* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    242     462
    1     0 S   NP   _N1_     1    29.34190    94.69828   -24.89508
    2     1 S   H    _HN1     2     1.02830    26.62851  -177.94234
    3     1 S   H    _H1_     3     1.02784   114.73103   -97.40129
    4     1 S   H    _H2_     4     1.02954    80.61403     8.58259
    5     1 S   CT   _CA1     5     1.50112   124.71770   116.96960
    6     5 S   HC   _HA1     6     1.09573   105.20831    84.95692
    7     5 S   CO3  _C1_     7     1.53791   112.43786   -35.29261
    8     7 S   O2Z  _O11     8     1.26370   115.00467   -42.92487
    9     7 S   O2Z  _O12     9     1.26238   114.94649   136.23002
   10     5 S   CT   _CB1    10     1.53087   107.42990  -157.05806
   11    10 S   HC   HB11    11     1.09831   109.38372   -49.82329
   12    10 S   HC   HB12    12     1.09815   110.44053    66.78172
   13    10 S   CT   _CG1    13     1.52994   112.60548  -170.81573
   14    13 S   HC   HG11    14     1.09584   110.59747   -65.08499
   15    13 S   HC   HG12    15     1.09668   109.82659    54.15208
   16    13 S   C    _CD1    16     1.51791   112.25298   174.59644
   17    16 S   O    _OE1    17     1.22738   123.28542     5.33384
   18    16 S   N    _N2_    18     1.38659   111.66144  -174.82180
   19    18 S   H    _HN2    19     1.01590   118.98213     1.53391
   20    18 S   CT1  _CA2    20     1.46084   123.36489   177.88567
   21    20 S   HC   _HA2    21     1.09601   109.31547     0.19383
   22    20 S   C    _C2_    22     1.53528   108.91896  -114.89683
   23    22 S   O    _O2_    23     1.23062   122.18441  -150.01536
   24    20 S   CT   _CB2    32     1.53308   111.68315   122.60000
   25    24 S   HC   HB21    33     1.09648   109.75360    61.51969
   26    24 S   HC   HB22    34     1.09578   110.87161   178.95040
   27    22 S   N    _N3_    24     1.38305   113.74198    37.51638
   28    27 S   H    _HN3    25     1.01593   119.56217    -3.47840
   29    24 S   S    _SG2    35     1.82915   114.59289   -58.53071
   30    27 S   CT   _CA3    26     1.45285   123.21029   176.99280
   31    30 S   HC   HA31    27     1.09549   107.51597   -64.53582
   32    30 S   HC   HA32    28     1.09557   107.97824    51.90021
   33    29 S   CT   _C21    36     1.82804    99.71102   -63.68447
   34    33 S   HC   _H18    37     1.09192   107.77193   -46.34565
   35    33 S   HC   _H19    38     1.09277   107.18503    71.27822
   36    30 S   CO3  _C3_    29     1.52957   114.07991   173.91691
   37    36 S   O2Z  _O31    30     1.26376   116.06280     0.02798
   38    36 S   O2Z  _O32    31     1.26429   114.41587  -179.91377
   39    33 S   CT   _C19    39     1.52631   111.38454  -168.68210
   40    39 S   HC   _H6_    40     1.09993   109.81043   -40.14767
   41    39 S   CO4  _C20    41     1.50538   114.85249    79.00644
   42    41 S   O    _O37    42     1.22065   126.59566   -32.02580
   43    41 S   OS   _O38    43     1.36414   109.42710   151.49364
   44    43 S   CT   _C17    44     1.43794   111.11140   -12.52738
   45    44 S   HC   _H4_    45     1.09335   104.40106  -125.07416
   46    44 S   CM   _C16    46     1.51577   110.06827   119.61553
   47    46 S   HC   _H17    47     1.08786   116.54687   -11.76273
   48    39 S   CT   _C18    60     1.53829   115.64572  -161.72696
   49    48 S   HC   _H5_    61     1.09444   105.01644    89.93801
   50    46 S   CM   _C15    48     1.35367   124.35976   165.04528
   51    50 S   CM   _C14    49     1.44748   120.17381     4.28213
   52    50 S   CT   _C22    81     1.50208   122.44329  -175.44994
   53    52 S   HC   _H20    82     1.09547   110.75715   122.37716
   54    52 S   HC   _H21    83     1.09534   111.62187     2.09705
   55    51 S   CM   _C13    50     1.32986   128.25667  -111.58504
   56    55 S   HC   _H16    51     1.07334   131.33196    -4.70003
   57    52 S   OH   _O39    84     1.42190   109.63856  -117.54468
   58    57 S   HO   _H22    85     0.97224   107.05265  -179.83449
   59    55 S   CO4  _C12    52     1.46606   100.44214   164.70505
   60    59 S   O    _O35    53     1.22073   123.44936   173.45444
   61    59 S   CT   _C11    54     1.51552   110.22732   -10.26322
   62    61 S   CT   _C10    55     1.54589   110.71700   -93.23893
   63    62 S   HC   _H14    56     1.09878   109.60393    23.21956
   64    62 S   HC   _H15    57     1.09926   108.38266   -87.60842
   65    51 S   OS   _O36    76     1.38810   114.39885    61.53677
   66    61 S   CT   _C23    77     1.51782   113.00938   138.34503
   67    66 S   HC   _H23    78     1.09539   110.81995  -171.14590
   68    66 S   HC   _H24    79     1.09476   111.57442    67.55379
   69    66 S   HC   _H25    80     1.09617   110.97626   -52.76230
   70    62 S   CT   _C9_    58     1.55789   118.99956   147.82101
   71    70 S   HC   _H3_    59     1.09700   108.21264    69.85774
   72    70 S   OS   _O34    62     1.45220   106.38786  -172.48963
   73    72 S   CO4  _C8_    63     1.35951   117.76650   -83.87118
   74    73 S   O    _O33    64     1.22110   126.69564    -3.03841
   75    73 S   CM   _C6_    65     1.48538   108.74510   177.12656
   76    75 S   CM   _C5_    66     1.34503   120.40208  -136.69065
   77    76 S   HC   _H10    67     1.08931   117.79913  -177.77472
   78    75 S   CT   _C7_    72     1.50032   117.30563    45.28290
   79    78 S   HC   _H11    73     1.09463   110.72788   -68.68758
   80    78 S   HC   _H12    74     1.09469   110.49109    51.78069
   81    78 S   HC   _H13    75     1.09528   111.95369   171.33440
   82    76 S   CT   _C4_    68     1.49587   128.30073     3.98787
   83    82 S   HC   _H7_    69     1.09400   109.99892  -108.27623
   84    82 S   HC   _H8_    70     1.09509   109.32475   133.20860
   85    82 S   HC   _H9_    71     1.09246   113.50005    13.93870
  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
  11   5   4   2   1   1  13   7   8   3   8  12   6  12   4  10
   4  11  12   6   3   2   7   4   1   1  11   4  11  11   6   5
   5   4   2   1   1   5   2   5   9   3  10   9   5   4   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    70    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    62    70    71    48    49    72  
   41    42    43    44    70    48    49  
   42    43    44    45    46    70    48    49  
   43    44    48  
   44    45    46    47    50    70    48    49  
   45    46    47    50    51    62    70    71    48    49    72    52  
   46    47    50    70    48    49  
   47    50    51    55    70    48    49    65    52    53    54    57  
   50    51    48    52  
   49    72    73    50    61    62    63    64    70    71  
   72    62    70    71  
   51    55    56    59    61    65    52    53    54    57    58  
   55    56    59    60    61    62    65    66    52    53    54    57  
   53    54    57    58    55    65  
   54    57    58  
   57    58  
   56    59    60    61    62    65    66  
   59    60    61    65  
   58  
    0  
   60    61    62    63    64    70    65    66    67    68    69  
   61    62    65    66  
   62    63    64    70    71    72    65    66    67    68    69  
   63    64    70    71    72    73    65    66    67    68    69  
   64    70    71    72    65    66  
   70    71    72    65    66  
   66    67    68    69    70  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73  
   73    74    75    76    78  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   380.000  1.444
   50    52   317.000  1.510
   51    55   549.000  1.340
   51    65   440.000  1.360
   55    56   340.000  1.080
   55    59   320.000  1.462
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   268.000  1.529
   61    65   320.000  1.410
   61    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    48   268.000  1.529
   70    72   320.000  1.410
   48    49   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   320.000  1.410
   57    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    70    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    70    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  123.01800
   46    50    52    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    55    70.00000  123.01800
   50    51    65    80.00000  120.01400
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    57    90.00000  110.39200
   51    55    56    35.00000  120.00000
   51    55    59    65.00000  118.96000
   51    65    61    90.00000  111.18400
   55    59    60    80.00000  123.72100
   55    59    61    65.00000  118.62400
   59    55    56    40.00000  117.72500
   59    61    62    63.00000  111.10000
   59    61    65    90.00000  108.74100
   59    61    66    63.00000  111.10000
   61    59    60    80.00000  120.40000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    70    58.35000  112.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    48    58.35000  112.70000
   62    70    72    50.00000  109.50000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    48    49    37.50000  110.70000
   70    72    73    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    70    71    37.50000  110.70000
   72    70    71    35.00000  109.50000
   72    70    48    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   65    51    55    80.00000  120.01400
   65    61    62    50.00000  109.50000
   66    61    62    58.35000  112.70000
   66    61    65    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    50    51    70.00000  124.00000
   52    57    58    55.00000  108.50000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    70   0.56750  1.0 1.0
   33    39    48    70  -0.07550 -1.0 2.0
   33    39    48    70   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    70   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    70  -0.95700  1.0 1.0
   41    39    48    70  -0.18200 -1.0 2.0
   41    39    48    70   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    70   0.62750  1.0 1.0
   43    44    48    70  -0.30950 -1.0 2.0
   43    44    48    70   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    52   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    70   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    70   0.34400  1.0 1.0
   46    44    48    70   0.09450 -1.0 2.0
   46    44    48    70   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    55   0.28850  1.0 1.0
   46    50    51    55   2.61350 -1.0 2.0
   46    50    51    55   0.78400  1.0 3.0
   46    50    51    65  -0.51250  1.0 1.0
   46    50    51    65   1.23350 -1.0 2.0
   46    50    52    53   0.00000  1.0 1.0
   46    50    52    54   0.00000  1.0 1.0
   46    50    52    57   0.67800  1.0 1.0
   46    50    52    57   0.47050 -1.0 2.0
   46    50    52    57  -0.62500  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   50    51    55    56   7.00000 -1.0 2.0
   50    51    55    59   7.00000 -1.0 2.0
   50    51    65    61  -2.26850  1.0 1.0
   50    51    65    61   3.39050 -1.0 2.0
   50    52    57    58  -0.07800  1.0 1.0
   50    52    57    58  -0.21500 -1.0 2.0
   50    52    57    58  -0.03150  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    57  -0.17300  1.0 1.0
   51    50    52    57   0.35150 -1.0 2.0
   51    50    52    57   0.31550  1.0 3.0
   51    55    59    60   1.00000 -1.0 2.0
   51    55   -59    61  -0.33500  1.0 1.0
   51    55   -59    61   1.06600 -1.0 2.0
   51    55   -59    61  -0.14000  1.0 3.0
   55    51   -65    61  -2.26850  1.0 1.0
   55    51   -65    61   3.39050 -1.0 2.0
   55    59    61    62   0.65300  1.0 1.0
   55    59    61    62  -0.03850 -1.0 2.0
   55    59    61    62   0.33900  1.0 3.0
   55    59   -61    65   0.65300  1.0 1.0
   55    59   -61    65  -0.03850 -1.0 2.0
   55    59   -61    65   0.33900  1.0 3.0
   55    59    61    66   0.65300  1.0 1.0
   55    59    61    66  -0.03850 -1.0 2.0
   55    59    61    66   0.33900  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.04550  1.0 1.0
   56    55    59    61   0.83000 -1.0 2.0
   56    55    59    61  -0.04000  1.0 3.0
   59    61    62    63  -0.11250  1.0 3.0
   59    61    62    64  -0.11250  1.0 3.0
   59    61    62    70  -0.95700  1.0 1.0
   59    61    62    70  -0.18200 -1.0 2.0
   59    61    62    70   0.29450  1.0 3.0
   59    61   -65    51  -0.48150  1.0 1.0
   59    61   -65    51   0.09250 -1.0 2.0
   59    61   -65    51  -0.12850  1.0 3.0
   59    61    66    67  -0.11250  1.0 3.0
   59    61    66    68  -0.11250  1.0 3.0
   59    61    66    69  -0.11250  1.0 3.0
   60    59    61    62   0.30150 -1.0 2.0
   60    59    61    65   0.30150 -1.0 2.0
   60    59    61    66   0.30150 -1.0 2.0
   61    62    70    71   0.15000  1.0 3.0
   61    62    70    48   0.56750  1.0 1.0
   61    62    70    48  -0.07550 -1.0 2.0
   61    62    70    48   0.20000  1.0 3.0
   61    62    70    72   0.62750  1.0 1.0
   61    62    70    72  -0.30950 -1.0 2.0
   61    62    70    72   0.27300  1.0 3.0
   62    61    65    51  -0.46850  1.0 1.0
   62    61    65    51   0.09300 -1.0 2.0
   62    61    65    51  -0.12850  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   62    70    48    39   0.56750  1.0 1.0
   62    70    48    39  -0.07550 -1.0 2.0
   62    70    48    39   0.20000  1.0 3.0
   62    70    48    44   0.56750  1.0 1.0
   62    70    48    44  -0.07550 -1.0 2.0
   62    70    48    44   0.20000  1.0 3.0
   62    70    48    49   0.15000  1.0 3.0
   62    70    72    73  -0.25900  1.0 1.0
   62    70    72    73  -0.47000 -1.0 2.0
   62    70    72    73   0.11750  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    48   0.15000  1.0 3.0
   63    62    70    72   0.23400  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    48   0.15000  1.0 3.0
   64    62    70    72   0.23400  1.0 3.0
   70    72    73    74   3.00000 -1.0 2.0
   70    72    73    75   2.00000 -1.0 2.0
   71    70    48    39   0.15000  1.0 3.0
   71    70    48    44   0.15000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   71    70    72    73   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    70    72    73  -0.25900  1.0 1.0
   48    70    72    73  -0.47000 -1.0 2.0
   48    70    72    73   0.11750  1.0 3.0
   72    70    48    39   0.62750  1.0 1.0
   72    70    48    39  -0.30950 -1.0 2.0
   72    70    48    39   0.27300  1.0 3.0
   72    70    48    44   0.62750  1.0 1.0
   72    70    48    44  -0.30950 -1.0 2.0
   72    70    48    44   0.27300  1.0 3.0
   72    70    48    49   0.23400  1.0 3.0
   72    73    75    76  -0.56150  1.0 1.0
   72    73    75    76   2.19150 -1.0 2.0
   72    73    75    78  -0.15000  1.0 1.0
   72    73    75    78   0.89550 -1.0 2.0
   72    73    75    78  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   65    51    55    56   7.00000 -1.0 2.0
   65    51   -55    59   7.00000 -1.0 2.0
   65    61    62    63   0.23400  1.0 3.0
   65    61    62    64   0.23400  1.0 3.0
   65    61    62    70   0.62750  1.0 1.0
   65    61    62    70  -0.30950 -1.0 2.0
   65    61    62    70   0.27300  1.0 3.0
   65    61    66    67   0.23400  1.0 3.0
   65    61    66    68   0.23400  1.0 3.0
   65    61    66    69   0.23400  1.0 3.0
   66    61    62    63   0.15000  1.0 3.0
   66    61    62    64   0.15000  1.0 3.0
   66    61    62    70   0.56750  1.0 1.0
   66    61    62    70  -0.07550 -1.0 2.0
   66    61    62    70   0.20000  1.0 3.0
   66    61    65    51  -0.46850  1.0 1.0
   66    61    65    51   0.09300 -1.0 2.0
   66    61    65    51  -0.12850  1.0 3.0
   52    50    51    55  -0.18600  1.0 3.0
   52    50    51    65   1.08500 -1.0 2.0
   53    52    57    58   0.19450  1.0 3.0
   54    52    57    58   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    52    50    46   1.10000 -1.0 2.0
   50    65    51    55   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   55    61    59    60  10.50000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
