* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    223     431
    1     0 S   NP   _N1_     1    28.18274    96.10870   -20.13235
    2     1 S   H    _HN1     2     1.02954    82.04021     1.94300
    3     1 S   H    _H1_     3     1.02838    40.98764   129.74788
    4     1 S   H    _H2_     4     1.02778    86.17744  -107.17818
    5     1 S   CT   _CA1     5     1.50129   151.48254   120.68270
    6     5 S   HC   _HA1     6     1.09573   105.22915    65.61036
    7     5 S   CO3  _C1_     7     1.53851   112.23411   -54.58687
    8     7 S   O2Z  _O11     8     1.26373   114.96749   -46.03764
    9     7 S   O2Z  _O12     9     1.26222   114.96111   132.94700
   10     5 S   CT   _CB1    10     1.53113   107.40458  -176.48743
   11    10 S   HC   HB11    11     1.09818   109.49070   -49.91008
   12    10 S   HC   HB12    12     1.09813   110.41681    66.72995
   13    10 S   CT   _CG1    13     1.52950   112.50552  -170.92974
   14    13 S   HC   HG11    14     1.09401   110.33482   -61.42550
   15    13 S   HC   HG12    15     1.09646   109.98832    57.56761
   16    13 S   C    _CD1    16     1.51797   112.44324   177.95168
   17    16 S   O    _OE1    17     1.22740   123.26095    -4.93693
   18    16 S   N    _N2_    18     1.38528   111.70408   175.49298
   19    18 S   H    _HN2    19     1.01644   118.89797     3.85559
   20    18 S   CT1  _CA2    20     1.45887   123.06072   175.99709
   21    20 S   HC   _HA2    21     1.09719   109.19490    19.52356
   22    20 S   C    _C2_    22     1.52913   106.92220   -97.35727
   23    22 S   O    _O2_    23     1.22962   123.08551   -25.60878
   24    20 S   CT   _CB2    32     1.53170   111.78713   142.92332
   25    24 S   HC   HB21    33     1.09200   109.49818    53.04541
   26    24 S   HC   HB22    34     1.09532   110.59299   170.70388
   27    22 S   N    _N3_    24     1.38491   112.50428   157.09366
   28    27 S   H    _HN3    25     1.01651   120.37268    -2.25733
   29    24 S   S    _SG2    35     1.82989   110.57792   -71.02246
   30    27 S   CT   _CA3    26     1.45357   122.51704   178.54236
   31    30 S   HC   HA31    27     1.09565   107.85698   -55.05550
   32    30 S   HC   HA32    28     1.09560   107.58298    61.30299
   33    29 S   CT   _C12    36     1.90092   103.32167   134.09715
   34    30 S   CO3  _C3_    29     1.52896   114.26942  -176.95380
   35    34 S   O2Z  _O31    30     1.26344   116.03707     0.80891
   36    34 S   O2Z  _O32    31     1.26433   114.42393  -179.23844
   37    33 S   CO4  _C13    37     1.54510   103.40653   -64.64566
   38    37 S   O    _O33    38     1.23222   122.30222    93.50290
   39    33 S   CT   _C7_    52     1.57280   110.66255    55.76365
   40    39 S   HC   _H3_    53     1.09663   107.25818   -43.56597
   41    37 S   CM   _C14    39     1.49686   118.86829   -82.55289
   42    39 S   CM   _C5_    54     1.54518   119.52591  -160.22024
   43    41 S   CM   _C15    40     1.34137   121.53429    -0.95654
   44    42 S   CM   _C6_    55     1.34349   126.99886   -19.06433
   45    44 S   HC   _H8_    56     1.08640   120.89630   178.76489
   46    44 S   HC   _H9_    57     1.07930   123.85722    -0.70610
   47    42 S   CT   _C4_    58     1.51378   114.92249   158.28174
   48    47 S   HC   _H5_    59     1.09503   110.34308   -53.44530
   49    47 S   HC   _H6_    60     1.09349   111.04973    67.13912
   50    47 S   HC   _H7_    61     1.09565   112.30122  -172.82974
   51    41 S   OS   _O36    76     1.38456   117.12132   171.73927
   52    43 S   CO4  _C16    41     1.49371   120.88601   -10.13983
   53    52 S   O    _O34    42     1.22803   119.13556   169.86490
   54    43 S   OS   _O35    71     1.38399   121.43227   175.51686
   55    51 S   CT   _C18    77     1.42556   110.59447    87.28502
   56    55 S   HC   _H17    78     1.09390   107.92804   179.56121
   57    55 S   HC   _H18    79     1.09546   110.92861    61.24775
   58    55 S   HC   _H19    80     1.09501   111.36751   -61.87759
   59    33 S   CT   _C11    43     1.56626   108.95925   179.28236
   60    59 S   HC   _H4_    44     1.09910   106.75303   168.12396
   61    54 S   CT   _C17    72     1.42658   110.56525   -96.78277
   62    61 S   HC   _H14    73     1.09380   107.92254   178.39624
   63    61 S   HC   _H15    74     1.09464   111.08247    59.94416
   64    61 S   HC   _H16    75     1.09477   111.34824   -63.11877
   65    59 S   CT   _C10    45     1.57873   117.18733   -76.51425
   66    65 S   CT   _C9_    46     1.55425   108.74471   -45.05758
   67    66 S   HC   _H12    47     1.09713   110.24547   -70.11956
   68    66 S   HC   _H13    48     1.09834   110.09723   173.18163
   69    65 S   CM   _C20    62     1.53997   109.11525  -166.15769
   70    69 S   HC   _H23    63     1.08905   115.94970   -63.27823
   71    65 S   CT   _C19    67     1.54666   114.75352    76.03252
   72    71 S   HC   _H20    68     1.09085   113.19948   -67.57597
   73    71 S   HC   _H21    69     1.09819   110.57703   173.89658
   74    71 S   HC   _H22    70     1.09355   112.82744    54.79057
   75    66 S   CT   _C8_    49     1.52597   113.90562    51.07544
   76    75 S   HC   _H10    50     1.09504   110.32262    62.78633
   77    75 S   HC   _H11    51     1.09602   108.51125   176.83337
   78    69 S   CM   _C21    64     1.33994   128.74005   118.13095
   79    78 S   HC   _H24    65     1.08566   119.87822   179.32420
   80    78 S   HC   _H25    66     1.08263   123.24070    -0.25869
  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
  21   2   1   1  14   5  20   8  11  12  12   7   2   1   4   2
   1   1   6   9   4   5   3   2   1   1  13   4   3   2   1   1
  15  12   6   5   9   4   5   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    59    60    65    75    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    43    52    53    59    60    65    66    75    76    77    39    40    42    44    47    69    71    51  
   35    36  
   36  
    0  
   38    41    43    52    59    60    65    75    39    40    42    54    51    55  
   41    43    59    39    51  
   40    42    44    45    46    47    48    49    50    41    52    59    60    65    66    67    68    75    76    77  
   42    44    47    59    66    75    76    77  
   43    52    53    59    54    61    51    55    56    57    58  
   44    45    46    47    48    49    50    59    66    75    76    77  
   52    53    59    60    65    54    61    62    63    64    51    55  
   45    46    47    48    49    50    75  
   46    47  
   47  
   48    49    50    75  
   49    50  
   50  
    0  
   55    56    57    58    52    54  
   53    59    60    65    66    69    71    54    61  
   59    60    65    54  
   61    62    63    64    59  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    75    69    70    78    71    72    73    74  
   65    66    69    71  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    75    76    77    69    70    78    79    80    71    72    73    74  
   67    68    75    76    77    69    70    78    71    72    73    74  
   68    75    76    77    69    71  
   75    76    77    69    71  
   70    78    79    80    71    72    73    74    75  
   78    79    80    71  
   72    73    74    75    78  
   73    74  
   74  
    0  
   76    77  
   77  
    0  
   79    80  
   80  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   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    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    43   549.000  1.340
   41    51   440.000  1.360
   43    52   320.000  1.462
   43    54   440.000  1.360
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   268.000  1.529
   65    69   317.000  1.510
   65    71   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.510
   42    44   549.000  1.340
   42    47   317.000  1.510
   44    45   340.000  1.080
   44    46   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   69    70   340.000  1.080
   69    78   549.000  1.340
   78    79   340.000  1.080
   78    80   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    59    52    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    65    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  112.02700
   37    41    43    65.00000  118.96000
   37    41    51    85.00000  116.28000
   41    37    38    80.00000  123.72100
   41    43    52    65.00000  118.96000
   41    43    54    80.00000  120.01400
   41    51    55    90.00000  111.18400
   43    52    53    80.00000  123.72100
   43    52    59    65.00000  118.62400
   43    54    61    90.00000  111.18400
   52    59    60    35.00000  109.50000
   52    59    65    63.00000  111.10000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   59    65    66    58.35000  112.70000
   59    65    69    70.00000  112.02700
   59    65    71    58.35000  112.70000
   65    59    60    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    75    58.35000  112.70000
   65    69    70    35.00000  117.00000
   65    69    78    70.00000  124.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    68    37.50000  110.70000
   75    39    40    37.50000  110.70000
   75    39    42    70.00000  112.02700
   77    75    76    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   39    42    44    70.00000  124.00000
   39    42    47    65.00000  117.92700
   42    39    40    35.00000  109.50000
   42    44    45    35.00000  120.00000
   42    44    46    35.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   46    44    45    35.00000  117.00000
   47    42    44    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   69    65    66    70.00000  112.02700
   69    78    79    35.00000  120.00000
   69    78    80    35.00000  120.00000
   78    69    70    35.00000  120.00000
   80    78    79    35.00000  117.00000
   71    65    66    58.35000  112.70000
   71    65    69    70.00000  112.02700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    43    52    85.00000  116.28000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    41    43    80.00000  120.01400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    65   0.44750  1.0 1.0
   29    33    59    65  -0.17800 -1.0 2.0
   29    33    59    65   0.20200  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    43  -0.33500  1.0 1.0
   33    37    41    43   1.06600 -1.0 2.0
   33    37    41    43  -0.14000  1.0 3.0
   33    37    41    51   0.32450 -1.0 2.0
   33    37    41    51   0.17400  1.0 3.0
   33    59    65    66   0.56750  1.0 1.0
   33    59    65    66  -0.07550 -1.0 2.0
   33    59    65    66   0.20000  1.0 3.0
   33    59    65    69   0.34400  1.0 1.0
   33    59    65    69   0.09450 -1.0 2.0
   33    59    65    69   0.11100  1.0 3.0
   33    59    65    71   0.56750  1.0 1.0
   33    59    65    71  -0.07550 -1.0 2.0
   33    59    65    71   0.20000  1.0 3.0
   33    39    42    44   0.09850  1.0 1.0
   33    39    42    44   0.15250 -1.0 2.0
   33    39    42    44  -0.50650  1.0 3.0
   33    39    42    47   0.46850  1.0 1.0
   33    39    42    47   0.08550 -1.0 2.0
   33    39    42    47   0.09800  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.11250  1.0 3.0
   37    33    59    65  -0.95700  1.0 1.0
   37    33    59    65  -0.18200 -1.0 2.0
   37    33    59    65   0.29450  1.0 3.0
   37    33    39    75  -0.95700  1.0 1.0
   37    33    39    75  -0.18200 -1.0 2.0
   37    33    39    75   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41   -43    52   7.00000 -1.0 2.0
   37    41    43    54   7.00000 -1.0 2.0
   37    41    51    55   0.15100 -1.0 2.0
   38    37    41    43   1.00000 -1.0 2.0
   38    37    41    51  -0.11900  1.0 1.0
   38    37    41    51   0.76850 -1.0 2.0
   38    37    41    51   0.14100  1.0 3.0
   41    43    52    53   1.00000 -1.0 2.0
   41    43    52    59  -0.33500  1.0 1.0
   41    43    52    59   1.06600 -1.0 2.0
   41    43    52    59  -0.14000  1.0 3.0
   41    43    54    61  -2.26850  1.0 1.0
   41    43    54    61   3.39050 -1.0 2.0
   41    51    55    56   0.08050  1.0 3.0
   41    51    55    57   0.08050  1.0 3.0
   41    51    55    58   0.08050  1.0 3.0
   43    41    51    55  -2.26850  1.0 1.0
   43    41    51    55   3.39050 -1.0 2.0
   43    52   -59    33   0.65300  1.0 1.0
   43    52   -59    33  -0.03850 -1.0 2.0
   43    52   -59    33   0.33900  1.0 3.0
   43    52    59    60   0.00000  1.0 1.0
   43    52    59    65   0.65300  1.0 1.0
   43    52    59    65  -0.03850 -1.0 2.0
   43    52    59    65   0.33900  1.0 3.0
   43    54    61    62   0.08050  1.0 3.0
   43    54    61    63   0.08050  1.0 3.0
   43    54    61    64   0.08050  1.0 3.0
   52    43    54    61   0.15100 -1.0 2.0
   52    59    65    66  -0.95700  1.0 1.0
   52    59    65    66  -0.18200 -1.0 2.0
   52    59    65    66   0.29450  1.0 3.0
   52    59    65    69  -0.98800  1.0 1.0
   52    59    65    69   0.48800 -1.0 2.0
   52    59    65    69   0.76800  1.0 3.0
   52    59    65    71  -0.95700  1.0 1.0
   52    59    65    71  -0.18200 -1.0 2.0
   52    59    65    71   0.29450  1.0 3.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.30150 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    41   0.65300  1.0 1.0
   59    33   -37    41  -0.03850 -1.0 2.0
   59    33   -37    41   0.33900  1.0 3.0
   59    33    39    75   0.56750  1.0 1.0
   59    33    39    75  -0.07550 -1.0 2.0
   59    33    39    75   0.20000  1.0 3.0
   59    33    39    40   0.15000  1.0 3.0
   59    33    39    42   0.34400  1.0 1.0
   59    33    39    42   0.09450 -1.0 2.0
   59    33    39    42   0.11100  1.0 3.0
   59    65    66    67   0.15000  1.0 3.0
   59    65    66    68   0.15000  1.0 3.0
   59    65   -66    75   0.56750  1.0 1.0
   59    65   -66    75  -0.07550 -1.0 2.0
   59    65   -66    75   0.20000  1.0 3.0
   59    65    69    70   0.00000  1.0 1.0
   59    65    69    78   0.09850  1.0 1.0
   59    65    69    78   0.15250 -1.0 2.0
   59    65    69    78  -0.50650  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    74   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    69   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   65    66    75    76   0.15000  1.0 3.0
   65    66    75    77   0.15000  1.0 3.0
   65    66    75    39   0.56750  1.0 1.0
   65    66    75    39  -0.07550 -1.0 2.0
   65    66    75    39   0.20000  1.0 3.0
   65    69    78    79   7.00000 -1.0 2.0
   65    69    78    80   7.00000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    78   0.09850  1.0 1.0
   66    65    69    78   0.15250 -1.0 2.0
   66    65    69    78  -0.50650  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   66    75   -39    33   0.56750  1.0 1.0
   66    75   -39    33  -0.07550 -1.0 2.0
   66    75   -39    33   0.20000  1.0 3.0
   66    75    39    40   0.15000  1.0 3.0
   66    75    39    42   0.34400  1.0 1.0
   66    75    39    42   0.09450 -1.0 2.0
   66    75    39    42   0.11100  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    39   0.15000  1.0 3.0
   68    66    75    76   0.15000  1.0 3.0
   68    66    75    77   0.15000  1.0 3.0
   68    66    75    39   0.15000  1.0 3.0
   75    39    42    44   0.09850  1.0 1.0
   75    39    42    44   0.15250 -1.0 2.0
   75    39    42    44  -0.50650  1.0 3.0
   75    39    42    47   0.46850  1.0 1.0
   75    39    42    47   0.08550 -1.0 2.0
   75    39    42    47   0.09800  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    42   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    42   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33   -59    65   0.56750  1.0 1.0
   39    33   -59    65  -0.07550 -1.0 2.0
   39    33   -59    65   0.20000  1.0 3.0
   39    42    44    45   7.00000 -1.0 2.0
   39    42    44    46   7.00000 -1.0 2.0
   39    42    47    48   0.34800  1.0 3.0
   39    42    47    49   0.34800  1.0 3.0
   39    42    47    50   0.34800  1.0 3.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    47   0.34800  1.0 3.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    49   0.00000  1.0 1.0
   44    42    47    50   0.00000  1.0 1.0
   47    42    44    45   7.00000 -1.0 2.0
   47    42    44    46   7.00000 -1.0 2.0
   69    65    66    67   0.15000  1.0 3.0
   69    65    66    68   0.15000  1.0 3.0
   69    65    66    75   0.34400  1.0 1.0
   69    65    66    75   0.09450 -1.0 2.0
   69    65    66    75   0.11100  1.0 3.0
   69    65    71    72   0.15000  1.0 3.0
   69    65    71    73   0.15000  1.0 3.0
   69    65    71    74   0.15000  1.0 3.0
   70    69    78    79   7.00000 -1.0 2.0
   70    69    78    80   7.00000 -1.0 2.0
   71    65    66    67   0.15000  1.0 3.0
   71    65    66    68   0.15000  1.0 3.0
   71    65    66    75   0.56750  1.0 1.0
   71    65    66    75  -0.07550 -1.0 2.0
   71    65    66    75   0.20000  1.0 3.0
   71    65    69    70   0.00000  1.0 1.0
   71    65    69    78   0.09850  1.0 1.0
   71    65    69    78   0.15250 -1.0 2.0
   71    65    69    78  -0.50650  1.0 3.0
   54    43    52    53  -0.11900  1.0 1.0
   54    43    52    53   0.76850 -1.0 2.0
   54    43    52    53   0.14100  1.0 3.0
   54    43    52    59   0.32450 -1.0 2.0
   54    43    52    59   0.17400  1.0 3.0
   51    41    43    52   7.00000 -1.0 2.0
   51    41    43    54   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    51    41    43   1.10000 -1.0 2.0
   52    54    43    41   1.10000 -1.0 2.0
   43    59    52    53  10.50000 -1.0 2.0
   39    47    42    44  15.00000 -1.0 2.0
   45    46    44    42  15.00000 -1.0 2.0
   65    70    69    78  15.00000 -1.0 2.0
   79    80    78    69  15.00000 -1.0 2.0
END
