* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    160    249     482
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02052   100.90696    18.05386
    3     1 S   H    _H1_     3     1.02051    38.42823   124.47954
    4     1 S   H    _H2_     4     1.02083    76.32261   -88.70989
    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   _C5_    36     1.85933    96.98326   161.84876
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C6_    37     1.54250   106.06662    39.99006
   38    37 S   HC   _H12    38     1.10033   110.63228    48.71512
   39    37 S   HC   _H13    39     1.09886   111.13613   -67.66596
   40    33 S   CT   _C4_    82     1.53745   105.30375   -76.86617
   41    40 S   HC   _H9_    83     1.08604   109.30833   -66.00434
   42    40 S   HC   _H10    84     1.08602   109.33172   173.99802
   43    40 S   HC   _H11    85     1.08502   109.32357    54.01027
   44    37 S   CT   _C7_    40     1.52780   112.76297   169.46135
   45    44 S   HC   _H3_    41     1.10061   110.44423    64.73231
   46    44 S   CT   _C8_    42     1.52758   111.03025   -57.84832
   47    46 S   HC   _H14    43     1.09857   109.31912  -178.18598
   48    46 S   HC   _H15    44     1.09976   108.35732   -64.56061
   49    44 S   OS1  _O34    59     1.42715   109.18032  -178.19582
   50    46 S   CT   _C9_    45     1.54629   113.52245    57.60908
   51    49 S   CO1  _C14    60     1.41893   111.34758   -89.30486
   52    51 S   HC   _H4_    61     1.09816   107.43717    29.91921
   53    33 S   CT   _C10    46     1.56004   108.77572   158.55241
   54    53 S   HC   _H16    47     1.10175   106.17890   -46.77194
   55    50 S   CT   _C12    51     1.54335   109.44047    75.49633
   56    55 S   HC   _H18    52     1.08298   109.08131   180.00000
   57    55 S   HC   _H19    53     1.08372   109.05497    59.99395
   58    55 S   HC   _H20    54     1.08334   109.00743   -59.99506
   59    50 S   CT   _C13    55     1.55038   107.42779  -169.23212
   60    59 S   HC   _H21    56     1.08219   108.67081  -179.98022
   61    59 S   HC   _H22    57     1.08139   108.66777    60.07776
   62    59 S   HC   _H23    58     1.08068   108.69275   -59.98174
   63    51 S   CT   _C15    62     1.52786   107.87973   149.58438
   64    63 S   HC   _H5_    63     1.09816   110.62962    51.33938
   65    53 S   CO4  _C11    48     1.50854   112.38629    66.71998
   66    65 S   O    _O33    49     1.22659   123.43937  -114.55445
   67    65 S   HC   _H17    50     1.10280   115.62503    65.45082
   68    63 S   CT   _C16    64     1.52863   111.37665   173.90645
   69    68 S   HC   _H6_    65     1.09755   110.86315    74.78609
   70    63 S   OH5  _O39    80     1.42716   109.51201   -66.27887
   71    70 S   HO   _H29    81     0.96979   106.39636   -61.65038
   72    68 S   CT   _C17    66     1.52861   111.18760   -48.54330
   73    72 S   HC   _H7_    67     1.09757   108.96406   -72.66094
   74    68 S   OH5  _O38    78     1.42842   109.18591  -168.23782
   75    74 S   HO   _H28    79     0.96851   106.40049    61.33555
   76    72 S   CT   _C18    68     1.53051   110.83733    49.52349
   77    76 S   HC   _H8_    69     1.09904   110.47756    64.78577
   78    72 S   OH5  _O37    76     1.42613   108.03421   170.62858
   79    78 S   HO   _H27    77     0.96951   106.47408   -60.03360
   80    51 S   OS1  _O35    70     1.42645   109.78877   -89.88870
   81    76 S   CT   _C19    71     1.52590   112.25539  -175.11208
   82    81 S   HC   _H24    72     1.08986   109.88754    60.04354
   83    81 S   HC   _H25    73     1.08975   109.96389   -60.95071
   84    81 S   OH5  _O36    74     1.41645   108.49641   179.52978
   85    84 S   HO   _H26    75     0.97267   106.97588  -179.97202
  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  13   5   4   3
  19   2   1   1  17   7   6   8   3   2   1  13   6  16   6   5
   9  13  13   6  12   5   8   3   2   1   4   2   1   1  12   7
   2   1   1  13   7   4   1  12   7   3   1   9   6   3   1   4
   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    50    53    54    65    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    50    53    54    65    66    67    55    59    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    50    53    54    65    49    51    40    41    42    43  
   39    44    45    46    53    49    40  
   44    45    46    53    49    40  
   41    42    43    44    50    53    54    65  
   42    43    53  
   43    53  
   53  
   45    46    47    48    50    53    55    59    49    51    52    63    80  
   46    47    48    50    49    51  
   47    48    50    53    54    65    55    56    57    58    59    60    61    62    49    51  
   48    50    53    55    59    49  
   50    53    55    59    49  
   51    52    63    64    68    76    80    70    50  
   53    54    65    66    67    55    56    57    58    59    60    61    62  
   52    63    64    68    69    72    76    77    80    81    74    70    71  
   63    64    68    76    80    70  
   54    65    66    67    55    56    57    58    59    60    61    62  
   65    66    67    55    59  
   56    57    58    59    60    61    62    65  
   57    58    59  
   58    59  
   59  
   60    61    62    65  
   61    62  
   62  
    0  
   64    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   66    67  
   67  
    0  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   67   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   335.000  1.422
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    53   268.000  1.529
   50    55   268.000  1.529
   50    59   268.000  1.529
   53    54   340.000  1.090
   53    65   317.000  1.522
   65    66   570.000  1.229
   65    67   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    51   370.000  1.399
   51    52   360.000  1.097
   51    63   255.000  1.525
   51    80   370.000  1.399
   63    64   340.000  1.090
   63    68   268.000  1.529
   63    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    65    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    49    95.00000  107.88500
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    49    51    90.00000  112.10700
   46    44    45    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    50    59    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    65    63.00000  111.10000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    37.50000  110.70000
   53    33    37    58.35000  112.70000
   53    65    66    80.00000  120.40000
   53    65    67    35.00000  115.00000
   65    53    54    35.00000  109.50000
   67    65    66    35.00000  123.00000
   55    50    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    53    58.35000  112.70000
   59    50    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    44    45    55.00000  108.98800
   49    44    46    95.00000  107.88500
   49    51    52    60.00000  105.75400
   49    51    63    90.00000  109.70700
   49    51    80   110.00000  113.16000
   51    63    64    45.00000  109.54000
   51    63    68    70.00000  111.10000
   51    63    70    90.00000  109.42000
   51    80    76    90.00000  112.10700
   63    51    52    45.00000  111.65000
   63    68    69    37.50000  110.70000
   63    68    72    58.35000  112.70000
   63    68    74    90.00000  111.45300
   63    70    71    65.00000  108.53500
   68    63    64    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    51    52    60.00000  105.75400
   80    51    63    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    63    64    60.00000  109.39000
   70    63    68    90.00000  111.45300
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    50   0.44750  1.0 1.0
   29    33    53    50  -0.17800 -1.0 2.0
   29    33    53    50   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    65   0.56750  1.0 1.0
   29    33    53    65  -0.07550 -1.0 2.0
   29    33    53    65   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.56750  1.0 1.0
   33    37    44    46  -0.07550 -1.0 2.0
   33    37    44    46   0.20000  1.0 3.0
   33    37    44    49   0.62750  1.0 1.0
   33    37    44    49  -0.30950 -1.0 2.0
   33    37    44    49   0.27300  1.0 3.0
   33    53    65    66   0.30150 -1.0 2.0
   33    53    65    67   0.74550  1.0 1.0
   33    53    65    67  -0.00500 -1.0 2.0
   37    33    53    50   0.56750  1.0 1.0
   37    33    53    50  -0.07550 -1.0 2.0
   37    33    53    50   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    65  -0.95700  1.0 1.0
   37    33    53    65  -0.18200 -1.0 2.0
   37    33    53    65   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    48   0.15000  1.0 3.0
   37    44   -46    50   0.56750  1.0 1.0
   37    44   -46    50  -0.07550 -1.0 2.0
   37    44   -46    50   0.20000  1.0 3.0
   37    44    49    51   0.06250  1.0 1.0
   37    44    49    51  -0.01100 -1.0 2.0
   37    44    49    51   0.28050  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    49   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    49   0.23400  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    55   0.56750  1.0 1.0
   44    46    50    55  -0.07550 -1.0 2.0
   44    46    50    55   0.20000  1.0 3.0
   44    46    50    59   0.56750  1.0 1.0
   44    46    50    59  -0.07550 -1.0 2.0
   44    46    50    59   0.20000  1.0 3.0
   44    49    51    52   0.37050  1.0 3.0
   44    49    51    63   0.06250  1.0 1.0
   44    49    51    63  -0.01100 -1.0 2.0
   44    49    51    63   0.28050  1.0 3.0
   44    49    51    80  -0.12700  1.0 1.0
   44    49    51    80  -1.16200 -1.0 2.0
   44    49    51    80   0.58800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    49    51   0.37050  1.0 3.0
   46    44    49    51   0.06250  1.0 1.0
   46    44    49    51  -0.01100 -1.0 2.0
   46    44    49    51   0.28050  1.0 3.0
   46    50   -53    33   0.56750  1.0 1.0
   46    50   -53    33  -0.07550 -1.0 2.0
   46    50   -53    33   0.20000  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    65  -0.95700  1.0 1.0
   46    50    53    65  -0.18200 -1.0 2.0
   46    50    53    65   0.29450  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    61   0.15000  1.0 3.0
   46    50    59    62   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    55   0.15000  1.0 3.0
   47    46    50    59   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    46    50    55   0.15000  1.0 3.0
   48    46    50    59   0.15000  1.0 3.0
   50    53    65    66   0.30150 -1.0 2.0
   50    53    65    67   0.74550  1.0 1.0
   50    53    65    67  -0.00500 -1.0 2.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    44   0.56750  1.0 1.0
   53    33   -37    44  -0.07550 -1.0 2.0
   53    33   -37    44   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    43   0.15000  1.0 3.0
   53    50    55    56   0.15000  1.0 3.0
   53    50    55    57   0.15000  1.0 3.0
   53    50    55    58   0.15000  1.0 3.0
   53    50    59    60   0.15000  1.0 3.0
   53    50    59    61   0.15000  1.0 3.0
   53    50    59    62   0.15000  1.0 3.0
   54    53    65    66   0.00000  1.0 1.0
   54    53    65    67   0.00000  1.0 1.0
   55    50    53    33   0.56750  1.0 1.0
   55    50    53    33  -0.07550 -1.0 2.0
   55    50    53    33   0.20000  1.0 3.0
   55    50    53    54   0.15000  1.0 3.0
   55    50    53    65  -0.95700  1.0 1.0
   55    50    53    65  -0.18200 -1.0 2.0
   55    50    53    65   0.29450  1.0 3.0
   55    50    59    60   0.15000  1.0 3.0
   55    50    59    61   0.15000  1.0 3.0
   55    50    59    62   0.15000  1.0 3.0
   59    50    53    33   0.56750  1.0 1.0
   59    50    53    33  -0.07550 -1.0 2.0
   59    50    53    33   0.20000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    65  -0.95700  1.0 1.0
   59    50    53    65  -0.18200 -1.0 2.0
   59    50    53    65   0.29450  1.0 3.0
   59    50    55    56   0.15000  1.0 3.0
   59    50    55    57   0.15000  1.0 3.0
   59    50    55    58   0.15000  1.0 3.0
   49    44    46    47   0.23400  1.0 3.0
   49    44    46    48   0.23400  1.0 3.0
   49    44    46    50   0.62750  1.0 1.0
   49    44    46    50  -0.30950 -1.0 2.0
   49    44    46    50   0.27300  1.0 3.0
   49    51    63    64   0.23400  1.0 3.0
   49    51    63    68   0.62750  1.0 1.0
   49    51    63    68  -0.30950 -1.0 2.0
   49    51    63    68   0.27300  1.0 3.0
   49    51    63    70   1.51850  1.0 1.0
   49    51    80    76  -0.70400  1.0 1.0
   49    51    80    76  -0.90350 -1.0 2.0
   51    63    68    69   0.15000  1.0 3.0
   51    63    68    72   0.56750  1.0 1.0
   51    63    68    72  -0.07550 -1.0 2.0
   51    63    68    72   0.20000  1.0 3.0
   51    63    68    74  -0.47750  1.0 1.0
   51    63    70    71   0.29150  1.0 1.0
   51    63    70    71  -0.28350 -1.0 2.0
   51    63    70    71   0.43600  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    68   0.15000  1.0 3.0
   52    51    63    70   0.23400  1.0 3.0
   52    51    80    76   0.37050  1.0 3.0
   63    51    80    76   0.06250  1.0 1.0
   63    51    80    76  -0.01100 -1.0 2.0
   63    51    80    76   0.28050  1.0 3.0
   63    68    72    73   0.15000  1.0 3.0
   63    68   -72    76   0.56750  1.0 1.0
   63    68   -72    76  -0.07550 -1.0 2.0
   63    68   -72    76   0.20000  1.0 3.0
   63    68    72    78  -0.47750  1.0 1.0
   63    68    74    75   0.29150  1.0 1.0
   63    68    74    75  -0.28350 -1.0 2.0
   63    68    74    75   0.43600  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    72   0.15000  1.0 3.0
   64    63    68    74   0.23400  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   68    63    70    71   0.29150  1.0 1.0
   68    63    70    71  -0.28350 -1.0 2.0
   68    63    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    51   0.06250  1.0 1.0
   72    76   -80    51  -0.01100 -1.0 2.0
   72    76   -80    51   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    51   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    51    63    64   0.23400  1.0 3.0
   80    51   -63    68   0.62750  1.0 1.0
   80    51   -63    68  -0.30950 -1.0 2.0
   80    51   -63    68   0.27300  1.0 3.0
   80    51    63    70   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    51   0.06250  1.0 1.0
   81    76    80    51  -0.01100 -1.0 2.0
   81    76    80    51   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    63    68    69   0.23400  1.0 3.0
   70    63    68    72  -0.47750  1.0 1.0
   70    63    68    74   3.77950  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    53    50   0.56750  1.0 1.0
   40    33    53    50  -0.07550 -1.0 2.0
   40    33    53    50   0.20000  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    65  -0.95700  1.0 1.0
   40    33    53    65  -0.18200 -1.0 2.0
   40    33    53    65   0.29450  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
   35    30    34    36  10.50000 -1.0 2.0
   53    67    65    66  10.50000 -1.0 2.0
END
