* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    161    268     487
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02138    93.71202   -62.76570
    3     1 S   H    _H1_     3     1.02048    86.62467    45.78268
    4     1 S   H    _H2_     4     1.02168    33.31481   178.16923
    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     1.08547   109.95733   179.14202
   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   _C21    36     1.85090    97.21559  -178.16506
   34    33 S   HC   _H6_    37     1.09602   105.95522   -33.85714
   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   _C20    38     1.51116   104.52691    80.04440
   39    38 S   HC   _H23    39     1.08675   118.45576   -80.06595
   40    38 S   CM   _C19    40     1.33995   120.90068    98.18649
   41    40 S   CM   _C18    41     1.44320   121.24841     1.20057
   42    41 S   HC   _H22    42     1.08591   116.47052  -166.53721
   43    40 S   OH   _O34    81     1.37541   123.63502  -177.77992
   44    43 S   HO   _H27    82     0.96475   110.08174    -0.97398
   45    41 S   CM   _C17    43     1.35058   121.94849    16.97586
   46    45 S   CM   _C15    44     1.46388   121.36913   173.26501
   47    46 S   CT   _C14    45     1.50309   116.59318   143.43913
   48    47 S   HC   _H18    46     1.09722   110.47911   174.35444
   49    47 S   HC   _H19    47     1.09778   109.10601   -69.10909
   50    46 S   CM   _C16    78     1.34453   122.88356   -39.90406
   51    50 S   HC   _H20    79     1.07881   120.25220  -179.98022
   52    50 S   HC   _H21    80     1.07897   120.31995    -0.03956
   53    47 S   CT   _C9_    48     1.53290   110.78372    52.86085
   54    53 S   HC   _H4_    49     1.09590   108.39277    60.02468
   55    53 S   CT   _C10    50     1.53270   111.54311  -179.34808
   56    55 S   HC   _H5_    51     1.10419   106.55185    62.68599
   57    53 S   CT   _C8_    67     1.56225   109.03352   -59.94727
   58    57 S   HC   _H3_    68     1.09752   104.02867   -59.83083
   59    55 S   CT   _C11    52     1.52448   120.02910   -56.62361
   60    59 S   HC   _H14    53     1.09413   112.72276    70.21788
   61    59 S   HC   _H15    54     1.09551   111.66877   -51.17444
   62    33 S   CT   _C22    69     1.59421   116.45345  -154.84172
   63    59 S   CT   _C12    55     1.53554   102.74546  -170.31331
   64    63 S   HC   _H16    56     1.09418   111.07660   -90.19887
   65    63 S   HC   _H17    57     1.09203   111.63717   145.44567
   66    62 S   CT   _C23    70     1.55912   107.21063   163.51804
   67    66 S   HC   _H24    71     1.07817   108.17457   -62.58737
   68    66 S   HC   _H25    72     1.07768   108.21061   177.35581
   69    66 S   HC   _H26    73     1.07886   108.22207    57.36279
   70    63 S   CO4  _C13    58     1.52011   103.04147    26.19327
   71    70 S   O    _O33    59     1.22400   123.94222   179.17338
   72    55 S   CT   _C5_    60     1.54248   111.84396  -179.00810
   73    72 S   CT   _C6_    61     1.52602   107.77122   -64.87378
   74    73 S   HC   _H10    62     1.09741   110.31215   -62.77904
   75    73 S   HC   _H11    63     1.09672   110.63611  -179.70859
   76    72 S   CT   _C4_    74     1.54081   115.83338    60.66948
   77    76 S   HC   _H7_    75     1.08475   109.17448   -71.89452
   78    76 S   HC   _H8_    76     1.08434   109.14427   168.13502
   79    76 S   HC   _H9_    77     1.08427   109.18907    48.10113
   80    73 S   CT   _C7_    64     1.53920   110.74557    58.47840
   81    80 S   HC   _H12    65     1.09362   108.16379    69.64127
   82    80 S   HC   _H13    66     1.09464   108.23569  -175.94035
  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  10   4   7  10   4   2   1  16  12  15   6
   5   4   1   1  18   8  21   9  14   6  10   6   5   8   7   4
   3   4   2   1   1  10   3  10   9   5   4   4   2   1   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    62    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    57    62    66  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    53    80    57    58    62    66    67    68    69    43  
   38    39    40    45    57    62    66  
   36    37  
   37  
    0  
   39    40    41    42    45    57    62    66    43    44  
   40    41    62    43  
   41    42    45    46    62    43    44  
   42    45    46    47    57    62    66    50    43    44  
   45    46    62    43  
   44    45  
    0  
   46    47    48    49    53    80    57    58    62    66    67    68    69    50    51    52  
   47    48    49    53    54    55    57    62    66    50    51    52  
   48    49    53    54    55    56    59    72    80    57    58    62    50    51    52  
   49    53    54    55    57    50  
   53    54    55    57    50  
   51    52    53    62  
   52  
    0  
   54    55    56    59    60    61    63    70    72    73    80    81    82    57    58    62    66    76  
   55    56    59    72    80    57    58    62  
   56    59    60    61    63    64    65    70    71    72    73    74    75    80    57    58    62    76    77    78    79  
   59    60    61    63    70    72    73    57    76  
   58    62    66    67    68    69    59    72    73    74    75    80    81    82  
   62    66    73    80    81    82  
   60    61    63    64    65    70    71    72    73    76  
   61    63    64    65    70    72  
   63    64    65    70    72  
   66    67    68    69    73    80    81    82  
   64    65    70    71    72    73    76  
   65    70    71    72  
   70    71    72  
   67    68    69    80  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    76  
   73    74    75    80    81    82    76    77    78    79  
   74    75    80    81    82    76    77    78    79  
   75    80    81    82    76  
   80    81    82    76  
   77    78    79    80  
   78    79  
   79  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    62   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   510.000  1.338
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   380.000  1.444
   45    62   317.000  1.510
   46    47   317.000  1.510
   46    50   549.000  1.340
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    72   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   317.000  1.522
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   268.000  1.529
   72    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   50    51   340.000  1.080
   50    52   340.000  1.080
   43    44   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    62    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    62    45    70.00000  112.02700
   33    62    57    58.35000  112.70000
   33    62    66    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  123.01800
   40    43    44    70.00000  107.45700
   41    45    46    70.00000  123.01800
   41    45    62    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    46    47    70.00000  124.00000
   45    46    50    70.00000  123.01800
   45    62    57    70.00000  112.02700
   45    62    66    70.00000  112.02700
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    53    70.00000  112.02700
   46    50    51    35.00000  120.00000
   46    50    52    35.00000  120.00000
   47    53    54    37.50000  110.70000
   47    53    55    58.35000  112.70000
   47    53    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    59    58.35000  112.70000
   53    55    72    58.35000  112.70000
   53    57    80    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    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    63    58.35000  112.70000
   55    72    70    63.00000  111.10000
   55    72    73    58.35000  112.70000
   55    72    76    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    70    63.00000  111.10000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    70    71    80.00000  120.40000
   63    70    72    70.00000  116.00000
   65    63    64    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    65    35.00000  109.50000
   70    72    73    63.00000  111.10000
   70    72    76    63.00000  111.10000
   72    55    56    37.50000  110.70000
   72    55    59    58.35000  112.70000
   72    70    71    80.00000  120.40000
   72    73    74    37.50000  110.70000
   72    73    75    37.50000  110.70000
   72    73    80    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    57    58.35000  112.70000
   75    73    74    33.00000  107.80000
   80    73    74    37.50000  110.70000
   80    73    75    37.50000  110.70000
   80    57    58    37.50000  110.70000
   80    57    62    58.35000  112.70000
   82    80    81    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    58.35000  112.70000
   57    80    81    37.50000  110.70000
   57    80    82    37.50000  110.70000
   57    62    66    58.35000  112.70000
   62    33    34    37.50000  110.70000
   62    33    38    70.00000  112.02700
   62    45    46    70.00000  124.00000
   62    57    58    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   76    72    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   50    46    47    70.00000  124.00000
   52    50    51    35.00000  117.00000
   43    40    41    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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   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    62    45   0.56750  1.0 1.0
   29    33    62    45  -0.07550 -1.0 2.0
   29    33    62    45   0.20000  1.0 3.0
   29    33    62    57   0.44750  1.0 1.0
   29    33    62    57  -0.17800 -1.0 2.0
   29    33    62    57   0.20200  1.0 3.0
   29    33    62    66   0.44750  1.0 1.0
   29    33    62    66  -0.17800 -1.0 2.0
   29    33    62    66   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
   33    62    66    67   0.15000  1.0 3.0
   33    62    66    68   0.15000  1.0 3.0
   33    62    66    69   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    62    45   0.15000  1.0 3.0
   34    33    62    57   0.15000  1.0 3.0
   34    33    62    66   0.15000  1.0 3.0
   38    33    62    45   0.31000  1.0 1.0
   38    33    62    45   0.14700 -1.0 2.0
   38    33    62    45   0.07550  1.0 3.0
   38    33    62    57   0.34400  1.0 1.0
   38    33    62    57   0.09450 -1.0 2.0
   38    33    62    57   0.11100  1.0 3.0
   38    33    62    66   0.34400  1.0 1.0
   38    33    62    66   0.09450 -1.0 2.0
   38    33    62    66   0.11100  1.0 3.0
   38    40    41    42  -0.18600  1.0 3.0
   38    40   -41    45   0.28850  1.0 1.0
   38    40   -41    45   2.61350 -1.0 2.0
   38    40   -41    45   0.78400  1.0 3.0
   38    40    43    44  -0.66100  1.0 1.0
   38    40    43    44   1.20850 -1.0 2.0
   38    40    43    44  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    43   7.00000 -1.0 2.0
   40    41    45    46   7.00000 -1.0 2.0
   40    41    45    62   7.00000 -1.0 2.0
   41    40    43    44  -0.66100  1.0 1.0
   41    40    43    44   1.20850 -1.0 2.0
   41    40    43    44  -0.36000  1.0 3.0
   41    45    46    47  -0.18600  1.0 3.0
   41    45    46    50   0.28850  1.0 1.0
   41    45    46    50   2.61350 -1.0 2.0
   41    45    46    50   0.78400  1.0 3.0
   41    45   -62    33   0.09850  1.0 1.0
   41    45   -62    33   0.15250 -1.0 2.0
   41    45   -62    33  -0.50650  1.0 3.0
   41    45    62    57   0.09850  1.0 1.0
   41    45    62    57   0.15250 -1.0 2.0
   41    45    62    57  -0.50650  1.0 3.0
   41    45    62    66   0.09850  1.0 1.0
   41    45    62    66   0.15250 -1.0 2.0
   41    45    62    66  -0.50650  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    62   7.00000 -1.0 2.0
   45    46    47    48   0.00000  1.0 1.0
   45    46    47    49   0.00000  1.0 1.0
   45    46    47    53   0.98200  1.0 1.0
   45    46    47    53  -0.11900 -1.0 2.0
   45    46    47    53   0.24250  1.0 3.0
   45    46    50    51   7.00000 -1.0 2.0
   45    46    50    52   7.00000 -1.0 2.0
   45    62    66    67   0.15000  1.0 3.0
   45    62    66    68   0.15000  1.0 3.0
   45    62    66    69   0.15000  1.0 3.0
   46    45    62    33   0.98200  1.0 1.0
   46    45    62    33  -0.11900 -1.0 2.0
   46    45    62    33   0.24250  1.0 3.0
   46    45    62    57   0.98200  1.0 1.0
   46    45    62    57  -0.11900 -1.0 2.0
   46    45    62    57   0.24250  1.0 3.0
   46    45    62    66   0.98200  1.0 1.0
   46    45    62    66  -0.11900 -1.0 2.0
   46    45    62    66   0.24250  1.0 3.0
   46    47    53    54   0.15000  1.0 3.0
   46    47    53    55   0.34400  1.0 1.0
   46    47    53    55   0.09450 -1.0 2.0
   46    47    53    55   0.11100  1.0 3.0
   46    47   -53    57   0.34400  1.0 1.0
   46    47   -53    57   0.09450 -1.0 2.0
   46    47   -53    57   0.11100  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   47    53    55    56   0.15000  1.0 3.0
   47    53    55    59   0.56750  1.0 1.0
   47    53    55    59  -0.07550 -1.0 2.0
   47    53    55    59   0.20000  1.0 3.0
   47    53    55    72   0.56750  1.0 1.0
   47    53    55    72  -0.07550 -1.0 2.0
   47    53    55    72   0.20000  1.0 3.0
   47    53    57    80   0.56750  1.0 1.0
   47    53    57    80  -0.07550 -1.0 2.0
   47    53    57    80   0.20000  1.0 3.0
   47    53    57    58   0.15000  1.0 3.0
   47    53    57    62   0.56750  1.0 1.0
   47    53    57    62  -0.07550 -1.0 2.0
   47    53    57    62   0.20000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    57   0.15000  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    57   0.15000  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    63   0.56750  1.0 1.0
   53    55    59    63  -0.07550 -1.0 2.0
   53    55    59    63   0.20000  1.0 3.0
   53    55    72    70  -0.95700  1.0 1.0
   53    55    72    70  -0.18200 -1.0 2.0
   53    55    72    70   0.29450  1.0 3.0
   53    55    72    73   0.56750  1.0 1.0
   53    55    72    73  -0.07550 -1.0 2.0
   53    55    72    73   0.20000  1.0 3.0
   53    55    72    76   0.56750  1.0 1.0
   53    55    72    76  -0.07550 -1.0 2.0
   53    55    72    76   0.20000  1.0 3.0
   53    57    62    33   0.56750  1.0 1.0
   53    57    62    33  -0.07550 -1.0 2.0
   53    57    62    33   0.20000  1.0 3.0
   53    57   -62    45   0.34400  1.0 1.0
   53    57   -62    45   0.09450 -1.0 2.0
   53    57   -62    45   0.11100  1.0 3.0
   53    57    62    66   0.56750  1.0 1.0
   53    57    62    66  -0.07550 -1.0 2.0
   53    57    62    66   0.20000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    55    72   0.15000  1.0 3.0
   54    53    57    80   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    62   0.15000  1.0 3.0
   55    53    57    80   0.56750  1.0 1.0
   55    53    57    80  -0.07550 -1.0 2.0
   55    53    57    80   0.20000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    62   0.56750  1.0 1.0
   55    53    57    62  -0.07550 -1.0 2.0
   55    53    57    62   0.20000  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59   -63    70  -0.95700  1.0 1.0
   55    59   -63    70  -0.18200 -1.0 2.0
   55    59   -63    70   0.29450  1.0 3.0
   55    72    73    74   0.15000  1.0 3.0
   55    72    73    75   0.15000  1.0 3.0
   55    72   -73    80   0.56750  1.0 1.0
   55    72   -73    80  -0.07550 -1.0 2.0
   55    72   -73    80   0.20000  1.0 3.0
   55    72    76    77   0.15000  1.0 3.0
   55    72    76    78   0.15000  1.0 3.0
   55    72    76    79   0.15000  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    63   0.15000  1.0 3.0
   56    55    72    70  -0.11250  1.0 3.0
   56    55    72    73   0.15000  1.0 3.0
   56    55    72    76   0.15000  1.0 3.0
   59    55   -72    70  -0.95700  1.0 1.0
   59    55   -72    70  -0.18200 -1.0 2.0
   59    55   -72    70   0.29450  1.0 3.0
   59    55    72    73   0.56750  1.0 1.0
   59    55    72    73  -0.07550 -1.0 2.0
   59    55    72    73   0.20000  1.0 3.0
   59    55    72    76   0.56750  1.0 1.0
   59    55    72    76  -0.07550 -1.0 2.0
   59    55    72    76   0.20000  1.0 3.0
   59    63    70    71   0.30150 -1.0 2.0
   59    63   -70    72   0.60050  1.0 1.0
   59    63   -70    72   0.05600 -1.0 2.0
   59    63   -70    72   0.26150  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    70  -0.11250  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    70  -0.11250  1.0 3.0
   63    70   -72    55   0.60050  1.0 1.0
   63    70   -72    55   0.05600 -1.0 2.0
   63    70   -72    55   0.26150  1.0 3.0
   63    70    72    73   0.60050  1.0 1.0
   63    70    72    73   0.05600 -1.0 2.0
   63    70    72    73   0.26150  1.0 3.0
   63    70    72    76   0.60050  1.0 1.0
   63    70    72    76   0.05600 -1.0 2.0
   63    70    72    76   0.26150  1.0 3.0
   64    63    70    71   0.00000  1.0 1.0
   64    63    70    72   0.00000  1.0 1.0
   65    63    70    71   0.00000  1.0 1.0
   65    63    70    72   0.00000  1.0 1.0
   70    72    73    74  -0.11250  1.0 3.0
   70    72    73    75  -0.11250  1.0 3.0
   70    72    73    80  -0.95700  1.0 1.0
   70    72    73    80  -0.18200 -1.0 2.0
   70    72    73    80   0.29450  1.0 3.0
   70    72    76    77  -0.11250  1.0 3.0
   70    72    76    78  -0.11250  1.0 3.0
   70    72    76    79  -0.11250  1.0 3.0
   71    70    72    55   0.30150 -1.0 2.0
   71    70    72    73   0.30150 -1.0 2.0
   71    70    72    76   0.30150 -1.0 2.0
   72    55    59    60   0.15000  1.0 3.0
   72    55    59    61   0.15000  1.0 3.0
   72    55   -59    63   0.56750  1.0 1.0
   72    55   -59    63  -0.07550 -1.0 2.0
   72    55   -59    63   0.20000  1.0 3.0
   72    73    80    81   0.15000  1.0 3.0
   72    73    80    82   0.15000  1.0 3.0
   72    73    80    57   0.56750  1.0 1.0
   72    73    80    57  -0.07550 -1.0 2.0
   72    73    80    57   0.20000  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   73    80   -57    53   0.56750  1.0 1.0
   73    80   -57    53  -0.07550 -1.0 2.0
   73    80   -57    53   0.20000  1.0 3.0
   73    80    57    58   0.15000  1.0 3.0
   73    80    57    62   0.56750  1.0 1.0
   73    80    57    62  -0.07550 -1.0 2.0
   73    80    57    62   0.20000  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    82   0.15000  1.0 3.0
   74    73    80    57   0.15000  1.0 3.0
   75    73    80    81   0.15000  1.0 3.0
   75    73    80    82   0.15000  1.0 3.0
   75    73    80    57   0.15000  1.0 3.0
   80    57    62    33   0.56750  1.0 1.0
   80    57    62    33  -0.07550 -1.0 2.0
   80    57    62    33   0.20000  1.0 3.0
   80    57    62    45   0.34400  1.0 1.0
   80    57    62    45   0.09450 -1.0 2.0
   80    57    62    45   0.11100  1.0 3.0
   80    57    62    66   0.56750  1.0 1.0
   80    57    62    66  -0.07550 -1.0 2.0
   80    57    62    66   0.20000  1.0 3.0
   81    80    57    53   0.15000  1.0 3.0
   81    80    57    58   0.15000  1.0 3.0
   81    80    57    62   0.15000  1.0 3.0
   82    80    57    53   0.15000  1.0 3.0
   82    80    57    58   0.15000  1.0 3.0
   82    80    57    62   0.15000  1.0 3.0
   57    53    55    56   0.15000  1.0 3.0
   57    53    55    59   0.56750  1.0 1.0
   57    53    55    59  -0.07550 -1.0 2.0
   57    53    55    59   0.20000  1.0 3.0
   57    53   -55    72   0.56750  1.0 1.0
   57    53   -55    72  -0.07550 -1.0 2.0
   57    53   -55    72   0.20000  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    68   0.15000  1.0 3.0
   57    62    66    69   0.15000  1.0 3.0
   58    57    62    33   0.15000  1.0 3.0
   58    57    62    45   0.15000  1.0 3.0
   58    57    62    66   0.15000  1.0 3.0
   62    33    38    39   0.00000  1.0 1.0
   62    33   -38    40   0.09850  1.0 1.0
   62    33   -38    40   0.15250 -1.0 2.0
   62    33   -38    40  -0.50650  1.0 3.0
   62    45   -46    47   0.35650  1.0 1.0
   62    45   -46    47   0.31450 -1.0 2.0
   62    45    46    50  -0.18600  1.0 3.0
   76    72    73    74   0.15000  1.0 3.0
   76    72    73    75   0.15000  1.0 3.0
   76    72    73    80   0.56750  1.0 1.0
   76    72    73    80  -0.07550 -1.0 2.0
   76    72    73    80   0.20000  1.0 3.0
   50    46    47    48   0.00000  1.0 1.0
   50    46    47    49   0.00000  1.0 1.0
   50    46    47    53   0.09850  1.0 1.0
   50    46    47    53   0.15250 -1.0 2.0
   50    46    47    53  -0.50650  1.0 3.0
   43    40    41    42   0.00000  1.0 1.0
   43    40    41    45   0.50950  1.0 1.0
   43    40    41    45   0.56650 -1.0 2.0
   43    40    41    45   0.34050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    45   1.10000 -1.0 2.0
   46    62    45    41   1.10000 -1.0 2.0
   45    47    46    50   1.10000 -1.0 2.0
   63    72    70    71  10.50000 -1.0 2.0
   51    52    50    46   1.10000 -1.0 2.0
END
