* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    241     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107   104.30803   -35.17755
    3     1 S   H    _H1_     3     1.02109    68.96599    69.65914
    4     1 S   H    _H2_     4     1.02134    44.12335  -137.43572
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.84706    97.38221  -178.14723
   34    33 S   HC   _H4_    37     1.09715   104.68605    35.73650
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C13    38     1.51192   105.58705   -80.00609
   39    38 S   HC   _H12    39     1.08888   116.78876   -72.48189
   40    33 S   CT   _C15    60     1.57808   114.74934   152.94323
   41    38 S   CM   _C12    40     1.34480   125.03075   110.28238
   42    40 S   CT   _C21    61     1.55443   109.88439   -54.67610
   43    42 S   HC   _H18    62     1.07926   108.49921    59.04613
   44    42 S   HC   _H19    63     1.07925   108.47333   -60.99328
   45    42 S   HC   _H20    64     1.07991   108.43527   179.02221
   46    40 S   CT   _C22    65     1.54478   112.35642    64.03884
   47    46 S   HC   _H21    66     1.08311   108.95989   -54.25870
   48    46 S   HC   _H22    67     1.08276   108.92736  -174.27388
   49    46 S   HC   _H23    68     1.08281   108.90089    65.69422
   50    41 S   CM   _C11    41     1.45025   122.45976   174.66054
   51    41 S   OH   _O35    82     1.38242   121.67866    -3.35293
   52    51 S   HO   _H24    83     0.96179   109.68059   179.93439
   53    50 S   CM   _C10    42     1.34740   124.73280  -110.12669
   54    53 S   HC   _H11    43     1.09201   116.25602  -174.15742
   55    50 S   CT   _C23    78     1.50792   114.43082    73.08360
   56    55 S   HC   _H25    79     1.08505   109.09789   -93.06835
   57    55 S   HC   _H26    80     1.08507   109.15168   146.68801
   58    55 S   HC   _H27    81     1.08579   109.10594    27.02691
   59    53 S   CM   _C8_    44     1.44790   131.17448     3.27429
   60    59 S   CM   _C9_    45     1.34349   121.19089  -146.04989
   61    60 S   HC   _H10    46     1.08327   124.36792     3.44855
   62    60 S   CT   _C5_    47     1.49617   113.71572  -175.57331
   63    62 S   HC   _H3_    48     1.09594   110.05150  -125.62575
   64    62 S   CT   _C6_    49     1.53335   102.72788    -8.86625
   65    64 S   HC   _H8_    50     1.09584   112.13739   140.02058
   66    64 S   HC   _H9_    51     1.09928   109.20288  -102.42700
   67    62 S   CT   _C4_    74     1.52359   112.00988   112.82190
   68    67 S   HC   _H5_    75     1.08971   110.04128   -57.95192
   69    67 S   HC   _H6_    76     1.09065   109.99520  -177.91888
   70    67 S   HC   _H7_    77     1.08974   109.99600    62.14171
   71    59 S   CT   _C7_    52     1.50533   128.42841    42.49680
   72    71 S   CO4  _C19    53     1.50728   113.51306    63.74652
   73    72 S   O    _O33    54     1.22097   126.36439    46.35563
   74    72 S   CM   _C18    55     1.46333   109.83429  -134.85690
   75    74 S   CM   _C17    56     1.33465   102.31346     6.61085
   76    74 S   CT   _C20    70     1.47685   123.97553  -172.58701
   77    76 S   HC   _H15    71     1.09547   110.59185   -91.04664
   78    76 S   HC   _H16    72     1.09559   110.65112   148.79589
   79    76 S   HC   _H17    73     1.09579   110.65587    29.09252
   80    75 S   CT   _C16    57     1.50325   127.49167  -178.73452
   81    80 S   HC   _H13    58     1.09925   107.83635    37.01806
   82    80 S   HC   _H14    59     1.09955   107.40184   149.09871
   83    71 S   OS   _O34    69     1.42802   115.94520   -55.29553
  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
  19   7   2   1   1  11   4  15  10  11   4   3   2   7   3   2
   1  11   3   1  13   4   4   2   1   1  14  13   5  11   8  12
   5   4   4   2   1   1   7   9   4   9   8   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    80    40    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    50    75    80    81    82    40    42    43    44    45    46    47    48    49    51  
   38    39    41    80    40    42    46  
   36    37  
   37  
    0  
   39    41    50    53    80    40    42    46    55    51    52  
   41    50    40    51  
   42    43    44    45    46    47    48    49    83    41    74    75    80    81    82  
   50    53    54    59    55    56    57    58    51    52  
   43    44    45    46    47    48    49    75    80    81    82  
   44    45    46    80  
   45    46    80  
   46    80  
   47    48    49    75    80    81    82  
   48    49    80  
   49    80  
   80  
   53    54    59    60    71    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    64    71    72    83    55    56    57    58  
   59    60    71    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    71    72    73    74    75    83    67  
   61    62    63    64    65    66    71    72    83    67    68    69    70  
   62    63    64    71    67  
   63    64    65    66    71    72    83    67    68    69    70  
   64    65    66    71    67    68    69    70  
   65    66    71    72    73    74    75    83    67    68    69    70  
   66    71    72    83    67  
   71    72    83    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    80    83    76  
   73    74    75    80    83    76    77    78    79  
   74    75    83    76  
   75    80    81    82    83    76    77    78    79  
   80    81    82    83    76    77    78    79  
   77    78    79    80    83  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.8500   0.1400  -0.285000   1.5900   1.4000   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    40   268.000  1.529
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    50   380.000  1.444
   41    51   510.000  1.338
   50    53   549.000  1.340
   50    55   317.000  1.510
   53    54   340.000  1.080
   53    59   380.000  1.444
   59    60   549.000  1.340
   59    71   317.000  1.510
   60    61   340.000  1.080
   60    62   317.000  1.510
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   317.000  1.522
   71    83   320.000  1.410
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    76   317.000  1.510
   75    80   317.000  1.510
   75    83   440.000  1.360
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    40   268.000  1.529
   40    42   268.000  1.529
   40    46   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   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    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    80    58.35000  112.70000
   33    40    42    58.35000  112.70000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    50    70.00000  123.01800
   38    41    51    80.00000  121.38400
   41    38    39    35.00000  120.00000
   41    50    53    70.00000  123.01800
   41    50    55    70.00000  124.00000
   41    51    52    70.00000  107.45700
   50    53    54    35.00000  120.00000
   50    53    59    70.00000  123.01800
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   53    59    60    70.00000  123.01800
   53    59    71    70.00000  124.00000
   59    53    54    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    62    70.00000  124.00000
   59    71    64    70.00000  112.02700
   59    71    72    70.00000  109.06800
   59    71    83    85.00000  110.90400
   60    62    63    35.00000  109.50000
   60    62    64    70.00000  112.02700
   60    62    67    70.00000  112.02700
   62    60    61    35.00000  117.00000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    71    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   64    62    63    37.50000  110.70000
   64    71    72    63.00000  111.10000
   64    71    83    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    59    60    70.00000  124.00000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    72    73    80.00000  120.40000
   71    72    74    65.00000  118.62400
   71    83    75    90.00000  111.18400
   72    74    75    65.00000  118.96000
   72    74    76    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    80    70.00000  124.00000
   74    75    83    80.00000  120.01400
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    40    70.00000  112.02700
   80    40    42    58.35000  112.70000
   80    40    46    58.35000  112.70000
   82    80    81    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    80    81    37.50000  110.70000
   40    80    82    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    45    37.50000  110.70000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    40    42    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   83    71    72    90.00000  108.74100
   83    75    80    85.00000  112.85300
   76    74    75    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    50    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    41    50    80.00000  121.38400
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    41    50   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    44   0.15000  1.0 3.0
   33    40    42    45   0.15000  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    49   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    80   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    80   0.34400  1.0 1.0
   38    33    40    80   0.09450 -1.0 2.0
   38    33    40    80   0.11100  1.0 3.0
   38    33    40    42   0.34400  1.0 1.0
   38    33    40    42   0.09450 -1.0 2.0
   38    33    40    42   0.11100  1.0 3.0
   38    33    40    46   0.34400  1.0 1.0
   38    33    40    46   0.09450 -1.0 2.0
   38    33    40    46   0.11100  1.0 3.0
   38    41    50    53   0.28850  1.0 1.0
   38    41    50    53   2.61350 -1.0 2.0
   38    41    50    53   0.78400  1.0 3.0
   38    41    50    55  -0.18600  1.0 3.0
   38    41    51    52  -0.66100  1.0 1.0
   38    41    51    52   1.20850 -1.0 2.0
   38    41    51    52  -0.36000  1.0 3.0
   39    38    41    50   7.00000 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   41    50    53    54   7.00000 -1.0 2.0
   41    50    53    59   7.00000 -1.0 2.0
   41    50    55    56   0.00000  1.0 1.0
   41    50    55    57   0.00000  1.0 1.0
   41    50    55    58   0.00000  1.0 1.0
   50    41    51    52  -0.66100  1.0 1.0
   50    41    51    52   1.20850 -1.0 2.0
   50    41    51    52  -0.36000  1.0 3.0
   50    53    59    60   0.28850  1.0 1.0
   50    53    59    60   2.61350 -1.0 2.0
   50    53    59    60   0.78400  1.0 3.0
   50    53    59    71  -0.18600  1.0 3.0
   53    50    55    56   0.00000  1.0 1.0
   53    50    55    57   0.00000  1.0 1.0
   53    50    55    58   0.00000  1.0 1.0
   53    59    60    61   7.00000 -1.0 2.0
   53    59    60    62   7.00000 -1.0 2.0
   53    59    71    64   0.98200  1.0 1.0
   53    59    71    64  -0.11900 -1.0 2.0
   53    59    71    64   0.24250  1.0 3.0
   53    59    71    72  -0.51250  1.0 1.0
   53    59    71    72  -0.88800 -1.0 2.0
   53    59    71    72   0.08850  1.0 3.0
   53    59    71    83   0.39000  1.0 1.0
   53    59    71    83  -0.05800 -1.0 2.0
   53    59    71    83  -0.55150  1.0 3.0
   54    53    59    60  -0.18600  1.0 3.0
   54    53    59    71   0.00000  1.0 1.0
   59    60    62    63   0.00000  1.0 1.0
   59    60   -62    64   0.09850  1.0 1.0
   59    60   -62    64   0.15250 -1.0 2.0
   59    60   -62    64  -0.50650  1.0 3.0
   59    60    62    67   0.09850  1.0 1.0
   59    60    62    67   0.15250 -1.0 2.0
   59    60    62    67  -0.50650  1.0 3.0
   59    71    72    73   0.30150 -1.0 2.0
   59    71    72    74   0.65300  1.0 1.0
   59    71    72    74  -0.03850 -1.0 2.0
   59    71    72    74   0.33900  1.0 3.0
   59    71    83    75  -0.48150  1.0 1.0
   59    71    83    75   0.09250 -1.0 2.0
   59    71    83    75  -0.12850  1.0 3.0
   60    59   -71    64   0.09850  1.0 1.0
   60    59   -71    64   0.15250 -1.0 2.0
   60    59   -71    64  -0.50650  1.0 3.0
   60    59    71    72  -0.51250  1.0 1.0
   60    59    71    72  -0.88800 -1.0 2.0
   60    59    71    72   0.08850  1.0 3.0
   60    59    71    83   0.39000  1.0 1.0
   60    59    71    83  -0.05800 -1.0 2.0
   60    59    71    83  -0.55150  1.0 3.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    66   0.15000  1.0 3.0
   60    62   -64    71   0.34400  1.0 1.0
   60    62   -64    71   0.09450 -1.0 2.0
   60    62   -64    71   0.11100  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    69   0.15000  1.0 3.0
   60    62    67    70   0.15000  1.0 3.0
   61    60    62    63   0.33100  1.0 3.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    67   0.00000  1.0 1.0
   62    64   -71    59   0.34400  1.0 1.0
   62    64   -71    59   0.09450 -1.0 2.0
   62    64   -71    59   0.11100  1.0 3.0
   62    64    71    72  -0.95700  1.0 1.0
   62    64    71    72  -0.18200 -1.0 2.0
   62    64    71    72   0.29450  1.0 3.0
   62    64    71    83   0.62750  1.0 1.0
   62    64    71    83  -0.30950 -1.0 2.0
   62    64    71    83   0.27300  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   64    71    72    73   0.30150 -1.0 2.0
   64    71    72    74   0.65300  1.0 1.0
   64    71    72    74  -0.03850 -1.0 2.0
   64    71    72    74   0.33900  1.0 3.0
   64    71    83    75  -0.46850  1.0 1.0
   64    71    83    75   0.09300 -1.0 2.0
   64    71    83    75  -0.12850  1.0 3.0
   65    64    71    59   0.15000  1.0 3.0
   65    64    71    72  -0.11250  1.0 3.0
   65    64    71    83   0.23400  1.0 3.0
   66    64    71    59   0.15000  1.0 3.0
   66    64    71    72  -0.11250  1.0 3.0
   66    64    71    83   0.23400  1.0 3.0
   71    59    60    61   7.00000 -1.0 2.0
   71    59   -60    62   7.00000 -1.0 2.0
   71    72   -74    75  -0.33500  1.0 1.0
   71    72   -74    75   1.06600 -1.0 2.0
   71    72   -74    75  -0.14000  1.0 3.0
   71    72    74    76   0.25700  1.0 1.0
   71    72    74    76   0.66200 -1.0 2.0
   71    72    74    76   0.04450  1.0 3.0
   72    71   -83    75  -0.48150  1.0 1.0
   72    71   -83    75   0.09250 -1.0 2.0
   72    71   -83    75  -0.12850  1.0 3.0
   72    74    75    80   7.00000 -1.0 2.0
   72    74   -75    83   7.00000 -1.0 2.0
   72    74    76    77   0.15000  1.0 3.0
   72    74    76    78   0.15000  1.0 3.0
   72    74    76    79   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    76  -0.64400  1.0 1.0
   73    72    74    76   0.26850 -1.0 2.0
   74    75    80    81   0.00000  1.0 1.0
   74    75    80    82   0.00000  1.0 1.0
   74    75    80    40   0.09850  1.0 1.0
   74    75    80    40   0.15250 -1.0 2.0
   74    75    80    40  -0.50650  1.0 3.0
   74    75   -83    71  -2.26850  1.0 1.0
   74    75   -83    71   3.39050 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   75    80    40    33   0.34400  1.0 1.0
   75    80    40    33   0.09450 -1.0 2.0
   75    80    40    33   0.11100  1.0 3.0
   75    80    40    42   0.34400  1.0 1.0
   75    80    40    42   0.09450 -1.0 2.0
   75    80    40    42   0.11100  1.0 3.0
   75    80    40    46   0.34400  1.0 1.0
   75    80    40    46   0.09450 -1.0 2.0
   75    80    40    46   0.11100  1.0 3.0
   80    75    83    71   2.00000 -1.0 2.0
   80    40    42    43   0.15000  1.0 3.0
   80    40    42    44   0.15000  1.0 3.0
   80    40    42    45   0.15000  1.0 3.0
   80    40    46    47   0.15000  1.0 3.0
   80    40    46    48   0.15000  1.0 3.0
   80    40    46    49   0.15000  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   81    80    40    46   0.15000  1.0 3.0
   82    80    40    33   0.15000  1.0 3.0
   82    80    40    42   0.15000  1.0 3.0
   82    80    40    46   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    48   0.15000  1.0 3.0
   42    40    46    49   0.15000  1.0 3.0
   46    40    42    43   0.15000  1.0 3.0
   46    40    42    44   0.15000  1.0 3.0
   46    40    42    45   0.15000  1.0 3.0
   83    71    72    73   0.30150 -1.0 2.0
   83    71   -72    74   0.65300  1.0 1.0
   83    71   -72    74  -0.03850 -1.0 2.0
   83    71   -72    74   0.33900  1.0 3.0
   83    75    80    81   0.00000  1.0 1.0
   83    75    80    82   0.00000  1.0 1.0
   83    75    80    40   0.09700  1.0 1.0
   83    75    80    40   0.15600 -1.0 2.0
   83    75    80    40  -0.50800  1.0 3.0
   76    74    75    80   7.00000 -1.0 2.0
   76    74    75    83   7.00000 -1.0 2.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    71   0.56750  1.0 1.0
   67    62    64    71  -0.07550 -1.0 2.0
   67    62    64    71   0.20000  1.0 3.0
   55    50    53    54   7.00000 -1.0 2.0
   55    50    53    59   7.00000 -1.0 2.0
   51    41    50    53   0.50950  1.0 1.0
   51    41    50    53   0.56650 -1.0 2.0
   51    41    50    53   0.34050  1.0 3.0
   51    41    50    55   1.08500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   50    51    41    38   1.10000 -1.0 2.0
   41    55    50    53   1.10000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   53    71    59    60   1.10000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    76    74    75   1.10000 -1.0 2.0
   80    83    75    74   1.10000 -1.0 2.0
END
