* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    160    266     483
    1     0 S   NP   _N1_     1    28.82721    96.05854   -24.24313
    2     1 S   H    _HN1     2     1.02789   111.29682   -93.06580
    3     1 S   H    _H1_     3     1.02949    72.86823    10.44932
    4     1 S   H    _H2_     4     1.02828    35.30119   175.79746
    5     1 S   CT   _CA1     5     1.50113   132.20351   112.76298
    6     5 S   HC   _HA1     6     1.09574   105.18432    92.68473
    7     5 S   CO3  _C1_     7     1.53774   112.45606   -27.54009
    8     7 S   O2Z  _O11     8     1.26371   115.01155   -43.03700
    9     7 S   O2Z  _O12     9     1.26238   114.93700   136.05325
   10     5 S   CT   _CB1    10     1.53071   107.41410  -149.35612
   11    10 S   HC   HB11    11     1.09836   109.33756   -49.75453
   12    10 S   HC   HB12    12     1.09812   110.46953    66.84015
   13    10 S   CT   _CG1    13     1.53005   112.62469  -170.71968
   14    13 S   HC   HG11    14     1.09577   110.67050   -66.44592
   15    13 S   HC   HG12    15     1.09671   109.75139    52.79534
   16    13 S   C    _CD1    16     1.51806   112.12811   173.24175
   17    16 S   O    _OE1    17     1.22744   123.24287     9.00289
   18    16 S   N    _N2_    18     1.38650   111.74328  -171.01729
   19    18 S   H    _HN2    19     1.01581   118.97093     1.32205
   20    18 S   CT1  _CA2    20     1.46199   123.37075   177.00317
   21    20 S   HC   _HA2    21     1.09740   109.31058     5.12193
   22    20 S   C    _C2_    22     1.53610   108.81486  -110.36209
   23    22 S   O    _O2_    23     1.23072   122.24424  -148.95266
   24    20 S   CT   _CB2    32     1.53296   111.59740   127.08865
   25    24 S   HC   HB21    33     1.09528   110.10247    56.66586
   26    24 S   HC   HB22    34     1.09513   110.08822   175.65346
   27    22 S   N    _N3_    24     1.38315   113.80771    38.56313
   28    27 S   H    _HN3    25     1.01564   119.60285    -3.32231
   29    24 S   S    _SG2    35     1.82869   111.45682   -64.70895
   30    27 S   CT   _CA3    26     1.45289   123.26063   177.12778
   31    30 S   HC   HA31    27     1.09548   107.51147   -64.68218
   32    30 S   HC   HA32    28     1.09555   107.99309    51.77101
   33    29 S   CT   _C21    36     1.86322    99.58902  -179.62675
   34    33 S   HC   _H6_    37     1.09737   106.16404    28.60911
   35    30 S   CO3  _C3_    29     1.52971   114.04873   173.76432
   36    35 S   O2Z  _O31    30     1.26380   116.06474    -0.69097
   37    35 S   O2Z  _O32    31     1.26424   114.42060   179.37193
   38    33 S   CM   _C20    38     1.51085   106.41010   -83.70344
   39    38 S   HC   _H23    39     1.08956   117.99215    34.90722
   40    38 S   CMA  _C19    40     1.34423   124.55727  -147.58997
   41    40 S   OM   _O34    41     1.25954   130.67611  -178.74664
   42    40 S   CM   _C18    42     1.45429   117.79556    -0.68386
   43    42 S   HC   _H22    43     1.09118   117.26514  -168.61557
   44    42 S   CM   _C17    44     1.34828   123.89894    12.54734
   45    44 S   CM   _C15    45     1.46468   120.19630   176.66070
   46    45 S   CT   _C14    46     1.50127   115.79356   133.38884
   47    46 S   HC   _H18    47     1.09683   110.42757   174.24258
   48    46 S   HC   _H19    48     1.09814   108.99995   -69.20113
   49    45 S   CM   _C16    79     1.34388   122.76026   -49.07963
   50    49 S   HC   _H20    80     1.08515   121.27974  -178.82231
   51    49 S   HC   _H21    81     1.08559   121.91891     0.62963
   52    46 S   CT   _C9_    49     1.53309   110.92253    52.54062
   53    52 S   HC   _H4_    50     1.09609   108.12696    62.95042
   54    52 S   CT   _C10    51     1.53112   111.18377  -177.28279
   55    54 S   HC   _H5_    52     1.10405   106.61583    63.39815
   56    52 S   CT   _C8_    68     1.56568   109.74062   -56.70387
   57    56 S   HC   _H3_    69     1.10268   105.59570   -57.60438
   58    54 S   CT   _C11    53     1.52549   119.81003   -56.00579
   59    58 S   HC   _H14    54     1.09439   112.68093    70.63227
   60    58 S   HC   _H15    55     1.09539   111.65040   -50.76473
   61    33 S   CT   _C22    70     1.59471   114.84994   147.75686
   62    58 S   CT   _C12    56     1.53551   102.82289  -169.91993
   63    62 S   HC   _H16    57     1.09377   111.09930   -90.03706
   64    62 S   HC   _H17    58     1.09202   111.62829   145.57006
   65    61 S   CT   _C23    71     1.55369   112.04242    33.24023
   66    65 S   HC   _H24    72     1.09298   112.92877   -66.82750
   67    65 S   HC   _H25    73     1.09560   112.43279   173.31716
   68    65 S   HC   _H26    74     1.09707   110.95975    54.07964
   69    62 S   CO4  _C13    59     1.51871   102.97299    26.32788
   70    69 S   O    _O33    60     1.22384   123.89191   178.83131
   71    54 S   CT   _C5_    61     1.54020   111.75375  -178.10876
   72    71 S   CT   _C6_    62     1.52241   107.42163   -65.83892
   73    72 S   HC   _H10    63     1.09801   110.26899   -62.54053
   74    72 S   HC   _H11    64     1.09694   110.74912  -179.29501
   75    71 S   CT   _C4_    75     1.53928   116.02170    59.62237
   76    75 S   HC   _H7_    76     1.09320   112.88907   -61.86932
   77    75 S   HC   _H8_    77     1.09683   110.17624   178.22657
   78    75 S   HC   _H9_    78     1.09531   112.39537    59.84312
   79    72 S   CT   _C7_    65     1.53955   111.05849    58.66835
   80    79 S   HC   _H12    66     1.09397   108.51029    72.50478
   81    79 S   HC   _H13    67     1.09374   106.52952  -172.86397
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1   9   4   6   3   8   3  16  12  15   6   5
   4   1   1  18   8  21   9  14   6  10   6   5   8   7   4   3
   4   2   1   1  10   3  10   9   5   4   4   2   1   1   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    56    61    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    52    79    56    57    61    65    66    67    68  
   38    39    40    44    56    61    65  
   36    37  
   37  
    0  
   39    40    41    42    43    44    56    61    65  
   40    41    42    61  
   41    42    43    44    45    61  
   42    43    44  
   43    44    45    46    56    61    65    49  
   44    45    61  
   45    46    47    48    52    79    56    57    61    65    66    67    68    49    50    51  
   46    47    48    52    53    54    56    61    65    49    50    51  
   47    48    52    53    54    55    58    71    79    56    57    61    49    50    51  
   48    52    53    54    56    49  
   52    53    54    56    49  
   50    51    52    61  
   51  
    0  
   53    54    55    58    59    60    62    69    71    72    79    80    81    56    57    61    65    75  
   54    55    58    71    79    56    57    61  
   55    58    59    60    62    63    64    69    70    71    72    73    74    79    56    57    61    75    76    77    78  
   58    59    60    62    69    71    72    56    75  
   57    61    65    66    67    68    58    71    72    73    74    79    80    81  
   61    65    72    79    80    81  
   59    60    62    63    64    69    70    71    72    75  
   60    62    63    64    69    71  
   62    63    64    69    71  
   65    66    67    68    72    79    80    81  
   63    64    69    70    71    72    75  
   64    69    70    71  
   69    70    71  
   66    67    68    79  
   67    68  
   68  
    0  
   70    71    72    73    74    79    75    76    77    78  
   71    72    75  
   72    73    74    79    80    81    75    76    77    78  
   73    74    79    80    81    75    76    77    78  
   74    79    80    81    75  
   79    80    81    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    61   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   380.000  1.444
   44    61   317.000  1.510
   45    46   317.000  1.510
   45    49   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    71   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   317.000  1.522
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   268.000  1.529
   71    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    56   268.000  1.529
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   49    50   340.000  1.080
   49    51   340.000  1.080
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  112.20000
   29    33    61    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    61    44    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    65    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  123.01800
   42    44    61    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    70.00000  124.00000
   44    45    49    70.00000  123.01800
   44    61    56    70.00000  112.02700
   44    61    65    70.00000  112.02700
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    52    70.00000  112.02700
   45    49    50    35.00000  120.00000
   45    49    51    35.00000  120.00000
   46    52    53    37.50000  110.70000
   46    52    54    58.35000  112.70000
   46    52    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    71    58.35000  112.70000
   52    56    79    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    71    69    63.00000  111.10000
   54    71    72    58.35000  112.70000
   54    71    75    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    69    63.00000  111.10000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    69    70    80.00000  120.40000
   62    69    71    70.00000  116.00000
   64    62    63    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    64    35.00000  109.50000
   69    71    72    63.00000  111.10000
   69    71    75    63.00000  111.10000
   71    54    55    37.50000  110.70000
   71    54    58    58.35000  112.70000
   71    69    70    80.00000  120.40000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    79    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    56    58.35000  112.70000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   79    56    57    37.50000  110.70000
   79    56    61    58.35000  112.70000
   81    79    80    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    79    80    37.50000  110.70000
   56    79    81    37.50000  110.70000
   56    61    65    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    70.00000  112.02700
   61    44    45    70.00000  124.00000
   61    56    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   75    71    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   49    45    46    70.00000  124.00000
   51    49    50    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    61    44   0.56750  1.0 1.0
   29    33    61    44  -0.07550 -1.0 2.0
   29    33    61    44   0.20000  1.0 3.0
   29    33    61    56   0.44750  1.0 1.0
   29    33    61    56  -0.17800 -1.0 2.0
   29    33    61    56   0.20200  1.0 3.0
   29    33    61    65   0.44750  1.0 1.0
   29    33    61    65  -0.17800 -1.0 2.0
   29    33    61    65   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    61    65    66   0.15000  1.0 3.0
   33    61    65    67   0.15000  1.0 3.0
   33    61    65    68   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    61    44   0.15000  1.0 3.0
   34    33    61    56   0.15000  1.0 3.0
   34    33    61    65   0.15000  1.0 3.0
   38    33    61    44   0.31000  1.0 1.0
   38    33    61    44   0.14700 -1.0 2.0
   38    33    61    44   0.07550  1.0 3.0
   38    33    61    56   0.34400  1.0 1.0
   38    33    61    56   0.09450 -1.0 2.0
   38    33    61    56   0.11100  1.0 3.0
   38    33    61    65   0.34400  1.0 1.0
   38    33    61    65   0.09450 -1.0 2.0
   38    33    61    65   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    61   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    45    46  -0.18600  1.0 3.0
   42    44    45    49   0.28850  1.0 1.0
   42    44    45    49   2.61350 -1.0 2.0
   42    44    45    49   0.78400  1.0 3.0
   42    44   -61    33   0.09850  1.0 1.0
   42    44   -61    33   0.15250 -1.0 2.0
   42    44   -61    33  -0.50650  1.0 3.0
   42    44    61    56   0.09850  1.0 1.0
   42    44    61    56   0.15250 -1.0 2.0
   42    44    61    56  -0.50650  1.0 3.0
   42    44    61    65   0.09850  1.0 1.0
   42    44    61    65   0.15250 -1.0 2.0
   42    44    61    65  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    61   7.00000 -1.0 2.0
   44    45    46    47   0.00000  1.0 1.0
   44    45    46    48   0.00000  1.0 1.0
   44    45    46    52   0.98200  1.0 1.0
   44    45    46    52  -0.11900 -1.0 2.0
   44    45    46    52   0.24250  1.0 3.0
   44    45    49    50   7.00000 -1.0 2.0
   44    45    49    51   7.00000 -1.0 2.0
   44    61    65    66   0.15000  1.0 3.0
   44    61    65    67   0.15000  1.0 3.0
   44    61    65    68   0.15000  1.0 3.0
   45    44    61    33   0.98200  1.0 1.0
   45    44    61    33  -0.11900 -1.0 2.0
   45    44    61    33   0.24250  1.0 3.0
   45    44    61    56   0.98200  1.0 1.0
   45    44    61    56  -0.11900 -1.0 2.0
   45    44    61    56   0.24250  1.0 3.0
   45    44    61    65   0.98200  1.0 1.0
   45    44    61    65  -0.11900 -1.0 2.0
   45    44    61    65   0.24250  1.0 3.0
   45    46    52    53   0.15000  1.0 3.0
   45    46    52    54   0.34400  1.0 1.0
   45    46    52    54   0.09450 -1.0 2.0
   45    46    52    54   0.11100  1.0 3.0
   45    46   -52    56   0.34400  1.0 1.0
   45    46   -52    56   0.09450 -1.0 2.0
   45    46   -52    56   0.11100  1.0 3.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   46    52    54    55   0.15000  1.0 3.0
   46    52    54    58   0.56750  1.0 1.0
   46    52    54    58  -0.07550 -1.0 2.0
   46    52    54    58   0.20000  1.0 3.0
   46    52    54    71   0.56750  1.0 1.0
   46    52    54    71  -0.07550 -1.0 2.0
   46    52    54    71   0.20000  1.0 3.0
   46    52    56    79   0.56750  1.0 1.0
   46    52    56    79  -0.07550 -1.0 2.0
   46    52    56    79   0.20000  1.0 3.0
   46    52    56    57   0.15000  1.0 3.0
   46    52    56    61   0.56750  1.0 1.0
   46    52    56    61  -0.07550 -1.0 2.0
   46    52    56    61   0.20000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    56   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54   0.15000  1.0 3.0
   48    46    52    56   0.15000  1.0 3.0
   52    54    58    59   0.15000  1.0 3.0
   52    54    58    60   0.15000  1.0 3.0
   52    54    58    62   0.56750  1.0 1.0
   52    54    58    62  -0.07550 -1.0 2.0
   52    54    58    62   0.20000  1.0 3.0
   52    54    71    69  -0.95700  1.0 1.0
   52    54    71    69  -0.18200 -1.0 2.0
   52    54    71    69   0.29450  1.0 3.0
   52    54    71    72   0.56750  1.0 1.0
   52    54    71    72  -0.07550 -1.0 2.0
   52    54    71    72   0.20000  1.0 3.0
   52    54    71    75   0.56750  1.0 1.0
   52    54    71    75  -0.07550 -1.0 2.0
   52    54    71    75   0.20000  1.0 3.0
   52    56    61    33   0.56750  1.0 1.0
   52    56    61    33  -0.07550 -1.0 2.0
   52    56    61    33   0.20000  1.0 3.0
   52    56   -61    44   0.34400  1.0 1.0
   52    56   -61    44   0.09450 -1.0 2.0
   52    56   -61    44   0.11100  1.0 3.0
   52    56    61    65   0.56750  1.0 1.0
   52    56    61    65  -0.07550 -1.0 2.0
   52    56    61    65   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    71   0.15000  1.0 3.0
   53    52    56    79   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    61   0.15000  1.0 3.0
   54    52    56    79   0.56750  1.0 1.0
   54    52    56    79  -0.07550 -1.0 2.0
   54    52    56    79   0.20000  1.0 3.0
   54    52    56    57   0.15000  1.0 3.0
   54    52    56    61   0.56750  1.0 1.0
   54    52    56    61  -0.07550 -1.0 2.0
   54    52    56    61   0.20000  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    64   0.15000  1.0 3.0
   54    58   -62    69  -0.95700  1.0 1.0
   54    58   -62    69  -0.18200 -1.0 2.0
   54    58   -62    69   0.29450  1.0 3.0
   54    71    72    73   0.15000  1.0 3.0
   54    71    72    74   0.15000  1.0 3.0
   54    71   -72    79   0.56750  1.0 1.0
   54    71   -72    79  -0.07550 -1.0 2.0
   54    71   -72    79   0.20000  1.0 3.0
   54    71    75    76   0.15000  1.0 3.0
   54    71    75    77   0.15000  1.0 3.0
   54    71    75    78   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    71    69  -0.11250  1.0 3.0
   55    54    71    72   0.15000  1.0 3.0
   55    54    71    75   0.15000  1.0 3.0
   58    54   -71    69  -0.95700  1.0 1.0
   58    54   -71    69  -0.18200 -1.0 2.0
   58    54   -71    69   0.29450  1.0 3.0
   58    54    71    72   0.56750  1.0 1.0
   58    54    71    72  -0.07550 -1.0 2.0
   58    54    71    72   0.20000  1.0 3.0
   58    54    71    75   0.56750  1.0 1.0
   58    54    71    75  -0.07550 -1.0 2.0
   58    54    71    75   0.20000  1.0 3.0
   58    62    69    70   0.30150 -1.0 2.0
   58    62   -69    71   0.60050  1.0 1.0
   58    62   -69    71   0.05600 -1.0 2.0
   58    62   -69    71   0.26150  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    69  -0.11250  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    69  -0.11250  1.0 3.0
   62    69   -71    54   0.60050  1.0 1.0
   62    69   -71    54   0.05600 -1.0 2.0
   62    69   -71    54   0.26150  1.0 3.0
   62    69    71    72   0.60050  1.0 1.0
   62    69    71    72   0.05600 -1.0 2.0
   62    69    71    72   0.26150  1.0 3.0
   62    69    71    75   0.60050  1.0 1.0
   62    69    71    75   0.05600 -1.0 2.0
   62    69    71    75   0.26150  1.0 3.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    71   0.00000  1.0 1.0
   64    62    69    70   0.00000  1.0 1.0
   64    62    69    71   0.00000  1.0 1.0
   69    71    72    73  -0.11250  1.0 3.0
   69    71    72    74  -0.11250  1.0 3.0
   69    71    72    79  -0.95700  1.0 1.0
   69    71    72    79  -0.18200 -1.0 2.0
   69    71    72    79   0.29450  1.0 3.0
   69    71    75    76  -0.11250  1.0 3.0
   69    71    75    77  -0.11250  1.0 3.0
   69    71    75    78  -0.11250  1.0 3.0
   70    69    71    54   0.30150 -1.0 2.0
   70    69    71    72   0.30150 -1.0 2.0
   70    69    71    75   0.30150 -1.0 2.0
   71    54    58    59   0.15000  1.0 3.0
   71    54    58    60   0.15000  1.0 3.0
   71    54   -58    62   0.56750  1.0 1.0
   71    54   -58    62  -0.07550 -1.0 2.0
   71    54   -58    62   0.20000  1.0 3.0
   71    72    79    80   0.15000  1.0 3.0
   71    72    79    81   0.15000  1.0 3.0
   71    72    79    56   0.56750  1.0 1.0
   71    72    79    56  -0.07550 -1.0 2.0
   71    72    79    56   0.20000  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   72    79   -56    52   0.56750  1.0 1.0
   72    79   -56    52  -0.07550 -1.0 2.0
   72    79   -56    52   0.20000  1.0 3.0
   72    79    56    57   0.15000  1.0 3.0
   72    79    56    61   0.56750  1.0 1.0
   72    79    56    61  -0.07550 -1.0 2.0
   72    79    56    61   0.20000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    56   0.15000  1.0 3.0
   74    72    79    80   0.15000  1.0 3.0
   74    72    79    81   0.15000  1.0 3.0
   74    72    79    56   0.15000  1.0 3.0
   79    56    61    33   0.56750  1.0 1.0
   79    56    61    33  -0.07550 -1.0 2.0
   79    56    61    33   0.20000  1.0 3.0
   79    56    61    44   0.34400  1.0 1.0
   79    56    61    44   0.09450 -1.0 2.0
   79    56    61    44   0.11100  1.0 3.0
   79    56    61    65   0.56750  1.0 1.0
   79    56    61    65  -0.07550 -1.0 2.0
   79    56    61    65   0.20000  1.0 3.0
   80    79    56    52   0.15000  1.0 3.0
   80    79    56    57   0.15000  1.0 3.0
   80    79    56    61   0.15000  1.0 3.0
   81    79    56    52   0.15000  1.0 3.0
   81    79    56    57   0.15000  1.0 3.0
   81    79    56    61   0.15000  1.0 3.0
   56    52    54    55   0.15000  1.0 3.0
   56    52    54    58   0.56750  1.0 1.0
   56    52    54    58  -0.07550 -1.0 2.0
   56    52    54    58   0.20000  1.0 3.0
   56    52   -54    71   0.56750  1.0 1.0
   56    52   -54    71  -0.07550 -1.0 2.0
   56    52   -54    71   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    68   0.15000  1.0 3.0
   57    56    61    33   0.15000  1.0 3.0
   57    56    61    44   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33   -38    40   0.09850  1.0 1.0
   61    33   -38    40   0.15250 -1.0 2.0
   61    33   -38    40  -0.50650  1.0 3.0
   61    44   -45    46   0.35650  1.0 1.0
   61    44   -45    46   0.31450 -1.0 2.0
   61    44    45    49  -0.18600  1.0 3.0
   75    71    72    73   0.15000  1.0 3.0
   75    71    72    74   0.15000  1.0 3.0
   75    71    72    79   0.56750  1.0 1.0
   75    71    72    79  -0.07550 -1.0 2.0
   75    71    72    79   0.20000  1.0 3.0
   49    45    46    47   0.00000  1.0 1.0
   49    45    46    48   0.00000  1.0 1.0
   49    45    46    52   0.09850  1.0 1.0
   49    45    46    52   0.15250 -1.0 2.0
   49    45    46    52  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    61    44    42   1.10000 -1.0 2.0
   44    46    45    49   1.10000 -1.0 2.0
   62    71    69    70  10.50000 -1.0 2.0
   50    51    49    45   1.10000 -1.0 2.0
END
