    53    72    74   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55   -58    61   3.62500 -1.0 2.0
   54    57    60    62  -0.32850  1.0 1.0
   54    57    60    62  -0.35800 -1.0 2.0
   54    57    60    62   0.33950  1.0 3.0
   54    57    60    64  -0.32850  1.0 1.0
   54    57    60    64  -0.35800 -1.0 2.0
   54    57    60    64   0.33950  1.0 3.0
   54    57    60    68  -0.32850  1.0 1.0
   54    57    60    68  -0.35800 -1.0 2.0
   54    57    60    68   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   55    58    61    72   3.62500 -1.0 2.0
   55    58    61    85   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    61   -72    53   3.62500 -1.0 2.0
   58    61    72    74   3.62500 -1.0 2.0
   58    61    85    83   0.15800  1.0 1.0
   58    61    85    83   1.85350 -1.0 2.0
   58    61    85    83  -0.48700  1.0 3.0
   58    61    85    86   0.56550  1.0 3.0
   59    58    61    72   3.62500 -1.0 2.0
   59    58    61    85   3.62500 -1.0 2.0
   61    72    74    77   0.01300  1.0 1.0
   61    72    74    77   0.97950 -1.0 2.0
   61    72    74    77  -0.55700  1.0 3.0
   72    53   -54    55   3.62500 -1.0 2.0
   72    53    54    57   3.62500 -1.0 2.0
   72    61    85    83   0.15800  1.0 1.0
   72    61    85    83   1.85350 -1.0 2.0
   72    61    85    83  -0.48700  1.0 3.0
   72    61    85    86   0.56550  1.0 3.0
   72    74    77    78   3.00000 -1.0 2.0
   72    74   -77    83   2.00000 -1.0 2.0
   74    77    83    84   1.63100 -1.0 2.0
   74    77    83    85  -0.56150  1.0 1.0
   74    77    83    85   2.19150 -1.0 2.0
   77    83   -85    61   7.00000 -1.0 2.0
   77    83    85    86   7.00000 -1.0 2.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   1.00000 -1.0 2.0
   84    83    85    61   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    61    72    53   3.62500 -1.0 2.0
   85    61   -72    74   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60   -62    51   0.62750  1.0 1.0
   57    60   -62    51  -0.30950 -1.0 2.0
   57    60   -62    51   0.27300  1.0 3.0
   57    60    62    63   0.23400  1.0 3.0
   57    60    62    73   1.11900  1.0 1.0
   57    60    62    73  -1.16350 -1.0 2.0
   57    60    62    73  -0.34150  1.0 3.0
   57    60    64    65   0.23400  1.0 3.0
   57    60    64    66   0.23400  1.0 3.0
   57    60    64    67   0.23400  1.0 3.0
   57    60    68    69   0.23400  1.0 3.0
   57    60    68    70   0.23400  1.0 3.0
   57    60    68    71   0.23400  1.0 3.0
   60    62    73    75  -0.25900  1.0 1.0
   60    62    73    75  -0.47000 -1.0 2.0
   60    62    73    75   0.11750  1.0 3.0
   62    51   -53    54   0.04150 -1.0 2.0
   62    51    53    72   0.04150 -1.0 2.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    71   0.15000  1.0 3.0
   62    73    75    76   3.00000 -1.0 2.0
   62    73    75    79   1.63150  1.0 1.0
   62    73    75    79   2.92000 -1.0 2.0
   63    62    73    75   0.08050  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   64    60    62    51   0.56750  1.0 1.0
   64    60    62    51  -0.07550 -1.0 2.0
   64    60    62    51   0.20000  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    73   0.62750  1.0 1.0
   64    60    62    73  -0.30950 -1.0 2.0
   64    60    62    73   0.27300  1.0 3.0
   64    60    68    69   0.15000  1.0 3.0
   64    60    68    70   0.15000  1.0 3.0
   64    60    68    71   0.15000  1.0 3.0
   68    60    62    51   0.56750  1.0 1.0
   68    60    62    51  -0.07550 -1.0 2.0
   68    60    62    51   0.20000  1.0 3.0
   68    60    62    63   0.15000  1.0 3.0
   68    60    62    73   0.62750  1.0 1.0
   68    60    62    73  -0.30950 -1.0 2.0
   68    60    62    73   0.27300  1.0 3.0
   68    60    64    65   0.15000  1.0 3.0
   68    60    64    66   0.15000  1.0 3.0
   68    60    64    67   0.15000  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   54    72    53    51   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   61    59    58    55   1.10000 -1.0 2.0
   72    85    61    58   4.00000 -1.0 2.0
   61    74    72    53   4.00000 -1.0 2.0
   74    83    77    78  10.50000 -1.0 2.0
   77    84    83    85   1.10000 -1.0 2.0
   61    86    85    83   1.10000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
END
