* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    162    267     491
    1     0 S   NP   _N1_     1    28.73445    96.47847   -23.87357
    2     1 S   H    _HN1     2     1.02790   109.04044   -92.24307
    3     1 S   H    _H1_     3     1.02948    70.91071    11.24665
    4     1 S   H    _H2_     4     1.02828    37.97267   172.83333
    5     1 S   CT   _CA1     5     1.50113   135.32099   111.32738
    6     5 S   HC   _HA1     6     1.09574   105.18368    94.58970
    7     5 S   CO3  _C1_     7     1.53775   112.45616   -25.63603
    8     7 S   O2Z  _O11     8     1.26371   115.01125   -43.02436
    9     7 S   O2Z  _O12     9     1.26238   114.93729   136.06498
   10     5 S   CT   _CB1    10     1.53071   107.41554  -147.44839
   11    10 S   HC   HB11    11     1.09836   109.34037   -49.72643
   12    10 S   HC   HB12    12     1.09811   110.46838    66.86972
   13    10 S   CT   _CG1    13     1.53005   112.62336  -170.68991
   14    13 S   HC   HG11    14     1.09577   110.67328   -66.43388
   15    13 S   HC   HG12    15     1.09671   109.74887    52.80749
   16    13 S   C    _CD1    16     1.51806   112.12684   173.25744
   17    16 S   O    _OE1    17     1.22744   123.24182     9.10718
   18    16 S   N    _N2_    18     1.38649   111.74521  -170.91591
   19    18 S   H    _HN2    19     1.01581   118.96921     1.33413
   20    18 S   CT1  _CA2    20     1.46201   123.37603   177.02968
   21    20 S   HC   _HA2    21     1.09740   109.30825     5.27050
   22    20 S   C    _C2_    22     1.53611   108.82083  -110.21711
   23    22 S   O    _O2_    23     1.23072   122.24707  -148.91800
   24    20 S   CT   _CB2    32     1.53298   111.58985   127.23335
   25    24 S   HC   HB21    33     1.09527   110.09382    56.66787
   26    24 S   HC   HB22    34     1.09514   110.09468   175.65476
   27    22 S   N    _N3_    24     1.38315   113.80856    38.60191
   28    27 S   H    _HN3    25     1.01563   119.60493    -3.31671
   29    24 S   S    _SG2    35     1.82877   111.45286   -64.70969
   30    27 S   CT   _CA3    26     1.45289   123.26258   177.12594
   31    30 S   HC   HA31    27     1.09548   107.51164   -64.69217
   32    30 S   HC   HA32    28     1.09555   107.99338    51.76183
   33    29 S   CT   _C14    36     1.86390    99.61070  -179.87180
   34    33 S   HC   _H3_    37     1.09734   106.02530    28.07122
   35    30 S   CO3  _C3_    29     1.52971   114.04743   173.75433
   36    35 S   O2Z  _O31    30     1.26381   116.06432    -0.67724
   37    35 S   O2Z  _O32    31     1.26424   114.42080   179.38706
   38    33 S   CM   _C5_    38     1.51112   106.31383   -83.88883
   39    38 S   HC   _H26    39     1.08958   117.87113    36.42052
   40    38 S   CMA  _C6_    40     1.34407   124.69702  -146.19254
   41    40 S   OM   _O20    41     1.25955   130.69448  -178.67781
   42    40 S   CM   _C4_    42     1.45291   117.76173    -0.42058
   43    42 S   HC   _H25    43     1.09063   117.62682  -171.16994
   44    42 S   CM   _C7_    44     1.34655   123.96678    10.80629
   45    44 S   CT   _C9_    45     1.50685   119.17158   176.06528
   46    45 S   HC   _H27    46     1.09636   109.39348  -106.70657
   47    45 S   HC   _H28    47     1.09725   111.33300     9.86253
   48    45 S   CT   _C11    48     1.51931   112.16297   131.45318
   49    48 S   HC   _H31    49     1.09492   107.18737   175.62359
   50    48 S   HC   _H32    50     1.09768   109.65952   -68.42432
   51    48 S   CT   _C15    51     1.53768   112.27307    54.06256
   52    51 S   HC   _H38    52     1.09690   107.63872    61.74121
   53    51 S   CT   _C16    53     1.56448   109.52155   -56.48300
   54    53 S   HC   _H39    54     1.10220   105.55156   -60.59442
   55    53 S   CT   _C12    55     1.54409   111.02179  -174.83643
   56    55 S   HC   _H33    56     1.09375   110.79044   -72.53427
   57    55 S   HC   _H34    57     1.09292   110.19080   169.46819
   58    33 S   CT   _C19    78     1.59762   115.06418   147.12691
   59    55 S   CT   _C13    58     1.52485   113.08232    50.35652
   60    59 S   HC   _H35    59     1.09898   109.17190    67.50403
   61    59 S   HC   _H36    60     1.09787   109.68982  -178.08685
   62    58 S   CT   _C21    79     1.55212   112.14807    30.59085
   63    62 S   HC   _H42    80     1.09305   112.98006   -64.25691
   64    62 S   HC   _H43    81     1.09468   112.55257   176.17520
   65    62 S   HC   _H44    82     1.09704   110.95234    56.63510
   66    59 S   CT   _C20    61     1.53538   113.09080   -54.65429
   67    51 S   CT   _C17    62     1.56166   111.65850  -179.96574
   68    67 S   HC   _H40    63     1.10239   106.26419    62.50901
   69    66 S   CT   _C22    74     1.53816   109.73250   -69.80274
   70    69 S   HC   _H45    75     1.09173   112.75112  -176.53717
   71    69 S   HC   _H46    76     1.09313   112.78112    61.86991
   72    69 S   HC   _H47    77     1.09656   110.16512   -58.79853
   73    67 S   CT   _C18    64     1.54037   114.52356   -54.07551
   74    73 S   HC   _H41    65     1.09651   110.37520   -33.54075
   75    73 S   CT   _C10    66     1.52706   114.21725  -156.52626
   76    75 S   HC   _H29    67     1.09695   110.33551  -140.53867
   77    75 S   HC   _H30    68     1.09512   110.60259   101.87223
   78    73 S   OH   _O23    72     1.43146   108.24390    83.15256
   79    78 S   HO   _H48    73     0.97268   107.69425  -172.03484
   80    75 S   CO4  _C8_    69     1.50504   114.62205   -18.95065
   81    80 S   O    _O21    70     1.22774   121.88965  -143.19845
   82    66 S   OS   _O22    71     1.45283   105.37068   173.44504
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  16   7  11   6   5   6  12   5   4   3   2   1
   1  13  14   6   6   3   2   1   9   6   7   5   4   2   1   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    53    58    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    53    54    55    58    62    63    64    65  
   38    39    40    44    53    58    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    53    58    62  
   40    41    42    58  
   41    42    43    44    45    58  
   42    43    44  
   43    44    45    46    47    48    53    58    62  
   44    45    58  
   45    46    47    48    49    50    51    53    54    55    58    62    63    64    65  
   46    47    48    49    50    51    52    53    67    58    62  
   47    48    49    50    51    58  
   48    49    50    51    58  
   49    50    51    52    53    54    55    66    67    68    73    58  
   50    51    52    53    67  
   51    52    53    67  
   52    53    54    55    56    57    59    66    67    68    73    74    75    82    78    69    58    62  
   53    54    55    66    67    68    73    58  
   54    55    56    57    59    60    61    66    67    68    73    58    62    63    64    65  
   55    56    57    59    67    58    62  
   56    57    59    60    61    66    67    82    69    58    62  
   57    59    60    61    66    58  
   59    60    61    66    58  
   62    63    64    65    59    67  
   60    61    66    67    68    73    80    82    69    70    71    72  
   61    66    67    82    69  
   66    67    82    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    73    74    75    80    81    82    78    69    70    71    72  
   68    73    74    75    76    77    80    82    78    79    69    70    71    72  
   73    74    75    82    78    69  
   70    71    72    73    80    82  
   71    72    82  
   72    82  
   82  
   74    75    76    77    80    81    82    78    79  
   75    76    77    80    78    79  
   76    77    80    81    82    78    79  
   77    80    81    82    78  
   80    81    82    78  
   79    80  
    0  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    58   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    58   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    67   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   268.000  1.529
   66    82   320.000  1.410
   66    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   317.000  1.522
   80    81   570.000  1.229
   80    82   214.000  1.327
   78    79   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    58    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    58    44    70.00000  112.02700
   33    58    53    58.35000  112.70000
   33    58    62    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    58    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    58    53    70.00000  112.02700
   44    58    62    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    67    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    58.35000  112.70000
   51    67    66    58.35000  112.70000
   51    67    68    37.50000  110.70000
   51    67    73    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    59    58.35000  112.70000
   53    58    62    58.35000  112.70000
   55    53    54    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    66    67    58.35000  112.70000
   59    66    82    50.00000  109.50000
   59    66    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    73    58.35000  112.70000
   66    82    80    83.00000  116.90000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   67    51    52    37.50000  110.70000
   67    51    53    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    75    58.35000  112.70000
   67    73    78    50.00000  109.50000
   73    67    68    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    80    63.00000  111.10000
   73    78    79    55.00000  108.50000
   75    73    74    37.50000  110.70000
   75    80    81    80.00000  120.40000
   75    80    82    81.00000  111.40000
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   82    66    67    50.00000  109.50000
   82    80    81    83.00000  123.40000
   78    73    74    35.00000  109.50000
   78    73    75    50.00000  109.50000
   69    66    67    58.35000  112.70000
   69    66    82    50.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   58    33    34    37.50000  110.70000
   58    33    38    70.00000  112.02700
   58    44    45    65.00000  117.92700
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    58    44   0.56750  1.0 1.0
   29    33    58    44  -0.07550 -1.0 2.0
   29    33    58    44   0.20000  1.0 3.0
   29    33    58    53   0.44750  1.0 1.0
   29    33    58    53  -0.17800 -1.0 2.0
   29    33    58    53   0.20200  1.0 3.0
   29    33    58    62   0.44750  1.0 1.0
   29    33    58    62  -0.17800 -1.0 2.0
   29    33    58    62   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    58    62    63   0.15000  1.0 3.0
   33    58    62    64   0.15000  1.0 3.0
   33    58    62    65   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    58    44   0.15000  1.0 3.0
   34    33    58    53   0.15000  1.0 3.0
   34    33    58    62   0.15000  1.0 3.0
   38    33    58    44   0.31000  1.0 1.0
   38    33    58    44   0.14700 -1.0 2.0
   38    33    58    44   0.07550  1.0 3.0
   38    33    58    53   0.34400  1.0 1.0
   38    33    58    53   0.09450 -1.0 2.0
   38    33    58    53   0.11100  1.0 3.0
   38    33    58    62   0.34400  1.0 1.0
   38    33    58    62   0.09450 -1.0 2.0
   38    33    58    62   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    58   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    45    46   0.00000  1.0 1.0
   42    44    45    47   0.00000  1.0 1.0
   42    44    45    48   0.09850  1.0 1.0
   42    44    45    48   0.15250 -1.0 2.0
   42    44    45    48  -0.50650  1.0 3.0
   42    44   -58    33   0.09850  1.0 1.0
   42    44   -58    33   0.15250 -1.0 2.0
   42    44   -58    33  -0.50650  1.0 3.0
   42    44    58    53   0.09850  1.0 1.0
   42    44    58    53   0.15250 -1.0 2.0
   42    44    58    53  -0.50650  1.0 3.0
   42    44    58    62   0.09850  1.0 1.0
   42    44    58    62   0.15250 -1.0 2.0
   42    44    58    62  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    58   7.00000 -1.0 2.0
   44    45    48    49   0.15000  1.0 3.0
   44    45    48    50   0.15000  1.0 3.0
   44    45    48    51   0.34400  1.0 1.0
   44    45    48    51   0.09450 -1.0 2.0
   44    45    48    51   0.11100  1.0 3.0
   44    58    62    63   0.15000  1.0 3.0
   44    58    62    64   0.15000  1.0 3.0
   44    58    62    65   0.15000  1.0 3.0
   45    44    58    33   0.46850  1.0 1.0
   45    44    58    33   0.08550 -1.0 2.0
   45    44    58    33   0.09800  1.0 3.0
   45    44    58    53   0.46850  1.0 1.0
   45    44    58    53   0.08550 -1.0 2.0
   45    44    58    53   0.09800  1.0 3.0
   45    44    58    62   0.46850  1.0 1.0
   45    44    58    62   0.08550 -1.0 2.0
   45    44    58    62   0.09800  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48   -51    53   0.56750  1.0 1.0
   45    48   -51    53  -0.07550 -1.0 2.0
   45    48   -51    53   0.20000  1.0 3.0
   45    48    51    67   0.56750  1.0 1.0
   45    48    51    67  -0.07550 -1.0 2.0
   45    48    51    67   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    55   0.56750  1.0 1.0
   48    51    53    55  -0.07550 -1.0 2.0
   48    51    53    55   0.20000  1.0 3.0
   48    51    53    58   0.56750  1.0 1.0
   48    51    53    58  -0.07550 -1.0 2.0
   48    51    53    58   0.20000  1.0 3.0
   48    51    67    66   0.56750  1.0 1.0
   48    51    67    66  -0.07550 -1.0 2.0
   48    51    67    66   0.20000  1.0 3.0
   48    51    67    68   0.15000  1.0 3.0
   48    51    67    73   0.56750  1.0 1.0
   48    51    67    73  -0.07550 -1.0 2.0
   48    51    67    73   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    67   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    67   0.15000  1.0 3.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    57   0.15000  1.0 3.0
   51    53    55    59   0.56750  1.0 1.0
   51    53    55    59  -0.07550 -1.0 2.0
   51    53    55    59   0.20000  1.0 3.0
   51    53    58    33   0.56750  1.0 1.0
   51    53    58    33  -0.07550 -1.0 2.0
   51    53    58    33   0.20000  1.0 3.0
   51    53   -58    44   0.34400  1.0 1.0
   51    53   -58    44   0.09450 -1.0 2.0
   51    53   -58    44   0.11100  1.0 3.0
   51    53    58    62   0.56750  1.0 1.0
   51    53    58    62  -0.07550 -1.0 2.0
   51    53    58    62   0.20000  1.0 3.0
   51    67    73    74   0.15000  1.0 3.0
   51    67    73    75   0.56750  1.0 1.0
   51    67    73    75  -0.07550 -1.0 2.0
   51    67    73    75   0.20000  1.0 3.0
   51    67    73    78   0.86500  1.0 1.0
   51    67    73    78  -0.17500 -1.0 2.0
   51    67    73    78   0.20800  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    67    66   0.15000  1.0 3.0
   52    51    67    68   0.15000  1.0 3.0
   52    51    67    73   0.15000  1.0 3.0
   53    51    67    66   0.56750  1.0 1.0
   53    51    67    66  -0.07550 -1.0 2.0
   53    51    67    66   0.20000  1.0 3.0
   53    51    67    68   0.15000  1.0 3.0
   53    51    67    73   0.56750  1.0 1.0
   53    51    67    73  -0.07550 -1.0 2.0
   53    51    67    73   0.20000  1.0 3.0
   53    55    59    60   0.15000  1.0 3.0
   53    55    59    61   0.15000  1.0 3.0
   53    55   -59    66   0.56750  1.0 1.0
   53    55   -59    66  -0.07550 -1.0 2.0
   53    55   -59    66   0.20000  1.0 3.0
   53    58    62    63   0.15000  1.0 3.0
   53    58    62    64   0.15000  1.0 3.0
   53    58    62    65   0.15000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    58    33   0.15000  1.0 3.0
   54    53    58    44   0.15000  1.0 3.0
   54    53    58    62   0.15000  1.0 3.0
   55    53    58    33   0.56750  1.0 1.0
   55    53    58    33  -0.07550 -1.0 2.0
   55    53    58    33   0.20000  1.0 3.0
   55    53    58    44   0.34400  1.0 1.0
   55    53    58    44   0.09450 -1.0 2.0
   55    53    58    44   0.11100  1.0 3.0
   55    53    58    62   0.56750  1.0 1.0
   55    53    58    62  -0.07550 -1.0 2.0
   55    53    58    62   0.20000  1.0 3.0
   55    59    66    67   0.56750  1.0 1.0
   55    59    66    67  -0.07550 -1.0 2.0
   55    59    66    67   0.20000  1.0 3.0
   55    59    66    82   0.62750  1.0 1.0
   55    59    66    82  -0.30950 -1.0 2.0
   55    59    66    82   0.27300  1.0 3.0
   55    59    66    69   0.56750  1.0 1.0
   55    59    66    69  -0.07550 -1.0 2.0
   55    59    66    69   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    66   0.15000  1.0 3.0
   59    66   -67    51   0.56750  1.0 1.0
   59    66   -67    51  -0.07550 -1.0 2.0
   59    66   -67    51   0.20000  1.0 3.0
   59    66    67    68   0.15000  1.0 3.0
   59    66    67    73   0.56750  1.0 1.0
   59    66    67    73  -0.07550 -1.0 2.0
   59    66    67    73   0.20000  1.0 3.0
   59    66    82    80  -0.25900  1.0 1.0
   59    66    82    80  -0.47000 -1.0 2.0
   59    66    82    80   0.11750  1.0 3.0
   59    66    69    70   0.15000  1.0 3.0
   59    66    69    71   0.15000  1.0 3.0
   59    66    69    72   0.15000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    82   0.23400  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    82   0.23400  1.0 3.0
   61    59    66    69   0.15000  1.0 3.0
   66    67    73    74   0.15000  1.0 3.0
   66    67    73    75   0.56750  1.0 1.0
   66    67    73    75  -0.07550 -1.0 2.0
   66    67    73    75   0.20000  1.0 3.0
   66    67    73    78   0.86500  1.0 1.0
   66    67    73    78  -0.17500 -1.0 2.0
   66    67    73    78   0.20800  1.0 3.0
   67    51    53    54   0.15000  1.0 3.0
   67    51   -53    55   0.56750  1.0 1.0
   67    51   -53    55  -0.07550 -1.0 2.0
   67    51   -53    55   0.20000  1.0 3.0
   67    51    53    58   0.56750  1.0 1.0
   67    51    53    58  -0.07550 -1.0 2.0
   67    51    53    58   0.20000  1.0 3.0
   67    66    82    80  -0.25900  1.0 1.0
   67    66    82    80  -0.47000 -1.0 2.0
   67    66    82    80   0.11750  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    73    75    76   0.15000  1.0 3.0
   67    73    75    77   0.15000  1.0 3.0
   67    73   -75    80  -0.95700  1.0 1.0
   67    73   -75    80  -0.18200 -1.0 2.0
   67    73   -75    80   0.29450  1.0 3.0
   67    73    78    79  -0.11600  1.0 1.0
   67    73    78    79  -0.09450 -1.0 2.0
   67    73    78    79   0.21250  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    78   0.23400  1.0 3.0
   73    75    80    81   0.30150 -1.0 2.0
   73    75    80    82   0.36750  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    80  -0.11250  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   75    73    78    79  -0.11600  1.0 1.0
   75    73    78    79  -0.09450 -1.0 2.0
   75    73    78    79   0.21250  1.0 3.0
   75    80   -82    66   1.63150  1.0 1.0
   75    80   -82    66   2.92000 -1.0 2.0
   76    75    80    81   0.00000  1.0 1.0
   76    75    80    82   0.00000  1.0 1.0
   77    75    80    81   0.00000  1.0 1.0
   77    75    80    82   0.00000  1.0 1.0
   81    80    82    66   3.00000 -1.0 2.0
   82    66    67    51   0.62750  1.0 1.0
   82    66    67    51  -0.30950 -1.0 2.0
   82    66    67    51   0.27300  1.0 3.0
   82    66    67    68   0.23400  1.0 3.0
   82    66   -67    73   0.62750  1.0 1.0
   82    66   -67    73  -0.30950 -1.0 2.0
   82    66   -67    73   0.27300  1.0 3.0
   82    66    69    70   0.23400  1.0 3.0
   82    66    69    71   0.23400  1.0 3.0
   82    66    69    72   0.23400  1.0 3.0
   78    73    75    76   0.23400  1.0 3.0
   78    73    75    77   0.23400  1.0 3.0
   78    73    75    80  -0.09450  1.0 1.0
   78    73    75    80  -1.12950 -1.0 2.0
   78    73    75    80   0.54000  1.0 3.0
   69    66    67    51   0.56750  1.0 1.0
   69    66    67    51  -0.07550 -1.0 2.0
   69    66    67    51   0.20000  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    73   0.56750  1.0 1.0
   69    66    67    73  -0.07550 -1.0 2.0
   69    66    67    73   0.20000  1.0 3.0
   69    66    82    80  -0.25900  1.0 1.0
   69    66    82    80  -0.47000 -1.0 2.0
   69    66    82    80   0.11750  1.0 3.0
   58    33    38    39   0.00000  1.0 1.0
   58    33   -38    40   0.09850  1.0 1.0
   58    33   -38    40   0.15250 -1.0 2.0
   58    33   -38    40  -0.50650  1.0 3.0
   58    44    45    46   0.34800  1.0 3.0
   58    44    45    47   0.34800  1.0 3.0
   58    44   -45    48   0.46850  1.0 1.0
   58    44   -45    48   0.08550 -1.0 2.0
   58    44   -45    48   0.09800  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    59   0.56750  1.0 1.0
   58    53    55    59  -0.07550 -1.0 2.0
   58    53    55    59   0.20000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    58    44    42   1.10000 -1.0 2.0
   75    82    80    81  10.50000 -1.0 2.0
END
