* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    155    255     467
    1     0 S   NP   _N1_     1    28.60914    96.09686   -23.92702
    2     1 S   H    _HN1     2     1.02785   105.86660   -84.21306
    3     1 S   H    _H1_     3     1.02949    72.68680    20.52364
    4     1 S   H    _H2_     4     1.02827    37.33242   176.92763
    5     1 S   CT   _CA1     5     1.50116   137.76003   122.04883
    6     5 S   HC   _HA1     6     1.09572   105.20050    91.29176
    7     5 S   CO3  _C1_     7     1.53791   112.42021   -28.95523
    8     7 S   O2Z  _O11     8     1.26374   115.00740   -43.35881
    9     7 S   O2Z  _O12     9     1.26236   114.94532   135.73514
   10     5 S   CT   _CB1    10     1.53074   107.41171  -150.73203
   11    10 S   HC   HB11    11     1.09833   109.39199   -49.66310
   12    10 S   HC   HB12    12     1.09813   110.44475    66.94651
   13    10 S   CT   _CG1    13     1.52986   112.59995  -170.63351
   14    13 S   HC   HG11    14     1.09585   110.62841   -65.21178
   15    13 S   HC   HG12    15     1.09668   109.80410    54.02651
   16    13 S   C    _CD1    16     1.51795   112.20284   174.48719
   17    16 S   O    _OE1    17     1.22734   123.29410     6.50976
   18    16 S   N    _N2_    18     1.38628   111.68444  -173.61871
   19    18 S   H    _HN2    19     1.01594   118.96325     1.57979
   20    18 S   CT1  _CA2    20     1.46201   123.41079   178.12947
   21    20 S   HC   _HA2    21     1.09736   109.41504     3.56238
   22    20 S   C    _C2_    22     1.53557   108.65737  -112.06078
   23    22 S   O    _O2_    23     1.23072   122.24220  -147.44197
   24    20 S   CT   _CB2    32     1.53571   111.48786   125.62215
   25    24 S   HC   HB21    33     1.09259   108.97632    57.33116
   26    24 S   HC   HB22    34     1.09320   109.36737   175.92705
   27    22 S   N    _N3_    24     1.38316   113.74284    39.98510
   28    27 S   H    _HN3    25     1.01583   119.61036    -3.32826
   29    24 S   S    _SG2    35     1.82927   110.89239   -64.33622
   30    27 S   CT   _CA3    26     1.45287   123.18083   177.13597
   31    30 S   HC   HA31    27     1.09550   107.51582   -64.36249
   32    30 S   HC   HA32    28     1.09558   107.96886    52.06117
   33    29 S   CT   _C8_    36     1.91490   103.85578   169.08150
   34    30 S   CO3  _C3_    29     1.52955   114.11280   174.06449
   35    34 S   O2Z  _O31    30     1.26372   116.08586    -0.39515
   36    34 S   O2Z  _O32    31     1.26433   114.40532   179.65452
   37    33 S   CO4  _C7_    37     1.55653   105.47348   -55.18718
   38    37 S   O    _O33    38     1.23491   122.79064   -31.16158
   39    33 S   CT   _C21    71     1.63108   108.90272  -174.05683
   40    37 S   CT   _C6_    39     1.50979   118.34286   154.77085
   41    40 S   HC   _H8_    40     1.09594   108.72316    71.72543
   42    40 S   HC   _H9_    41     1.09743   108.94230  -173.65470
   43    39 S   CT   _C22    72     1.55846   115.84955   -19.51949
   44    43 S   HC   _H21    73     1.09446   112.94918   -52.88570
   45    43 S   HC   _H22    74     1.09926   111.11399  -172.27861
   46    43 S   HC   _H23    75     1.09704   112.39243    69.32940
   47    40 S   CT   _C5_    42     1.52452   112.15368   -51.40146
   48    47 S   CT   _C10    43     1.53404   108.14394    59.27863
   49    48 S   HC   _H4_    44     1.09645   106.60899    60.45489
   50    47 S   CT   _C4_    76     1.53756   110.70400   -68.20606
   51    50 S   HC   _H5_    77     1.09499   111.88429  -168.83004
   52    50 S   HC   _H6_    78     1.08928   112.85969    69.20930
   53    50 S   HC   _H7_    79     1.09665   110.40591   -51.76675
   54    48 S   CT   _C11    45     1.53073   108.31522   173.39886
   55    54 S   HC   _H10    46     1.09438   111.47086  -176.79100
   56    54 S   HC   _H11    47     1.09578   110.76879    65.18571
   57    33 S   CT   _C9_    54     1.58638   107.79029    63.41332
   58    57 S   HC   _H3_    55     1.09428   109.64061   -33.24861
   59    54 S   CT   _C12    48     1.51951   110.34032   -57.15127
   60    59 S   HC   _H12    49     1.09687   109.11706   -78.58590
   61    59 S   HC   _H13    50     1.09582   108.76747   164.16480
   62    57 S   CT   _C14    56     1.54341   109.34772    82.95939
   63    62 S   HC   _H14    57     1.09657   109.30920   -57.36975
   64    62 S   HC   _H15    58     1.09514   111.46097  -171.93248
   65    59 S   CO4  _C13    51     1.50733   116.27376    41.71673
   66    65 S   O    _O34    52     1.22864   121.23486   159.88197
   67    62 S   CT   _C15    59     1.53032   112.73277    64.47824
   68    67 S   HC   _H16    60     1.09653   109.17740  -151.31609
   69    67 S   HC   _H17    61     1.09760   108.68956    92.92135
   70    47 S   OS   _O35    53     1.45421   105.90016   177.18687
   71    67 S   CM   _C16    62     1.51268   112.47610   -29.21940
   72    71 S   CM   _C17    63     1.34330   120.00329   145.54008
   73    72 S   HC   _H18    64     1.08484   121.84929     0.83369
   74    72 S   CO4  _C18    65     1.47757   121.62793  -179.22016
   75    74 S   O    _O36    66     1.22594   121.12645   178.90926
   76    74 S   CM   _C19    67     1.47455   117.72383    -1.32293
   77    76 S   HC   _H19    68     1.08360   117.92828  -178.05670
   78    76 S   CM   _C20    69     1.33714   120.45162     1.66213
   79    78 S   HC   _H20    70     1.08923   117.65583  -178.99051
  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  12   5   4   3
  25   2   1   1  15   6  20  13   5   4  10   4   3   2  16  19
   9   7   3   2   1  11   6   5  11   4   5   4   3   7   5   4
   2   1   7   3   2   1   7   6   3   5   3   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    57    58    62    71    78    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    47    48    49    54    57    58    62    63    64    67    71    72    76    78    79    39    43    44    45    46  
   35    36  
   36  
    0  
   38    40    41    42    47    48    70    57    58    62    71    78    39    43    50  
   40    41    42    47    57    39  
   43    44    45    46    40    48    57    58    62    67    68    69    71    72    73    74    76    77    78    79  
   41    42    47    48    49    54    65    70    57    50    51    52    53  
   42    47    48    70    50  
   47    48    70    50  
   44    45    46    57    67    71    72    76    78    79  
   45    46    71    78  
   46    71    78  
   71    78  
   48    49    54    55    56    59    65    66    70    57    58    62    50    51    52    53  
   49    54    55    56    59    60    61    65    70    57    58    62    63    64    67    50    51    52    53  
   54    55    56    59    70    57    58    62    50  
   51    52    53    54    57    65    70  
   52    53    70  
   53    70  
   70  
   55    56    59    60    61    65    66    70    57    58    62  
   56    59    60    61    65    57  
   59    60    61    65    57  
   58    62    63    64    67    68    69    71    78    59    70  
   62    63    64    67  
   60    61    65    66    70  
   61    65    66    70  
   65    66    70  
   63    64    67    68    69    71    72  
   64    67    68    69    71  
   67    68    69    71  
   66    70  
   70  
   68    69    71    72    73    74    78  
   69    71    72  
   71    72  
    0  
   72    73    74    75    76    78    79  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   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    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   317.000  1.522
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   268.000  1.529
   47    70   320.000  1.410
   47    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.522
   65    66   570.000  1.229
   65    70   214.000  1.327
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.510
   71    72   549.000  1.340
   71    39   317.000  1.510
   72    73   340.000  1.080
   72    74   320.000  1.462
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   78    39   317.000  1.510
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    70.00000  116.00000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    62    58.35000  112.70000
   33    39    71    70.00000  112.02700
   33    39    78    70.00000  112.02700
   33    39    43    58.35000  112.70000
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    47    63.00000  111.10000
   40    37    38    80.00000  120.40000
   40    47    48    58.35000  112.70000
   40    47    70    50.00000  109.50000
   40    47    50    58.35000  112.70000
   42    40    41    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    42    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    54    58.35000  112.70000
   47    48    57    58.35000  112.70000
   47    70    65    83.00000  116.90000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    62    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    65    63.00000  111.10000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    80.00000  120.40000
   59    65    70    81.00000  111.40000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   70    47    48    50.00000  109.50000
   70    65    66    83.00000  123.40000
   57    33    37    63.00000  111.10000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    58.35000  112.70000
   62    57    58    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    72    70.00000  124.00000
   67    71    39    65.00000  117.92700
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    74    65.00000  118.96000
   71    39    78    70.00000  110.12100
   71    39    43    70.00000  112.02700
   72    74    75    80.00000  123.72100
   72    74    76    65.00000  118.65900
   74    72    73    40.00000  117.72500
   74    76    77    40.00000  117.72500
   74    76    78    65.00000  118.96000
   76    74    75    80.00000  123.72100
   76    78    79    35.00000  120.00000
   76    78    39    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    39    43    70.00000  112.02700
   39    33    37    63.00000  111.10000
   39    33    57    58.35000  112.70000
   39    71    72    70.00000  124.00000
   39    78    79    35.00000  117.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   50    47    48    58.35000  112.70000
   50    47    70    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    62   0.44750  1.0 1.0
   29    33    57    62  -0.17800 -1.0 2.0
   29    33    57    62   0.20200  1.0 3.0
   29    33    39    71   0.56750  1.0 1.0
   29    33    39    71  -0.07550 -1.0 2.0
   29    33    39    71   0.20000  1.0 3.0
   29    33    39    78   0.56750  1.0 1.0
   29    33    39    78  -0.07550 -1.0 2.0
   29    33    39    78   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    42   0.00000  1.0 1.0
   33    37    40    47   0.60050  1.0 1.0
   33    37    40    47   0.05600 -1.0 2.0
   33    37    40    47   0.26150  1.0 3.0
   33    57    62    63   0.15000  1.0 3.0
   33    57    62    64   0.15000  1.0 3.0
   33    57    62    67   0.56750  1.0 1.0
   33    57    62    67  -0.07550 -1.0 2.0
   33    57    62    67   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   37    33    57    48  -0.95700  1.0 1.0
   37    33    57    48  -0.18200 -1.0 2.0
   37    33    57    48   0.29450  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    62  -0.95700  1.0 1.0
   37    33    57    62  -0.18200 -1.0 2.0
   37    33    57    62   0.29450  1.0 3.0
   37    33    39    71  -0.98800  1.0 1.0
   37    33    39    71   0.48800 -1.0 2.0
   37    33    39    71   0.76800  1.0 3.0
   37    33    39    78  -0.98800  1.0 1.0
   37    33    39    78   0.48800 -1.0 2.0
   37    33    39    78   0.76800  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    40   -47    48  -0.95700  1.0 1.0
   37    40   -47    48  -0.18200 -1.0 2.0
   37    40   -47    48   0.29450  1.0 3.0
   37    40    47    70  -0.09450  1.0 1.0
   37    40    47    70  -1.12950 -1.0 2.0
   37    40    47    70   0.54000  1.0 3.0
   37    40    47    50  -0.95700  1.0 1.0
   37    40    47    50  -0.18200 -1.0 2.0
   37    40    47    50   0.29450  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    47   0.30150 -1.0 2.0
   40    47    48    49   0.15000  1.0 3.0
   40    47    48    54   0.56750  1.0 1.0
   40    47    48    54  -0.07550 -1.0 2.0
   40    47    48    54   0.20000  1.0 3.0
   40    47    48    57   0.56750  1.0 1.0
   40    47    48    57  -0.07550 -1.0 2.0
   40    47    48    57   0.20000  1.0 3.0
   40    47    70    65  -0.25900  1.0 1.0
   40    47    70    65  -0.47000 -1.0 2.0
   40    47    70    65   0.11750  1.0 3.0
   40    47    50    51   0.15000  1.0 3.0
   40    47    50    52   0.15000  1.0 3.0
   40    47    50    53   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    70   0.23400  1.0 3.0
   41    40    47    50   0.15000  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    70   0.23400  1.0 3.0
   42    40    47    50   0.15000  1.0 3.0
   47    48    54    55   0.15000  1.0 3.0
   47    48    54    56   0.15000  1.0 3.0
   47    48    54    59   0.56750  1.0 1.0
   47    48    54    59  -0.07550 -1.0 2.0
   47    48    54    59   0.20000  1.0 3.0
   47    48   -57    33   0.56750  1.0 1.0
   47    48   -57    33  -0.07550 -1.0 2.0
   47    48   -57    33   0.20000  1.0 3.0
   47    48    57    58   0.15000  1.0 3.0
   47    48    57    62   0.56750  1.0 1.0
   47    48    57    62  -0.07550 -1.0 2.0
   47    48    57    62   0.20000  1.0 3.0
   48    47    70    65  -0.25900  1.0 1.0
   48    47    70    65  -0.47000 -1.0 2.0
   48    47    70    65   0.11750  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   48    54    59    60   0.15000  1.0 3.0
   48    54    59    61   0.15000  1.0 3.0
   48    54   -59    65  -0.95700  1.0 1.0
   48    54   -59    65  -0.18200 -1.0 2.0
   48    54   -59    65   0.29450  1.0 3.0
   48    57    62    63   0.15000  1.0 3.0
   48    57    62    64   0.15000  1.0 3.0
   48    57    62    67   0.56750  1.0 1.0
   48    57    62    67  -0.07550 -1.0 2.0
   48    57    62    67   0.20000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    59   0.15000  1.0 3.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    62   0.15000  1.0 3.0
   54    48    57    33   0.56750  1.0 1.0
   54    48    57    33  -0.07550 -1.0 2.0
   54    48    57    33   0.20000  1.0 3.0
   54    48    57    58   0.15000  1.0 3.0
   54    48    57    62   0.56750  1.0 1.0
   54    48    57    62  -0.07550 -1.0 2.0
   54    48    57    62   0.20000  1.0 3.0
   54    59    65    66   0.30150 -1.0 2.0
   54    59    65    70   0.36750  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    65  -0.11250  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    65  -0.11250  1.0 3.0
   59    65   -70    47   1.63150  1.0 1.0
   59    65   -70    47   2.92000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    70   0.00000  1.0 1.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    70   0.00000  1.0 1.0
   66    65    70    47   3.00000 -1.0 2.0
   70    47    48    49   0.23400  1.0 3.0
   70    47   -48    54   0.62750  1.0 1.0
   70    47   -48    54  -0.30950 -1.0 2.0
   70    47   -48    54   0.27300  1.0 3.0
   70    47    48    57   0.62750  1.0 1.0
   70    47    48    57  -0.30950 -1.0 2.0
   70    47    48    57   0.27300  1.0 3.0
   70    47    50    51   0.23400  1.0 3.0
   70    47    50    52   0.23400  1.0 3.0
   70    47    50    53   0.23400  1.0 3.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    40   0.60050  1.0 1.0
   57    33   -37    40   0.05600 -1.0 2.0
   57    33   -37    40   0.26150  1.0 3.0
   57    33    39    71   0.34400  1.0 1.0
   57    33    39    71   0.09450 -1.0 2.0
   57    33    39    71   0.11100  1.0 3.0
   57    33    39    78   0.34400  1.0 1.0
   57    33    39    78   0.09450 -1.0 2.0
   57    33    39    78   0.11100  1.0 3.0
   57    33    39    43   0.56750  1.0 1.0
   57    33    39    43  -0.07550 -1.0 2.0
   57    33    39    43   0.20000  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    59   0.56750  1.0 1.0
   57    48    54    59  -0.07550 -1.0 2.0
   57    48    54    59   0.20000  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62   -67    71   0.34400  1.0 1.0
   57    62   -67    71   0.09450 -1.0 2.0
   57    62   -67    71   0.11100  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   62    67    71    72   0.09850  1.0 1.0
   62    67    71    72   0.15250 -1.0 2.0
   62    67    71    72  -0.50650  1.0 3.0
   62    67    71    39   0.46850  1.0 1.0
   62    67    71    39   0.08550 -1.0 2.0
   62    67    71    39   0.09800  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    71   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    71   0.15000  1.0 3.0
   67    71    72    73   7.00000 -1.0 2.0
   67    71    72    74   7.00000 -1.0 2.0
   67    71   -39    33   0.46850  1.0 1.0
   67    71   -39    33   0.08550 -1.0 2.0
   67    71   -39    33   0.09800  1.0 3.0
   67    71    39    78   0.09700  1.0 1.0
   67    71    39    78   0.15600 -1.0 2.0
   67    71    39    78  -0.50800  1.0 3.0
   67    71    39    43   0.46850  1.0 1.0
   67    71    39    43   0.08550 -1.0 2.0
   67    71    39    43   0.09800  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    39   0.34800  1.0 3.0
   69    67    71    72   0.00000  1.0 1.0
   69    67    71    39   0.34800  1.0 3.0
   71    72    74    75   1.00000 -1.0 2.0
   71    72    74    76  -1.18350  1.0 1.0
   71    72    74    76   1.45950 -1.0 2.0
   71    39    43    44   0.15000  1.0 3.0
   71    39    43    45   0.15000  1.0 3.0
   71    39    43    46   0.15000  1.0 3.0
   72    71    39    33   0.09850  1.0 1.0
   72    71    39    33   0.15250 -1.0 2.0
   72    71    39    33  -0.50650  1.0 3.0
   72    71    39    78  -0.28300  1.0 1.0
   72    71    39    78   0.26700 -1.0 2.0
   72    71    39    78  -0.63300  1.0 3.0
   72    71    39    43   0.09850  1.0 1.0
   72    71    39    43   0.15250 -1.0 2.0
   72    71    39    43  -0.50650  1.0 3.0
   72    74    76    77   0.93700 -1.0 2.0
   72    74   -76    78  -1.18350  1.0 1.0
   72    74   -76    78   1.45950 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.93700 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   74    76    78    39   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   1.00000 -1.0 2.0
   76    78    39    33   0.09850  1.0 1.0
   76    78    39    33   0.15250 -1.0 2.0
   76    78    39    33  -0.50650  1.0 3.0
   76    78   -39    71  -0.28300  1.0 1.0
   76    78   -39    71   0.26700 -1.0 2.0
   76    78   -39    71  -0.63300  1.0 3.0
   76    78    39    43   0.09850  1.0 1.0
   76    78    39    43   0.15250 -1.0 2.0
   76    78    39    43  -0.50650  1.0 3.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    39   7.00000 -1.0 2.0
   78    39    43    44   0.15000  1.0 3.0
   78    39    43    45   0.15000  1.0 3.0
   78    39    43    46   0.15000  1.0 3.0
   79    78    39    33   0.00000  1.0 1.0
   79    78    39    71   0.00000  1.0 1.0
   79    78    39    43   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.60050  1.0 1.0
   39    33    37    40   0.05600 -1.0 2.0
   39    33    37    40   0.26150  1.0 3.0
   39    33    57    48   0.56750  1.0 1.0
   39    33    57    48  -0.07550 -1.0 2.0
   39    33    57    48   0.20000  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33   -57    62   0.56750  1.0 1.0
   39    33   -57    62  -0.07550 -1.0 2.0
   39    33   -57    62   0.20000  1.0 3.0
   39    71    72    73   7.00000 -1.0 2.0
   39    71   -72    74   7.00000 -1.0 2.0
   50    47    48    49   0.15000  1.0 3.0
   50    47    48    54   0.56750  1.0 1.0
   50    47    48    54  -0.07550 -1.0 2.0
   50    47    48    54   0.20000  1.0 3.0
   50    47    48    57   0.56750  1.0 1.0
   50    47    48    57  -0.07550 -1.0 2.0
   50    47    48    57   0.20000  1.0 3.0
   50    47    70    65  -0.25900  1.0 1.0
   50    47    70    65  -0.47000 -1.0 2.0
   50    47    70    65   0.11750  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
   33    40    37    38  10.50000 -1.0 2.0
   59    70    65    66  10.50000 -1.0 2.0
   67    39    71    72   1.10000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    77    76    78   1.10000 -1.0 2.0
   39    79    78    76   1.10000 -1.0 2.0
END
