* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    145    228     423
    1     0 S   NP   _N1_     1    29.18100    98.00440   -21.86977
    2     1 S   H    _HN1     2     1.02953    65.85272    33.26542
    3     1 S   H    _H1_     3     1.02827    52.99768   171.01336
    4     1 S   H    _H2_     4     1.02783    90.44868   -76.70248
    5     1 S   CT   _CA1     5     1.50072   156.40627   119.10851
    6     5 S   HC   _HA1     6     1.09593   105.17579   101.15727
    7     5 S   CO3  _C1_     7     1.53771   112.69265   -18.79523
    8     7 S   O2Z  _O11     8     1.26328   115.07760   -40.76909
    9     7 S   O2Z  _O12     9     1.26318   114.92260   138.65791
   10     5 S   CT   _CB1    10     1.53134   107.43449  -141.12999
   11    10 S   HC   HB11    11     1.09813   109.13380   -53.24752
   12    10 S   HC   HB12    12     1.09809   110.52385    63.32918
   13    10 S   CT   _CG1    13     1.52861   112.51988  -174.47820
   14    13 S   HC   HG11    14     1.09532   110.16838   -68.97383
   15    13 S   HC   HG12    15     1.09684   109.94663    50.16097
   16    13 S   C    _CD1    16     1.51720   112.85916   170.74658
   17    16 S   O    _OE1    17     1.22668   123.51587     2.18713
   18    16 S   N    _N2_    18     1.38582   111.21166  -177.50534
   19    18 S   H    _HN2    19     1.01465   118.78204     0.81613
   20    18 S   CT1  _CA2    20     1.46019   123.90885   177.09687
   21    20 S   HC   _HA2    21     1.09705   109.42893     1.68191
   22    20 S   C    _C2_    22     1.53595   108.65929  -114.17764
   23    22 S   O    _O2_    23     1.23075   122.19503  -150.98512
   24    20 S   CT   _CB2    32     1.53243   111.30902   123.98929
   25    24 S   HC   HB21    33     1.09503   109.88160    56.51601
   26    24 S   HC   HB22    34     1.09474   110.03954   175.46287
   27    22 S   N    _N3_    24     1.38291   113.86270    36.27957
   28    27 S   H    _HN3    25     1.01584   119.53251    -3.26992
   29    24 S   S    _SG2    35     1.82766   111.73072   -64.57616
   30    27 S   CT   _CA3    26     1.45271   123.22297   177.50331
   31    30 S   HC   HA31    27     1.09548   107.51490   -64.62600
   32    30 S   HC   HA32    28     1.09559   107.97593    51.81896
   33    29 S   CT   _C11    36     1.84220    99.83647   166.14245
   34    33 S   HC   _H3_    37     1.09590   105.98950   -56.89611
   35    30 S   CO3  _C3_    29     1.52955   114.07488   173.77909
   36    35 S   O2Z  _O31    30     1.26378   116.06413    -1.11557
   37    35 S   O2Z  _O32    31     1.26429   114.41625   178.94780
   38    33 S   CA   _C7_    38     1.51938   111.74398    62.03069
   39    33 S   CT   _C12    54     1.53843   110.05155  -173.63086
   40    39 S   HC   _H11    55     1.09743   112.10163   -51.94378
   41    39 S   HC   _H12    56     1.09888   109.98225  -169.50133
   42    38 S   CA   _C8_    39     1.40307   121.71109    68.94650
   43    42 S   HA   _H8_    40     1.08721   120.63947    -0.13122
   44    39 S   C    _C13    57     1.51812   112.98125    70.68423
   45    44 S   O    _O35    58     1.22851   121.70863  -104.46394
   46    42 S   CA   _C9_    41     1.39386   120.61476  -179.86583
   47    46 S   HA   _H9_    42     1.08622   119.34299  -179.91153
   48    44 S   N    _N4_    59     1.38409   113.00797    76.13011
   49    48 S   H    _H13    60     1.01500   119.14513     3.12982
   50    46 S   CA   _C10    43     1.39403   119.69892     0.27483
   51    48 S   CT   _C14    61     1.45328   122.80514   176.07205
   52    51 S   HC   _H14    62     1.09547   110.00447    14.51819
   53    51 S   HC   _H15    63     1.09557   106.02231  -101.53022
   54    50 S   CA   _C5_    44     1.39884   121.07596     0.17471
   55    50 S   OH   _O34    52     1.37022   119.82567   179.91844
   56    55 S   HO   _H10    53     0.97206   108.81573    -0.06561
   57    51 S   CT   _C15    64     1.52686   112.33324   139.12467
   58    57 S   HC   _H16    65     1.09675   110.08785    51.73099
   59    57 S   HC   _H17    66     1.09763   108.60636   167.72274
   60    38 S   CA   _C6_    45     1.40826   119.48585  -110.57665
   61    60 S   HA   _H7_    46     1.08619   118.21447    -0.24228
   62    54 S   OS   _O33    47     1.37054   116.09108   179.69417
   63    57 S   C5B  _C16    67     1.49605   113.24970   -71.90569
   64    62 S   CT   _C4_    48     1.42214   117.12920  -174.49551
   65    64 S   HC   _H4_    49     1.09425   107.76430   176.96410
   66    64 S   HC   _H5_    50     1.09507   111.20197    59.18621
   67    64 S   HC   _H6_    51     1.09487   111.06452   -65.35629
   68    63 S   C5A  _C17    68     1.38107   125.79774   -79.48161
   69    68 S   HA   _H18    69     1.08153   131.23851     0.87111
   70    68 S   NA   _N5_    70     1.36739   108.55144  -178.89677
   71    70 S   H    _H19    71     1.01295   124.66799  -179.64502
   72    70 S   C56A _C18    72     1.37484   110.19109    -0.12195
   73    72 S   CA   _C23    73     1.40024   129.98879   179.66487
   74    73 S   HA   _H22    74     1.08528   121.37169    -0.00000
   75    73 S   CA   _C22    75     1.39675   117.70626   179.64009
   76    75 S   HA   _H21    76     1.08717   119.34776  -179.61641
   77    75 S   CA   _C21    77     1.39065   120.47359     0.56441
   78    77 S   CA   _C20    78     1.39884   121.57455    -0.23903
   79    78 S   HA   _H20    79     1.08557   120.84522   179.97202
   80    77 S   OH   _O36    81     1.36818   117.90872   179.71538
   81    80 S   HO   _H23    82     0.97219   108.54018  -176.61083
   82    63 S   C56B _C19    80     1.43351   127.46368   101.40214
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   7   3   7   3   8
   4   7   8   5   4   9   3   1   9   4   3   3   1   4  10   3
   2   1   1   7   4   7   3   8   7   4   7   3   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    50    54    60    61    62    39    40    41    44  
   40    41    44    45    48    49    51    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    50    54    60    61    55  
   46    47    50    60  
   45    48    49    51    52    53    57  
   48    49    51  
   47    50    54    60    62    55    56  
   50    54    55  
   49    51    52    53    57    58    59    63  
   51    52    53    57  
   54    60    61    62    64    55    56  
   52    53    57    58    59    63    68    82  
   53    57    58    59    63  
   57    58    59    63  
   60    61    62    64    65    66    67    55    56  
   56    60    62  
    0  
   58    59    63    68    69    70    72    78    82  
   59    63    68    82  
   63    68    82  
   61    62    64  
   62  
   64    65    66    67  
   68    69    70    71    72    73    77    78    79    82  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    78    82  
   70    71    72    82  
   71    72    73    74    75    78    82  
   72    73    82  
   73    74    75    76    77    78    79    82  
   74    75    76    77    78    82    80  
   75    76    77    82  
   76    77    78    79    82    80    81  
   77    78    80  
   78    79    82    80    81  
   79    82    80    81  
   82    80  
   81    82  
    0  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.064100   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   70   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   71   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.076700   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    55   450.000  1.364
   54    60   469.000  1.400
   54    62   450.000  1.364
   60    61   367.000  1.080
   62    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    51   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   295.000  1.494
   63    68   520.000  1.370
   63    82   380.000  1.440
   68    69   367.000  1.080
   68    70   427.000  1.381
   70    71   434.000  1.010
   70    72   428.000  1.380
   72    73   469.000  1.400
   72    82   447.000  1.419
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   78    82   469.000  1.404
   80    81   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    54    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    55    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    60    63.00000  120.00000
   50    54    62    70.00000  120.00000
   50    55    56    35.00000  113.00000
   54    60    61    35.00000  120.00000
   54    62    64    75.00000  111.00000
   60    38    42    63.00000  120.00000
   62    54    60    70.00000  120.00000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   55    50    54    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  119.80000
   44    48    51    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    57    70.00000  110.72300
   51    48    49    38.00000  118.40000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    63    70.00000  112.62400
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    63    68    55.00000  127.77900
   57    63    82    55.00000  128.73000
   59    57    58    33.00000  107.80000
   63    57    58    45.00000  111.11700
   63    57    59    45.00000  111.11700
   63    68    69    35.00000  130.70000
   63    68    70    70.00000  106.30000
   63    82    72    80.00000  107.43600
   63    82    78    50.00000  134.85500
   68    70    71    35.00000  120.00000
   68    70    72    90.00000  107.14200
   70    68    69    35.00000  121.60000
   70    72    73    70.00000  132.80000
   70    72    82    70.00000  104.40000
   72    70    71    35.00000  123.10000
   72    73    74    35.00000  120.00000
   72    73    75    85.00000  120.00000
   72    82    78    85.00000  116.20000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    80    70.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    82    63.00000  120.00000
   77    80    81    35.00000  113.00000
   82    63    68    80.00000  105.82900
   82    72    73    85.00000  122.70000
   82    78    79    35.00000  120.00000
   80    77    78    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    54   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   42    38    60    54   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46   -50    54   3.62500 -1.0 2.0
   42    46    50    55   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50    54    60   3.62500 -1.0 2.0
   46    50    54    62   3.62500 -1.0 2.0
   46    50    55    56   0.84100 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    54   -60    38   3.62500 -1.0 2.0
   50    54    60    61   3.62500 -1.0 2.0
   50    54    62    64   1.63200 -1.0 2.0
   54    50    55    56   0.84100 -1.0 2.0
   54    62    64    65   0.08050  1.0 3.0
   54    62    64    66   0.08050  1.0 3.0
   54    62    64    67   0.08050  1.0 3.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   60    54    62    64   1.63200 -1.0 2.0
   62    54    60    38   3.62500 -1.0 2.0
   62    54    60    61   3.62500 -1.0 2.0
   55    50    54    60   3.62500 -1.0 2.0
   55    50    54    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    49   2.45000 -1.0 2.0
   39    44    48    51   1.49850  1.0 1.0
   39    44    48    51   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    53   0.00000  1.0 1.0
   44    48    51    57  -0.43950  1.0 1.0
   44    48    51    57  -0.08100 -1.0 2.0
   44    48    51    57   0.03350  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    51   3.04450 -1.0 2.0
   48    51    57    58   0.15000  1.0 3.0
   48    51    57    59   0.15000  1.0 3.0
   48    51    57    63   0.08550  1.0 1.0
   48    51    57    63   1.07500 -1.0 2.0
   48    51    57    63  -0.10950  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   49    48    51    57   0.00000  1.0 1.0
   51    57    63    68   0.04150 -1.0 2.0
   51    57    63    82   0.04150 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    63   0.43200  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    63   0.43200  1.0 3.0
   57    63    68    69   3.62500 -1.0 2.0
   57    63    68    70   3.62500 -1.0 2.0
   57    63    82    72   3.62500 -1.0 2.0
   57    63    82    78   3.62500 -1.0 2.0
   58    57    63    68   0.00000  1.0 1.0
   58    57    63    82   0.00000  1.0 1.0
   59    57    63    68   0.00000  1.0 1.0
   59    57    63    82   0.00000  1.0 1.0
   63    68    70    71   1.40000 -1.0 2.0
   63    68   -70    72   3.62500 -1.0 2.0
   68    63   -82    72   3.50000 -1.0 2.0
   68    63    82    78   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    82   3.62500 -1.0 2.0
   69    68    70    71   2.00000 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72   -82    63   3.00000 -1.0 2.0
   70    72    82    78   3.00000 -1.0 2.0
   71    70    72    73   1.52500 -1.0 2.0
   71    70    72    82   1.52500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    82    63   3.00000 -1.0 2.0
   73    72    82    78   3.00000 -1.0 2.0
   73    75   -77    78   3.62500 -1.0 2.0
   73    75    77    80   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    78    82   3.62500 -1.0 2.0
   75    77    80    81   0.84100 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    80   3.62500 -1.0 2.0
   77    78    82    63   3.62500 -1.0 2.0
   77    78   -82    72   3.50000 -1.0 2.0
   78    77    80    81   0.84100 -1.0 2.0
   79    78    82    63   3.62500 -1.0 2.0
   79    78    82    72   3.50000 -1.0 2.0
   82    63    68    69   3.62500 -1.0 2.0
   82    63   -68    70   3.62500 -1.0 2.0
   82    72    73    74   3.62500 -1.0 2.0
   82    72   -73    75   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    77    78    82   3.62500 -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
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   54    55    50    46   4.00000 -1.0 2.0
   60    62    54    50   4.00000 -1.0 2.0
   54    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   49    44    48    51   1.00000 -1.0 2.0
   68    82    63    57   4.00000 -1.0 2.0
   70    69    68    63   1.10000 -1.0 2.0
   71    68    70    72   1.00000 -1.0 2.0
   73    82    72    70   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    80    77    75   4.00000 -1.0 2.0
   82    79    78    77   1.10000 -1.0 2.0
   72    78    82    63   4.00000 -1.0 2.0
END
