* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    157    239     467
    1     0 S   NP   _N1_     1    28.94286    96.11607   -19.85505
    2     1 S   H    _HN1     2     1.02971    92.39012    53.01217
    3     1 S   H    _H1_     3     1.02807    37.88284   167.98779
    4     1 S   H    _H2_     4     1.02752    80.50676   -55.25371
    5     1 S   CT   _CA1     5     1.50270   147.41719  -172.23279
    6     5 S   HC   _HA1     6     1.09597   105.03072    46.27392
    7     5 S   CO3  _C1_     7     1.53917   112.51101   -73.07611
    8     7 S   O2Z  _O11     8     1.26354   115.05023   -34.39091
    9     7 S   O2Z  _O12     9     1.26294   114.94511   144.01947
   10     5 S   CT   _CB1    10     1.53081   107.15481   163.68803
   11    10 S   HC   HB11    11     1.09805   109.00679   -51.98262
   12    10 S   HC   HB12    12     1.09759   110.31742    64.24975
   13    10 S   CT   _CG1    13     1.52903   112.94940  -173.38286
   14    13 S   HC   HG11    14     1.09489   110.11263   -65.77221
   15    13 S   HC   HG12    15     1.09652   110.18194    52.99422
   16    13 S   C    _CD1    16     1.51938   112.48812   172.58616
   17    16 S   O    _OE1    17     1.22755   123.13789   -20.89645
   18    16 S   N    _N2_    18     1.38543   111.72865   161.58026
   19    18 S   H    _HN2    19     1.01573   118.82872    -2.40290
   20    18 S   CT1  _CA2    20     1.46182   123.80936   177.84941
   21    20 S   HC   _HA2    21     1.09723   109.55385    -9.41350
   22    20 S   C    _C2_    22     1.53521   107.99914  -124.87702
   23    22 S   O    _O2_    23     1.23030   122.33398  -145.73834
   24    20 S   CT   _CB2    32     1.53356   111.16345   113.16047
   25    24 S   HC   HB21    33     1.09382   109.28529    50.92217
   26    24 S   HC   HB22    34     1.09494   110.70670   169.28221
   27    22 S   N    _N3_    24     1.38545   113.41640    41.71851
   28    27 S   H    _HN3    25     1.01525   118.86371    -0.82472
   29    24 S   S    _SG2    35     1.83012   111.55200   -72.12354
   30    27 S   CT   _CA3    26     1.45423   123.44098   175.31663
   31    30 S   HC   HA31    27     1.09527   109.21087    25.28908
   32    30 S   HC   HA32    28     1.09498   107.14103   142.24557
   33    29 S   CT   _C11    36     1.86847   101.71238   144.53268
   34    30 S   CO3  _C3_    29     1.52900   113.07656   -98.18968
   35    34 S   O2Z  _O31    30     1.26404   115.37667   -46.79681
   36    34 S   O2Z  _O32    31     1.26352   115.01532   134.15605
   37    33 S   CM   _C8_    37     1.56614   110.41779   -64.51129
   38    33 S   CT   _C12    55     1.55082   106.50163    61.21350
   39    38 S   HC   _H18    56     1.09746   111.32372    58.10639
   40    38 S   HC   _H19    57     1.09444   113.20880   -62.49010
   41    38 S   HC   _H20    58     1.09617   111.53539   176.79875
   42    33 S   CT   _C13    59     1.55705   107.16568   174.92719
   43    42 S   HC   _H21    60     1.09445   112.55452    59.52988
   44    42 S   HC   _H22    61     1.09819   110.35447   -60.37331
   45    37 S   CMA  _C9_    38     1.36715   123.64912   -58.53155
   46    45 S   OM   _O33    39     1.26377   131.03809     3.25534
   47    42 S   OS1  _O34    62     1.43245   108.91201  -179.14408
   48    45 S   CT   _C10    40     1.53347   120.22649  -175.44887
   49    48 S   HC   _H16    41     1.10141   110.70204   140.12139
   50    48 S   HC   _H17    42     1.10047   108.38538  -103.50313
   51    47 S   CO1  _C14    63     1.42776   113.42153   178.10928
   52    51 S   HC   _H4_    64     1.09653   108.99451   -53.86783
   53    48 S   CT   _C5_    43     1.53269   114.80400    19.05756
   54    53 S   HC   _H3_    44     1.09869   109.01066    68.69617
   55    51 S   CT   _C15    65     1.53290   108.16189  -172.10360
   56    55 S   HC   _H5_    66     1.09618   111.07827    52.64459
   57    53 S   CT   _C6_    45     1.51945   108.56890   -50.08530
   58    57 S   HC   _H12    46     1.09817   110.14123   -60.04822
   59    57 S   HC   _H13    47     1.09654   110.81748  -177.89355
   60    53 S   CT   _C4_    51     1.52706   110.91661  -172.53082
   61    60 S   HC   _H9_    52     1.09535   111.42761    61.05368
   62    60 S   HC   _H10    53     1.09506   110.73511   -59.19959
   63    60 S   HC   _H11    54     1.09506   110.70960  -178.76520
   64    55 S   CT   _C16    67     1.53195   110.21464   -68.54146
   65    64 S   HC   _H6_    68     1.09713   110.18930    68.13478
   66    55 S   OH5  _O39    83     1.42937   109.50139   171.07742
   67    66 S   HO   _H28    84     0.97235   107.69021   -59.02001
   68    37 S   CT   _C7_    48     1.52387   115.22759   124.29908
   69    68 S   HC   _H14    49     1.09469   110.29262   -51.04193
   70    68 S   HC   _H15    50     1.09748   107.92605    66.04321
   71    64 S   CT   _C17    69     1.53087   110.83158   -53.20746
   72    71 S   HC   _H7_    70     1.09676   109.25325   -70.82244
   73    64 S   OH5  _O38    81     1.42767   110.34198  -174.45179
   74    73 S   HO   _H27    82     0.97208   107.59000   -53.71590
   75    71 S   CT   _C18    71     1.53545   110.77971    51.07534
   76    75 S   HC   _H8_    72     1.09664   110.48600    67.95960
   77    71 S   OH5  _O37    79     1.42841   109.59553   172.42094
   78    77 S   HO   _H26    80     0.97292   107.92991   -61.28860
   79    51 S   OS1  _O35    73     1.43273   114.12526    65.26655
   80    75 S   CT   _C19    74     1.53113   110.91952  -172.38485
   81    80 S   HC   _H23    75     1.09500   110.90180    67.97813
   82    80 S   HC   _H24    76     1.09421   111.35323   -54.07201
   83    80 S   OH5  _O36    77     1.42381   109.46093  -173.35495
   84    83 S   HO   _H25    78     0.97178   107.17950   177.34237
  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  12   5   4   3
  17   2   1   1  20   9   3   2   1   9   3   2  11   5   8  12
   5   4  13   6  11   8  12   7   9   5   4   4   2   1   1  13
   7   4   1   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    68    38    39    40    41    42    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    48    57    68    69    70    38    39    40    41    42    43    44    47    51  
   35    36  
   36  
    0  
   45    46    48    49    50    53    57    58    59    68    69    70    38    39    40    41    42    43    44    47  
   39    40    41    42    43    44    47    45    68  
   40    41    42  
   41    42  
   42  
   43    44    47    51    52    55    79    45    68  
   44    47    51  
   47    51  
   46    48    49    50    53    54    57    68    69    70    60  
   48    49    50    53    68  
   51    52    55    56    64    75    79    66  
   49    50    53    54    57    58    59    68    60    61    62    63  
   50    53    54    57    60  
   53    54    57    60  
   52    55    56    64    65    71    75    76    79    80    73    66    67  
   55    56    64    75    79    66  
   54    57    58    59    68    69    70    60    61    62    63  
   57    58    59    68    60    61    62    63  
   56    64    65    71    72    75    79    77    73    74    66    67  
   64    65    71    79    73    66    67  
   58    59    68    69    70    60    61    62    63  
   59    68    69    70    60  
   68    69    70    60  
   61    62    63    68  
   62    63  
   63  
    0  
   65    71    72    75    76    79    80    77    78    73    74    66    67  
   71    72    75    77    73    74    66  
   67    71    73    79  
    0  
   69    70  
   70  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    42   268.000  1.529
   37    45   465.000  1.376
   37    68   317.000  1.510
   45    46   745.000  1.250
   45    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   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   340.000  1.090
   42    47   335.000  1.422
   47    51   370.000  1.399
   51    52   360.000  1.097
   51    55   255.000  1.525
   51    79   370.000  1.399
   55    56   340.000  1.090
   55    64   268.000  1.529
   55    66   355.000  1.421
   64    65   340.000  1.090
   64    71   268.000  1.529
   64    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   66    67   580.000  0.967
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    45    70.00000  124.00000
   33    37    68    65.00000  117.92700
   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    37.50000  110.70000
   33    42    47    95.00000  107.88500
   37    45    46    65.00000  137.10300
   37    45    48    65.00000  122.18000
   37    68    57    70.00000  112.02700
   37    68    69    35.00000  109.50000
   37    68    70    35.00000  109.50000
   45    48    49    45.00000  110.52000
   45    48    50    45.00000  110.52000
   45    48    53    70.00000  112.02700
   48    45    46    85.00000  112.85300
   48    53    54    37.50000  110.70000
   48    53    57    58.35000  112.70000
   48    53    60    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    68    58.35000  112.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   57    53    54    37.50000  110.70000
   57    68    69    37.50000  110.70000
   57    68    70    37.50000  110.70000
   59    57    58    33.00000  107.80000
   68    37    45    70.00000  124.00000
   68    57    58    37.50000  110.70000
   68    57    59    37.50000  110.70000
   70    68    69    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    70.00000  112.02700
   42    33    38    58.35000  112.70000
   42    47    51    90.00000  112.10700
   44    42    43    33.00000  107.80000
   47    42    43    55.00000  108.98800
   47    42    44    55.00000  108.98800
   47    51    52    60.00000  105.75400
   47    51    55    90.00000  109.70700
   47    51    79   110.00000  113.16000
   51    55    56    45.00000  109.54000
   51    55    64    70.00000  111.10000
   51    55    66    90.00000  109.42000
   51    79    75    90.00000  112.10700
   55    51    52    45.00000  111.65000
   55    64    65    37.50000  110.70000
   55    64    71    58.35000  112.70000
   55    64    73    90.00000  111.45300
   55    66    67    65.00000  108.53500
   64    55    56    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    75    58.35000  112.70000
   64    71    77    90.00000  111.45300
   64    73    74    65.00000  108.53500
   71    64    65    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    51    52    60.00000  105.75400
   79    51    55    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    64    65    60.00000  109.39000
   73    64    71    90.00000  111.45300
   66    55    56    60.00000  109.39000
   66    55    64    90.00000  111.45300
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    37    68   0.30250  1.0 1.0
   29    33    37    68  -0.14950 -1.0 2.0
   29    33    37    68   0.36900  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   0.15000  1.0 3.0
   29    33    42    47   0.56750  1.0 1.0
   29    33    42    47  -0.07550 -1.0 2.0
   29    33    42    47   0.20000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    48   7.00000 -1.0 2.0
   33    37    68    57   0.46850  1.0 1.0
   33    37    68    57   0.08550 -1.0 2.0
   33    37    68    57   0.09800  1.0 3.0
   33    37    68    69   0.34800  1.0 3.0
   33    37    68    70   0.34800  1.0 3.0
   33    42    47    51   0.06250  1.0 1.0
   33    42    47    51  -0.01100 -1.0 2.0
   33    42    47    51   0.28050  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    47   0.61850  1.0 1.0
   37    33    42    47  -0.22750 -1.0 2.0
   37    33    42    47   0.15300  1.0 3.0
   37    45    48    49   0.00000  1.0 1.0
   37    45    48    50   0.00000  1.0 1.0
   37    45    48    53   0.09850  1.0 1.0
   37    45    48    53   0.15250 -1.0 2.0
   37    45    48    53  -0.50650  1.0 3.0
   45    37    68    57   0.09850  1.0 1.0
   45    37    68    57   0.15250 -1.0 2.0
   45    37    68    57  -0.50650  1.0 3.0
   45    37    68    69   0.00000  1.0 1.0
   45    37    68    70   0.00000  1.0 1.0
   45    48    53    54   0.15000  1.0 3.0
   45    48   -53    57   0.34400  1.0 1.0
   45    48   -53    57   0.09450 -1.0 2.0
   45    48   -53    57   0.11100  1.0 3.0
   45    48    53    60   0.34400  1.0 1.0
   45    48    53    60   0.09450 -1.0 2.0
   45    48    53    60   0.11100  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    53   0.09700  1.0 1.0
   46    45    48    53   0.15600 -1.0 2.0
   46    45    48    53  -0.50800  1.0 3.0
   48    53    57    58   0.15000  1.0 3.0
   48    53    57    59   0.15000  1.0 3.0
   48    53    57    68   0.56750  1.0 1.0
   48    53    57    68  -0.07550 -1.0 2.0
   48    53    57    68   0.20000  1.0 3.0
   48    53    60    61   0.15000  1.0 3.0
   48    53    60    62   0.15000  1.0 3.0
   48    53    60    63   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.15000  1.0 3.0
   49    48    53    60   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.15000  1.0 3.0
   50    48    53    60   0.15000  1.0 3.0
   53    57   -68    37   0.34400  1.0 1.0
   53    57   -68    37   0.09450 -1.0 2.0
   53    57   -68    37   0.11100  1.0 3.0
   53    57    68    69   0.15000  1.0 3.0
   53    57    68    70   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    68   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   57    53    60    61   0.15000  1.0 3.0
   57    53    60    62   0.15000  1.0 3.0
   57    53    60    63   0.15000  1.0 3.0
   58    57    68    37   0.15000  1.0 3.0
   58    57    68    69   0.15000  1.0 3.0
   58    57    68    70   0.15000  1.0 3.0
   59    57    68    37   0.15000  1.0 3.0
   59    57    68    69   0.15000  1.0 3.0
   59    57    68    70   0.15000  1.0 3.0
   68    37    45    46   7.00000 -1.0 2.0
   68    37   -45    48   7.00000 -1.0 2.0
   60    53    57    58   0.15000  1.0 3.0
   60    53    57    59   0.15000  1.0 3.0
   60    53    57    68   0.56750  1.0 1.0
   60    53    57    68  -0.07550 -1.0 2.0
   60    53    57    68   0.20000  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    37    68   0.46850  1.0 1.0
   38    33    37    68   0.08550 -1.0 2.0
   38    33    37    68   0.09800  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    47   0.62750  1.0 1.0
   38    33    42    47  -0.30950 -1.0 2.0
   38    33    42    47   0.27300  1.0 3.0
   42    33    37    45   0.09850  1.0 1.0
   42    33    37    45   0.15250 -1.0 2.0
   42    33    37    45  -0.50650  1.0 3.0
   42    33    37    68   0.46850  1.0 1.0
   42    33    37    68   0.08550 -1.0 2.0
   42    33    37    68   0.09800  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    47    51    52   0.37050  1.0 3.0
   42    47    51    55   0.06250  1.0 1.0
   42    47    51    55  -0.01100 -1.0 2.0
   42    47    51    55   0.28050  1.0 3.0
   42    47    51    79  -0.12700  1.0 1.0
   42    47    51    79  -1.16200 -1.0 2.0
   42    47    51    79   0.58800  1.0 3.0
   43    42    47    51   0.37050  1.0 3.0
   44    42    47    51   0.37050  1.0 3.0
   47    51    55    56   0.23400  1.0 3.0
   47    51    55    64   0.62750  1.0 1.0
   47    51    55    64  -0.30950 -1.0 2.0
   47    51    55    64   0.27300  1.0 3.0
   47    51    55    66   1.51850  1.0 1.0
   47    51    79    75  -0.70400  1.0 1.0
   47    51    79    75  -0.90350 -1.0 2.0
   51    55    64    65   0.15000  1.0 3.0
   51    55    64    71   0.56750  1.0 1.0
   51    55    64    71  -0.07550 -1.0 2.0
   51    55    64    71   0.20000  1.0 3.0
   51    55    64    73  -0.47750  1.0 1.0
   51    55    66    67   0.29150  1.0 1.0
   51    55    66    67  -0.28350 -1.0 2.0
   51    55    66    67   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    64   0.15000  1.0 3.0
   52    51    55    66   0.23400  1.0 3.0
   52    51    79    75   0.37050  1.0 3.0
   55    51    79    75   0.06250  1.0 1.0
   55    51    79    75  -0.01100 -1.0 2.0
   55    51    79    75   0.28050  1.0 3.0
   55    64    71    72   0.15000  1.0 3.0
   55    64   -71    75   0.56750  1.0 1.0
   55    64   -71    75  -0.07550 -1.0 2.0
   55    64   -71    75   0.20000  1.0 3.0
   55    64    71    77  -0.47750  1.0 1.0
   55    64    73    74   0.29150  1.0 1.0
   55    64    73    74  -0.28350 -1.0 2.0
   55    64    73    74   0.43600  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    71   0.15000  1.0 3.0
   56    55    64    73   0.23400  1.0 3.0
   56    55    66    67   0.19450  1.0 3.0
   64    55    66    67   0.29150  1.0 1.0
   64    55    66    67  -0.28350 -1.0 2.0
   64    55    66    67   0.43600  1.0 3.0
   64    71    75    76   0.15000  1.0 3.0
   64    71    75    79   0.62750  1.0 1.0
   64    71    75    79  -0.30950 -1.0 2.0
   64    71    75    79   0.27300  1.0 3.0
   64    71    75    80   0.56750  1.0 1.0
   64    71    75    80  -0.07550 -1.0 2.0
   64    71    75    80   0.20000  1.0 3.0
   64    71    77    78   0.29150  1.0 1.0
   64    71    77    78  -0.28350 -1.0 2.0
   64    71    77    78   0.43600  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    75   0.15000  1.0 3.0
   65    64    71    77   0.23400  1.0 3.0
   65    64    73    74   0.19450  1.0 3.0
   71    64    73    74   0.29150  1.0 1.0
   71    64    73    74  -0.28350 -1.0 2.0
   71    64    73    74   0.43600  1.0 3.0
   71    75   -79    51   0.06250  1.0 1.0
   71    75   -79    51  -0.01100 -1.0 2.0
   71    75   -79    51   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    51   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    51    55    56   0.23400  1.0 3.0
   79    51   -55    64   0.62750  1.0 1.0
   79    51   -55    64  -0.30950 -1.0 2.0
   79    51   -55    64   0.27300  1.0 3.0
   79    51    55    66   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    51   0.06250  1.0 1.0
   80    75    79    51  -0.01100 -1.0 2.0
   80    75    79    51   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    64    71    72   0.23400  1.0 3.0
   73    64    71    75  -0.47750  1.0 1.0
   73    64    71    77   3.77950  1.0 1.0
   66    55    64    65   0.23400  1.0 3.0
   66    55    64    71  -0.47750  1.0 1.0
   66    55    64    73   3.77950  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    68    37    45   1.10000 -1.0 2.0
   48    46    45    37   1.10000 -1.0 2.0
END
