* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    245     463
    1     0 S   NP   _N1_     1    29.31520    95.63467   -25.45851
    2     1 S   H    _HN1     2     1.02966    85.55200    -9.07041
    3     1 S   H    _H1_     3     1.02830    21.55450   167.74097
    4     1 S   H    _H2_     4     1.02782   115.00278  -117.17313
    5     1 S   CT   _CA1     5     1.50132   121.38240   102.15261
    6     5 S   HC   _HA1     6     1.09575   105.24580    80.13664
    7     5 S   CO3  _C1_     7     1.53776   112.33636   -40.07933
    8     7 S   O2Z  _O11     8     1.26357   115.01147   -45.47970
    9     7 S   O2Z  _O12     9     1.26238   114.91480   133.64600
   10     5 S   CT   _CB1    10     1.53060   107.36284  -162.02782
   11    10 S   HC   HB11    11     1.09831   109.26463   -51.21481
   12    10 S   HC   HB12    12     1.09829   110.43251    65.24335
   13    10 S   CT   _CG1    13     1.53051   112.77159  -172.38686
   14    13 S   HC   HG11    14     1.09591   110.43742   -63.72512
   15    13 S   HC   HG12    15     1.09635   110.09153    55.60862
   16    13 S   C    _CD1    16     1.51741   112.03469   175.80203
   17    16 S   O    _OE1    17     1.22779   123.10574    -5.29098
   18    16 S   N    _N2_    18     1.38519   111.98208   175.19519
   19    18 S   H    _HN2    19     1.01569   119.24221     3.75385
   20    18 S   CT1  _CA2    20     1.45775   122.66090  -179.72446
   21    20 S   HC   _HA2    21     1.09323   109.57431    26.78923
   22    20 S   C    _C2_    22     1.52729   105.12125   -90.36077
   23    22 S   O    _O2_    23     1.22993   122.58763   -75.49701
   24    20 S   CT   _CB2    32     1.53062   112.02359   150.09134
   25    24 S   HC   HB21    33     1.09641   110.24914    57.02377
   26    24 S   HC   HB22    34     1.09584   110.62053   174.46338
   27    22 S   N    _N3_    24     1.38484   112.88288   100.41659
   28    27 S   H    _HN3    25     1.01629   120.17640    -0.73195
   29    24 S   S    _SG2    35     1.82829   114.17037   -62.58275
   30    27 S   CT   _CA3    26     1.45307   122.58376  -178.25168
   31    30 S   HC   HA31    27     1.09568   107.65096   -57.17833
   32    30 S   HC   HA32    28     1.09557   107.74949    59.11665
   33    29 S   CT   _C11    36     1.83196   100.09389   -67.22427
   34    33 S   HC   _H5_    37     1.09568   108.87970   -33.49737
   35    30 S   CO3  _C3_    29     1.52877   114.30772  -179.37568
   36    35 S   O2Z  _O31    30     1.26369   116.09951    -9.94218
   37    35 S   O2Z  _O32    31     1.26404   114.47576   170.17525
   38    33 S   CM   _C9_    38     1.50928   109.31943  -153.34577
   39    33 S   OS   _O35    50     1.43457   109.66247    84.57836
   40    38 S   CT   _C8_    39     1.50183   117.25697  -108.23929
   41    40 S   HC   _H4_    40     1.09782   107.83309    77.09801
   42    38 S   CMA  _C10    81     1.51670   119.66097    75.32722
   43    42 S   OM   _O33    82     1.26241   120.42052    65.31266
   44    42 S   OM   _O34    83     1.26263   120.66905  -114.07893
   45    40 S   CM   _C4_    41     1.49659   116.49638  -160.56949
   46    45 S   HC   _H12    42     1.08148   123.32814   -64.92029
   47    45 S   CM   _C5_    43     1.33575   113.08551   114.95015
   48    47 S   HC   _H13    44     1.08115   123.58809  -178.66719
   49    47 S   CT   _C6_    45     1.49778   112.64179    -1.27319
   50    40 S   CT   _C7_    46     1.55158   112.10589   -42.97983
   51    50 S   HC   _H3_    47     1.10220   105.49295   132.68732
   52    49 S   CT   _C19    74     1.53298   113.50248   130.37680
   53    52 S   HC   _H20    75     1.09538   111.74778   -56.26262
   54    52 S   HC   _H21    76     1.09502   110.46367  -177.84505
   55    49 S   OH   _O43    79     1.42422   108.09944  -108.67407
   56    55 S   HO   _H23    80     0.97315   107.24159   -70.79052
   57    50 S   CO   _C12    48     1.53512   112.84258    15.34472
   58    57 S   HC   _H6_    49     1.09713   112.11873   -80.81897
   59    52 S   OH   _O42    77     1.42663   109.99366    64.12975
   60    59 S   HO   _H22    78     0.97246   106.89909   179.69610
   61    57 S   OS1  _O36    51     1.43231   107.71874   159.37703
   62    61 S   CO1  _C13    52     1.43193   112.54089   174.40928
   63    62 S   HC   _H7_    53     1.09578   108.81884    48.62544
   64    62 S   CT   _C14    54     1.53284   107.76683   167.78068
   65    64 S   HC   _H8_    55     1.09672   110.05341    54.50473
   66    64 S   CT   _C15    56     1.53133   110.88567   176.38968
   67    66 S   HC   _H9_    57     1.09636   110.24163    73.88808
   68    64 S   OH5  _O41    72     1.42948   110.22132   -62.45305
   69    68 S   HO   _H19    73     0.97472   107.78585   -55.90475
   70    66 S   CT   _C16    58     1.53265   111.38875   -48.97823
   71    70 S   HC   _H10    59     1.09709   108.91248   -72.18290
   72    66 S   OH5  _O40    70     1.43054   109.44055  -170.34042
   73    72 S   HO   _H18    71     0.97219   108.07182    62.25119
   74    70 S   CT   _C17    60     1.53306   110.98347    48.95003
   75    74 S   HC   _H11    61     1.09760   111.15886    64.66795
   76    70 S   OH5  _O39    68     1.42561   109.64810   171.18325
   77    76 S   HO   _H17    69     0.97730   107.99645   -62.24424
   78    62 S   OS1  _O37    62     1.42880   110.98360   -72.27691
   79    74 S   CT   _C18    63     1.52922   111.54590  -174.54648
   80    79 S   HC   _H14    64     1.09499   111.00235    69.40016
   81    79 S   HC   _H15    65     1.09398   111.53908   -53.01365
   82    79 S   OH5  _O38    66     1.42490   109.05161  -171.95043
   83    82 S   HO   _H16    67     0.97208   107.09409  -178.13386
  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   7   5   4   3
  13   5   2   1   1  13   9  16   8   4   1   1   9   4  11   4
  12  11   5   7   4   3   3   1   6   2   1   1   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    57    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    50    57    58    39    61    42    43    44  
   38    40    57    39    42  
   36    37  
   37  
    0  
   40    41    45    46    47    49    50    51    57    39    42    43    44  
   61    62    42    40    49    50    51    57    58  
   41    45    46    47    48    49    50    51    57    58    61    52    55    42    43    44  
   45    46    47    49    50    51    57    42  
   43    44    45    50  
   44  
    0  
   46    47    48    49    50    51    57    52    55  
   47    48    49    50  
   48    49    50    51    57    52    53    54    59    55    56  
   49    50    52    55  
   50    51    57    58    61    52    53    54    59    60    55    56  
   51    57    58    61    62    52    53    54    59    55    56  
   57    58    61    52    55  
   53    54    59    60    55    56    57  
   54    59    60    55  
   59    60    55  
   56    57    59  
    0  
   58    61    62    63    64    78  
   61    62  
   60  
    0  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   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
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   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   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    45   317.000  1.510
   40    50   268.000  1.529
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   49    55   320.000  1.410
   50    51   340.000  1.090
   50    57   250.000  1.527
   57    58   340.000  1.090
   57    39   320.000  1.380
   57    61   320.000  1.380
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   320.000  1.410
   59    60   553.000  0.945
   55    56   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
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    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    57    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    45    70.00000  110.12100
   38    40    50    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   40    45    46    35.00000  117.00000
   40    45    47    70.00000  124.00000
   40    50    49    58.35000  112.70000
   40    50    51    37.50000  110.70000
   40    50    57    75.00000  109.43000
   45    40    41    35.00000  109.50000
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   47    49    55    90.00000  110.39200
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    57    75.00000  109.43000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    50.00000  109.50000
   49    55    56    55.00000  108.50000
   50    40    41    37.50000  110.70000
   50    40    45    70.00000  112.02700
   50    57    58    45.00000  112.01100
   50    57    39    90.00000  108.56700
   50    57    61    90.00000  108.56700
   57    50    51    45.00000  108.72000
   57    61    62    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    57    58    35.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    39    92.60000  111.55000
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   52    49    50    58.35000  112.70000
   52    59    60    55.00000  108.50000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   55    49    50    50.00000  109.50000
   55    49    52    50.00000  109.50000
   42    38    40    70.00000  124.00000
   44    42    43    65.00000  121.00000
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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    57   0.14700  1.0 1.0
   29    33    39    57  -1.16150 -1.0 2.0
   29    33    39    57   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    45   0.09700  1.0 1.0
   33    38    40    45   0.15600 -1.0 2.0
   33    38    40    45  -0.50800  1.0 3.0
   33    38    40    50   0.46850  1.0 1.0
   33    38    40    50   0.08550 -1.0 2.0
   33    38    40    50   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    57   0.37050  1.0 3.0
   38    33    39    57  -0.77900  1.0 1.0
   38    33    39    57  -0.36900 -1.0 2.0
   38    33    39    57   0.40400  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    47  -0.28300  1.0 1.0
   38    40    45    47   0.26700 -1.0 2.0
   38    40    45    47  -0.63300  1.0 3.0
   38    40    50    49   0.34400  1.0 1.0
   38    40    50    49   0.09450 -1.0 2.0
   38    40    50    49   0.11100  1.0 3.0
   38    40    50    51   0.15000  1.0 3.0
   38    40   -50    57   0.34400  1.0 1.0
   38    40   -50    57   0.09450 -1.0 2.0
   38    40   -50    57   0.11100  1.0 3.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    44   7.00000 -1.0 2.0
   40    45    47    48   7.00000 -1.0 2.0
   40    45   -47    49   7.00000 -1.0 2.0
   40    50    57    58   0.15000  1.0 3.0
   40    50    57    39   0.62750  1.0 1.0
   40    50    57    39  -0.30950 -1.0 2.0
   40    50    57    39   0.27300  1.0 3.0
   40    50    57    61   0.62750  1.0 1.0
   40    50    57    61  -0.30950 -1.0 2.0
   40    50    57    61   0.27300  1.0 3.0
   41    40    45    46   0.33100  1.0 3.0
   41    40    45    47   0.00000  1.0 1.0
   41    40    50    49   0.15000  1.0 3.0
   41    40    50    51   0.15000  1.0 3.0
   41    40    50    57   0.15000  1.0 3.0
   45    40   -50    49   0.34400  1.0 1.0
   45    40   -50    49   0.09450 -1.0 2.0
   45    40   -50    49   0.11100  1.0 3.0
   45    40    50    51   0.15000  1.0 3.0
   45    40    50    57   0.34400  1.0 1.0
   45    40    50    57   0.09450 -1.0 2.0
   45    40    50    57   0.11100  1.0 3.0
   45    47   -49    50   0.09850  1.0 1.0
   45    47   -49    50   0.15250 -1.0 2.0
   45    47   -49    50  -0.50650  1.0 3.0
   45    47    49    52   0.09850  1.0 1.0
   45    47    49    52   0.15250 -1.0 2.0
   45    47    49    52  -0.50650  1.0 3.0
   45    47    49    55   0.67800  1.0 1.0
   45    47    49    55   0.47050 -1.0 2.0
   45    47    49    55  -0.62500  1.0 3.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    49   7.00000 -1.0 2.0
   47    49   -50    40   0.34400  1.0 1.0
   47    49   -50    40   0.09450 -1.0 2.0
   47    49   -50    40   0.11100  1.0 3.0
   47    49    50    51   0.15000  1.0 3.0
   47    49    50    57   0.34400  1.0 1.0
   47    49    50    57   0.09450 -1.0 2.0
   47    49    50    57   0.11100  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    59   1.05650  1.0 1.0
   47    49    52    59   0.15600 -1.0 2.0
   47    49    52    59   0.53150  1.0 3.0
   47    49    55    56  -0.07800  1.0 1.0
   47    49    55    56  -0.21500 -1.0 2.0
   47    49    55    56  -0.03150  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    52   0.00000  1.0 1.0
   48    47    49    55   0.00000  1.0 1.0
   49    50    57    58   0.15000  1.0 3.0
   49    50    57    39   0.62750  1.0 1.0
   49    50    57    39  -0.30950 -1.0 2.0
   49    50    57    39   0.27300  1.0 3.0
   49    50    57    61   0.62750  1.0 1.0
   49    50    57    61  -0.30950 -1.0 2.0
   49    50    57    61   0.27300  1.0 3.0
   49    52    59    60  -0.11600  1.0 1.0
   49    52    59    60  -0.09450 -1.0 2.0
   49    52    59    60   0.21250  1.0 3.0
   50    40    45    46   0.00000  1.0 1.0
   50    40   -45    47   0.09850  1.0 1.0
   50    40   -45    47   0.15250 -1.0 2.0
   50    40   -45    47  -0.50650  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.86500  1.0 1.0
   50    49    52    59  -0.17500 -1.0 2.0
   50    49    52    59   0.20800  1.0 3.0
   50    49    55    56  -0.11600  1.0 1.0
   50    49    55    56  -0.09450 -1.0 2.0
   50    49    55    56   0.21250  1.0 3.0
   50    57   -39    33   0.06250  1.0 1.0
   50    57   -39    33  -0.01100 -1.0 2.0
   50    57   -39    33   0.28050  1.0 3.0
   50    57    61    62   0.06250  1.0 1.0
   50    57    61    62  -0.01100 -1.0 2.0
   50    57    61    62   0.28050  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    39   0.23400  1.0 3.0
   51    50    57    61   0.23400  1.0 3.0
   57    61    62    63   0.37050  1.0 3.0
   57    61    62    64   0.06250  1.0 1.0
   57    61    62    64  -0.01100 -1.0 2.0
   57    61    62    64   0.28050  1.0 3.0
   57    61    62    78  -0.12700  1.0 1.0
   57    61    62    78  -1.16200 -1.0 2.0
   57    61    62    78   0.58800  1.0 3.0
   58    57    39    33   0.37050  1.0 3.0
   58    57    61    62   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    57    61    62  -0.53350  1.0 1.0
   39    57    61    62  -0.78350 -1.0 2.0
   39    57    61    62   0.33750  1.0 3.0
   61    57    39    33  -0.81800  1.0 1.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   52    49    50    40   0.56750  1.0 1.0
   52    49    50    40  -0.07550 -1.0 2.0
   52    49    50    40   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    57   3.97050  1.0 1.0
   52    49    55    56  -0.11600  1.0 1.0
   52    49    55    56  -0.09450 -1.0 2.0
   52    49    55    56   0.21250  1.0 3.0
   53    52    59    60   0.19450  1.0 3.0
   54    52    59    60   0.19450  1.0 3.0
   55    49    50    40   0.86500  1.0 1.0
   55    49    50    40  -0.17500 -1.0 2.0
   55    49    50    40   0.20800  1.0 3.0
   55    49    50    51   0.23400  1.0 3.0
   55    49    50    57   0.86500  1.0 1.0
   55    49    50    57  -0.17500 -1.0 2.0
   55    49    50    57   0.20800  1.0 3.0
   55    49    52    53   0.23400  1.0 3.0
   55    49    52    54   0.23400  1.0 3.0
   55    49    52    59   3.75450  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.28300  1.0 1.0
   42    38    40    45   0.26700 -1.0 2.0
   42    38    40    45  -0.63300  1.0 3.0
   42    38    40    50   0.09850  1.0 1.0
   42    38    40    50   0.15250 -1.0 2.0
   42    38    40    50  -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    40    38    42   1.10000 -1.0 2.0
   40    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
