* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    159    253     462
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02070    33.08849   156.42012
    3     1 S   H    _H1_     3     1.02127    87.61563   -72.97687
    4     1 S   H    _H2_     4     1.02096    92.82508    35.63444
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.82016    98.19279  -178.17105
   34    33 S   HC   _H6_    37     1.09530   104.67022   -37.85219
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C21    38     1.51971   115.16724  -160.02057
   39    38 S   CT   _C20    39     1.52411   113.23481   175.91678
   40    39 S   HC   _H5_    40     1.07991   107.76408   142.30291
   41    38 S   CMA  _C22    77     1.34438   127.42868    -6.20760
   42    41 S   OM   _O33    78     1.27082   124.35476     2.22906
   43    39 S   CM   _C6_    41     1.51872   110.28585    24.81874
   44    39 S   CT   _C19    67     1.54214   111.57953   -99.01274
   45    44 S   HC   _H20    68     1.09502   110.30733    52.99443
   46    44 S   HC   _H21    69     1.09197   109.72705   -65.09463
   47    41 S   OS   _O34    79     1.42178   109.98270  -177.66720
   48    43 S   CM   _C7_    42     1.34282   119.45898  -147.65212
   49    48 S   HC   _H10    43     1.08065   122.12698  -177.15401
   50    43 S   CT   _C5_    70     1.51181   113.91174    30.67762
   51    50 S   HC   _H3_    71     1.11141   107.69335    59.99481
   52    47 S   CT   _C23    80     1.42592   116.11193   179.97202
   53    52 S   HC   _H22    81     1.09275   109.54198  -179.98022
   54    52 S   HC   _H23    82     1.09348   109.51194    59.17752
   55    52 S   HC   _H24    83     1.09382   109.00001   -60.35882
   56    48 S   NE   _N4_    44     1.38571   125.17084    -0.25944
   57    33 S   OS   _O35    72     1.43685   109.53418    72.69941
   58    50 S   CT   _C4_    73     1.52626   116.33009   178.73669
   59    58 S   HC   _H7_    74     1.08815   109.70985    60.38617
   60    58 S   HC   _H8_    75     1.08839   109.79159   -59.63642
   61    58 S   HC   _H9_    76     1.08813   109.72419  -179.69290
   62    56 S   CT   _C8_    45     1.47269   121.81984  -175.22246
   63    62 S   HC   _H11    46     1.09750   108.92124   112.80185
   64    62 S   HC   _H12    47     1.09532   111.17531    -4.61142
   65    62 S   CT   _C9_    48     1.53369   110.88574  -125.36487
   66    65 S   HC   _H13    49     1.09469   109.66411  -173.20471
   67    65 S   HC   _H14    50     1.09600   109.88262    68.50998
   68    65 S   C5B  _C10    51     1.46954   109.07073   -51.22314
   69    68 S   C56B _C11    52     1.44273   132.95820  -153.34659
   70    68 S   C5A  _C17    64     1.46246   121.40344    21.78943
   71    69 S   CA   _C12    53     1.37761   134.51395    -4.08572
   72    71 S   HA   _H15    54     1.08359   121.83091    -0.22117
   73    56 S   CT   _C18    65     1.48458   119.99434    -3.72415
   74    73 S   HC   _H4_    66     1.10113   108.77925   -89.93668
   75    71 S   CA   _C13    55     1.40002   117.32518   179.69162
   76    75 S   HA   _H16    56     1.08683   119.46543   179.96044
   77    75 S   CA   _C14    57     1.41189   121.23301    -0.03426
   78    77 S   HA   _H17    58     1.08772   119.17532  -179.96044
   79    77 S   CA   _C15    59     1.39658   121.19593    -0.08156
   80    79 S   HA   _H18    60     1.08411   120.93886  -179.74899
   81    69 S   C56A _C16    61     1.40910   104.47807   175.54297
   82    81 S   NA   _N5_    62     1.40630   110.69695    -0.18975
   83    82 S   H    _H19    63     1.01821   123.81490  -179.20672
  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  14  18   8   9   2  15  11   5   4   4  13
   4   7   5   3   2   1   1  11   4   3   2   1   1  10   6   5
   9   4   3  11  12   7   8   4   4   1   6   3   5   3   4   2
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    50    51    57    58    41    42    47  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    48    73    44    45    46    50    57    41    42    47    52  
   40    43    48    49    56    70    73    74    44    45    46    50    51    57    58    41    42    47  
   43    48    73    44    45    46    50    41  
   42    47    52    53    54    55    43    44    57  
   47    52  
   48    49    56    62    73    44    45    46    50    51    57    58    59    60    61  
   45    46    50    48    56    62    68    70    73    74    82  
   46    56    70    73    74  
   56    70    73    74  
   52    53    54    55  
   49    56    62    63    64    65    70    73    74    50    51    57    58  
   56    62    73    50  
   51    57    58    59    60    61    56  
   57    58    59    60    61  
   53    54    55  
   54    55  
   55  
    0  
   62    63    64    65    66    67    68    82    70    73    74  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    73    74  
   64    65    66    67    68    73  
   65    66    67    68    73  
   66    67    68    69    71    81    82    70    73  
   67    68    69    70  
   68    69    70  
   69    71    72    75    79    81    82    83    70    73    74  
   71    72    75    76    77    79    80    81    82    83    70    73  
   73    74    71    79    81    82    83  
   72    75    76    77    78    79    81    82  
   75    76    77    81  
   74    81    82    83  
   82  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82    83  
   81    82  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.488600   1.9050   1.6860   0.051222218  -2.220205820
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.064100   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   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.290300   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   83   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   268.000  1.529
   43    48   549.000  1.340
   43    50   317.000  1.510
   48    49   340.000  1.080
   48    56   425.000  1.378
   56    62   382.000  1.448
   56    73   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   295.000  1.494
   68    69   380.000  1.440
   68    70   520.000  1.370
   69    71   469.000  1.404
   69    81   447.000  1.419
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   428.000  1.380
   82    83   434.000  1.010
   82    70   427.000  1.381
   70    73   295.000  1.489
   73    74   340.000  1.090
   73    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   50    51   340.000  1.090
   50    57   320.000  1.410
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   745.000  1.250
   41    47   440.000  1.360
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  110.12100
   38    39    44    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    47    80.00000  120.01400
   39    43    48    70.00000  124.00000
   39    43    50    65.00000  117.92700
   39    44    73    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    56    70.00000  124.03900
   43    50    51    35.00000  109.50000
   43    50    57    85.00000  110.90400
   43    50    58    70.00000  112.02700
   48    56    62    50.00000  121.00000
   48    56    73    50.00000  121.00000
   56    48    49    50.00000  112.30800
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    80.00000  111.61500
   56    73    70    75.00000  112.06000
   56    73    74    35.00000  109.50000
   56    73    44    80.00000  111.61500
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.62400
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    55.00000  128.73000
   65    68    70    55.00000  127.77900
   67    65    66    33.00000  107.80000
   68    65    66    45.00000  111.11700
   68    65    67    45.00000  111.11700
   68    69    71    50.00000  134.85500
   68    69    81    80.00000  107.43600
   68    70    82    70.00000  106.30000
   68    70    73    55.00000  130.44200
   69    71    72    35.00000  120.00000
   69    71    75    63.00000  120.00000
   69    81    79    85.00000  122.70000
   69    81    82    70.00000  104.40000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    85.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    70.00000  132.80000
   81    69    71    85.00000  116.20000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  123.10000
   81    82    70    90.00000  107.14200
   82    70    73    65.00000  122.56900
   70    68    69    80.00000  105.82900
   70    82    83    35.00000  120.00000
   70    73    74    45.00000  110.47400
   70    73    44    70.00000  113.44400
   73    56    62    50.00000  115.00000
   73    44    45    37.50000  110.70000
   73    44    46    37.50000  110.70000
   44    39    40    37.50000  110.70000
   44    39    43    70.00000  112.02700
   44    73    74    37.50000  110.70000
   46    44    45    33.00000  107.80000
   50    43    48    70.00000  124.00000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    50    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    47    52    90.00000  111.18400
   47    41    42    65.00000  121.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.09700  1.0 1.0
   33    38    39    43   0.15600 -1.0 2.0
   33    38    39    43  -0.50800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    48  -0.28300  1.0 1.0
   38    39    43    48   0.26700 -1.0 2.0
   38    39    43    48  -0.63300  1.0 3.0
   38    39   -43    50   0.09700  1.0 1.0
   38    39   -43    50   0.15600 -1.0 2.0
   38    39   -43    50  -0.50800  1.0 3.0
   38    39    44    73   0.34400  1.0 1.0
   38    39    44    73   0.09450 -1.0 2.0
   38    39    44    73   0.11100  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39    44    46   0.15000  1.0 3.0
   38    41    47    52  -2.26850  1.0 1.0
   38    41    47    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   39    43    48    49   7.00000 -1.0 2.0
   39    43    48    56   7.00000 -1.0 2.0
   39    43    50    51   0.34800  1.0 3.0
   39    43    50    57   0.09700  1.0 1.0
   39    43    50    57   0.15600 -1.0 2.0
   39    43    50    57  -0.50800  1.0 3.0
   39    43    50    58   0.46850  1.0 1.0
   39    43    50    58   0.08550 -1.0 2.0
   39    43    50    58   0.09800  1.0 3.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    43    50   0.34800  1.0 3.0
   40    39    44    73   0.15000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   43    39    44    73   0.34400  1.0 1.0
   43    39    44    73   0.09450 -1.0 2.0
   43    39    44    73   0.11100  1.0 3.0
   43    39    44    45   0.15000  1.0 3.0
   43    39    44    46   0.15000  1.0 3.0
   43    48    56    62  -0.54700  1.0 1.0
   43    48    56    62   1.23000 -1.0 2.0
   43    48   -56    73  -0.54700  1.0 1.0
   43    48   -56    73   1.23000 -1.0 2.0
   43    50   -57    33  -0.77900  1.0 1.0
   43    50   -57    33  -0.36900 -1.0 2.0
   43    50   -57    33   0.40400  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    60   0.15000  1.0 3.0
   43    50    58    61   0.15000  1.0 3.0
   48    43    50    51   0.00000  1.0 1.0
   48    43    50    57   0.39000  1.0 1.0
   48    43    50    57  -0.05800 -1.0 2.0
   48    43    50    57  -0.55150  1.0 3.0
   48    43    50    58   0.09850  1.0 1.0
   48    43    50    58   0.15250 -1.0 2.0
   48    43    50    58  -0.50650  1.0 3.0
   48    56    62    63   0.00000  1.0 1.0
   48    56    62    64   0.00000  1.0 1.0
   48    56    62    65   0.25450  1.0 1.0
   48    56    62    65  -0.61700 -1.0 2.0
   48    56    62    65  -0.23550  1.0 3.0
   48    56    73    70  -0.12500  1.0 1.0
   48    56    73    70  -0.12500 -1.0 2.0
   48    56    73    70   0.25000  1.0 3.0
   48    56    73    74   0.00000  1.0 1.0
   48    56    73    44   0.25450  1.0 1.0
   48    56    73    44  -0.61700 -1.0 2.0
   48    56    73    44  -0.23550  1.0 3.0
   49    48    56    62   0.00000  1.0 1.0
   49    48    56    73   0.00000  1.0 1.0
   56    62    65    66   0.22950  1.0 3.0
   56    62    65    67   0.22950  1.0 3.0
   56    62    65    68   0.08550  1.0 1.0
   56    62    65    68   1.07500 -1.0 2.0
   56    62    65    68  -0.10950  1.0 3.0
   56    73   -44    39   1.26750  1.0 1.0
   56    73   -44    39  -0.00950 -1.0 2.0
   56    73   -44    39   0.30600  1.0 3.0
   56    73    44    45   0.22950  1.0 3.0
   56    73    44    46   0.22950  1.0 3.0
   62    56    73    70   0.00000  1.0 1.0
   62    56    73    74   0.00000  1.0 1.0
   62    56    73    44   0.00000  1.0 1.0
   62    65    68    69   0.04150 -1.0 2.0
   62    65   -68    70   0.04150 -1.0 2.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.43200  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.43200  1.0 3.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    81   3.62500 -1.0 2.0
   65    68    70    82   3.62500 -1.0 2.0
   65    68    70    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    70   0.00000  1.0 1.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    75   3.62500 -1.0 2.0
   68    69    81    79   3.00000 -1.0 2.0
   68    69   -81    82   3.00000 -1.0 2.0
   68    70   -73    56  -0.06000  1.0 1.0
   68    70   -73    56   0.30500 -1.0 2.0
   68    70   -73    56   0.09200  1.0 3.0
   68    70    73    74   0.00000  1.0 1.0
   68    70    73    44   0.04150 -1.0 2.0
   69    68   -70    82   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   69    71    75    76   3.62500 -1.0 2.0
   69    71    75    77   3.62500 -1.0 2.0
   69    81    82    83   1.52500 -1.0 2.0
   69    81   -82    70   3.62500 -1.0 2.0
   71    69    81    79   3.00000 -1.0 2.0
   71    69    81    82   3.00000 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75   -77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    69   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   1.52500 -1.0 2.0
   79    81    82    70   3.62500 -1.0 2.0
   80    79    81    69   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    69    71    72   3.50000 -1.0 2.0
   81    69   -71    75   3.50000 -1.0 2.0
   81    82   -70    68   3.62500 -1.0 2.0
   81    82    70    73   3.62500 -1.0 2.0
   82    70    73    56   0.04300 -1.0 2.0
   82    70    73    74   0.00000  1.0 1.0
   82    70    73    44   0.39850  1.0 1.0
   82    70    73    44   0.06450 -1.0 2.0
   82    70    73    44   0.32400  1.0 3.0
   83    82    70    68   1.40000 -1.0 2.0
   83    82    70    73   2.00000 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68   -69    81   3.50000 -1.0 2.0
   70    73    44    39  -0.03700  1.0 1.0
   70    73    44    39   0.37200 -1.0 2.0
   70    73    44    39  -0.47300  1.0 3.0
   70    73    44    45   0.43200  1.0 3.0
   70    73    44    46   0.43200  1.0 3.0
   73    56    62    63   0.00000  1.0 1.0
   73    56    62    64   0.00000  1.0 1.0
   73    56   -62    65   0.00000  1.0 1.0
   74    73    44    39   0.15000  1.0 3.0
   74    73    44    45   0.15000  1.0 3.0
   74    73    44    46   0.15000  1.0 3.0
   44    39   -43    48   0.09850  1.0 1.0
   44    39   -43    48   0.15250 -1.0 2.0
   44    39   -43    48  -0.50650  1.0 3.0
   44    39    43    50   0.46850  1.0 1.0
   44    39    43    50   0.08550 -1.0 2.0
   44    39    43    50   0.09800  1.0 3.0
   50    43    48    49   7.00000 -1.0 2.0
   50    43    48    56   7.00000 -1.0 2.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59   0.23400  1.0 3.0
   57    50    58    60   0.23400  1.0 3.0
   57    50    58    61   0.23400  1.0 3.0
   58    50    57    33   0.06250  1.0 1.0
   58    50    57    33  -0.01100 -1.0 2.0
   58    50    57    33   0.28050  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43  -0.28300  1.0 1.0
   41    38    39    43   0.26700 -1.0 2.0
   41    38    39    43  -0.63300  1.0 3.0
   41    38    39    44   0.09850  1.0 1.0
   41    38    39    44   0.15250 -1.0 2.0
   41    38    39    44  -0.50650  1.0 3.0
   41    47    52    53   0.08050  1.0 3.0
   41    47    52    54   0.08050  1.0 3.0
   41    47    52    55   0.08050  1.0 3.0
   42    41    47    52   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   39    50    43    48   1.10000 -1.0 2.0
   56    49    48    43   1.10000 -1.0 2.0
   73    48    56    62   1.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    81    69    68   4.00000 -1.0 2.0
   75    72    71    69   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    69   4.00000 -1.0 2.0
   83    81    82    70   1.00000 -1.0 2.0
   82    73    70    68   4.00000 -1.0 2.0
   42    47    41    38   1.10000 -1.0 2.0
END
