* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    236     440
    1     0 S   NP   _N1_     1    29.07621    93.22201   -19.26461
    2     1 S   H    _HN1     2     1.02950   107.48733    22.96635
    3     1 S   H    _H1_     3     1.02854    35.62269   118.12703
    4     1 S   H    _H2_     4     1.02779    74.22308   -81.66802
    5     1 S   CT   _CA1     5     1.50029   136.29922   172.55091
    6     5 S   HC   _HA1     6     1.09572   105.37769    29.24033
    7     5 S   CO3  _C1_     7     1.53888   112.02500   -91.16970
    8     7 S   O2Z  _O11     8     1.26367   115.07736   -53.82181
    9     7 S   O2Z  _O12     9     1.26205   114.69710   125.54332
   10     5 S   CT   _CB1    10     1.53061   107.51417   147.14794
   11    10 S   HC   HB11    11     1.09819   109.70811   -50.79995
   12    10 S   HC   HB12    12     1.09839   110.20764    65.69754
   13    10 S   CT   _CG1    13     1.53106   112.59733  -171.92676
   14    13 S   HC   HG11    14     1.09589   110.35458   -53.20545
   15    13 S   HC   HG12    15     1.09581   110.35950    66.06048
   16    13 S   C    _CD1    16     1.51725   111.59060  -173.55211
   17    16 S   O    _OE1    17     1.22765   123.00278   -18.47498
   18    16 S   N    _N2_    18     1.38608   111.92985   161.42404
   19    18 S   H    _HN2    19     1.01575   119.22036     4.38405
   20    18 S   CT1  _CA2    20     1.46258   123.05407  -172.22534
   21    20 S   HC   _HA2    21     1.09724   109.35487   -14.64278
   22    20 S   C    _C2_    22     1.53270   108.66431  -130.78960
   23    22 S   O    _O2_    23     1.23008   122.20865  -145.76330
   24    20 S   CT   _CB2    32     1.53700   111.06372   106.94432
   25    24 S   HC   HB21    33     1.09382   109.26907    60.02357
   26    24 S   HC   HB22    34     1.09515   110.44403   178.53073
   27    22 S   N    _N3_    24     1.38498   113.33352    41.57783
   28    27 S   H    _HN3    25     1.01535   118.90240    -0.52749
   29    24 S   S    _SG2    35     1.82865   111.45923   -61.49969
   30    27 S   CT   _CA3    26     1.45446   123.38629   175.07172
   31    30 S   HC   HA31    27     1.09529   109.14718    25.89277
   32    30 S   HC   HA32    28     1.09493   107.13890   142.88875
   33    29 S   CT   _C13    36     1.84200   100.67364   169.28322
   34    33 S   HC   _H3_    37     1.09654   107.15000    45.50433
   35    30 S   CO3  _C3_    29     1.52938   113.20257   -97.51855
   36    35 S   O2Z  _O31    30     1.26396   115.44803   -43.33055
   37    35 S   O2Z  _O32    31     1.26363   114.95167   137.61506
   38    33 S   CT   _C10    38     1.53691   112.28368   -73.51406
   39    38 S   HC   _H29    39     1.09482   109.48435    51.92553
   40    33 S   CT   _C12    52     1.54555   109.24672   162.44396
   41    40 S   HC   _H31    53     1.09934   109.77570   -47.93164
   42    38 S   CM   _C5_    40     1.51649   113.85000   -72.28683
   43    40 S   OS   _O23    54     1.44702   109.99832  -165.96998
   44    38 S   OH   _O22    78     1.43122   108.65605   165.74592
   45    44 S   HO   _H45    79     0.97267   107.66207   177.94414
   46    42 S   CM   _C4_    41     1.34517   118.33672   133.88634
   47    46 S   HC   _H25    42     1.08580   121.44063    -1.17952
   48    43 S   CO4  _C8_    55     1.36191   117.81170    81.33338
   49    48 S   O    _O20    56     1.22302   126.44536     0.39762
   50    46 S   CO4  _C6_    43     1.47845   123.15797   174.30839
   51    50 S   O    _O18    44     1.22503   120.20951  -172.37445
   52    48 S   CT   _C17    57     1.49817   109.41284  -179.47961
   53    52 S   HC   _H33    58     1.09292   109.82333   -60.71817
   54    52 S   HC   _H34    59     1.09374   109.37515  -179.77794
   55    52 S   HC   _H35    60     1.09294   109.79626    61.15110
   56    50 S   C3T  _C15    45     1.48912   116.24143     5.59265
   57    56 S   CT   _C9_    46     1.51245   117.09050    19.81696
   58    57 S   HC   _H27    47     1.09413   111.20702  -168.63878
   59    57 S   HC   _H28    48     1.09827   106.61756    75.95587
   60    56 S   C3T  _C16    69     1.55081   120.79153   179.78878
   61    42 S   CT   _C14    49     1.53307   118.07713   -47.70247
   62    56 S   O3T  _O21    70     1.43559   113.19677  -115.56339
   63    60 S   CO4  _C7_    71     1.48745   119.98599    -0.06561
   64    63 S   O    _O19    72     1.22508   121.40255  -110.46882
   65    63 S   HC   _H26    73     1.10296   116.88130    70.95855
   66    60 S   CT   _C20    74     1.50599   120.21705  -161.38590
   67    66 S   HC   _H42    75     1.09452   112.51614   -53.11838
   68    66 S   HC   _H43    76     1.09545   110.58233  -172.42757
   69    66 S   HC   _H44    77     1.09451   110.08417    68.38207
   70    61 S   CT   _C11    50     1.57929   110.63857    42.57957
   71    70 S   HC   _H30    51     1.09941   106.71715    73.43847
   72    61 S   CT   _C19    65     1.54698   108.51177   -81.36571
   73    72 S   HC   _H39    66     1.09550   111.56626  -169.58301
   74    72 S   HC   _H40    67     1.09236   112.75377    69.67651
   75    72 S   HC   _H41    68     1.09630   111.53838   -50.17510
   76    70 S   CT   _C18    61     1.53950   113.60129  -170.89903
   77    76 S   HC   _H36    62     1.09410   112.26952    64.33280
   78    76 S   HC   _H37    63     1.09349   111.62838   -57.35041
   79    76 S   HC   _H38    64     1.09592   110.24622  -175.99821
  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  10   5   4   3
  15   8   2   1   1  14   6  16   6  18  10   3   1  10   4   6
   4  10   4   3   2   1   1  15  14   6   5   9  11   7   6   2
   1   3   2   1   1   9   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    61    70    71    40    41    43    48    76    44    45  
   38    39    42    70    40    41    43    44  
   36    37  
   37  
    0  
   39    42    46    47    50    57    61    70    40    41    43    72    44    45  
   42    46    61    40    44    45  
   41    43    48    49    52    76    77    78    79    72    44    42    57    61    70    71  
   43    48    76    61    70    71  
   46    47    50    51    56    57    58    59    61    70    71    76    72    73    74    75    44    45  
   48    49    52    53    54    55    76    61    70    71  
   45    46    61  
    0  
   47    50    51    56    57    61    70    72    60    62  
   50    51    56    61  
   49    52    53    54    55    70  
   52    53    54    55  
   51    56    57    58    59    61    60    62    63    66  
   56    57    60    62  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    61    70    72    60    62    63    64    65    66    67    68    69  
   58    59    61    70    71    76    72    73    74    75    60    62    63    66  
   59    61    70    72    60    62  
   61    70    72    60    62  
   62    63    64    65    66    67    68    69    61  
   70    71    76    77    78    79    72    73    74    75    62  
   63    64    65    66    67    68    69  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    78    79    72    73    74    75  
   76    77    78    79    72  
   73    74    75    76  
   74    75  
   75  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   63   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    44   320.000  1.410
   42    46   549.000  1.340
   42    61   317.000  1.510
   46    47   340.000  1.080
   46    50   320.000  1.462
   50    51   570.000  1.229
   50    56   290.000  1.496
   56    57   275.000  1.510
   56    60   260.000  1.509
   56    62   335.000  1.432
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    70   268.000  1.529
   61    72   268.000  1.529
   70    71   340.000  1.090
   70    40   268.000  1.529
   70    76   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    48   214.000  1.327
   48    49   570.000  1.229
   48    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    62   335.000  1.432
   60    63   290.000  1.496
   60    66   275.000  1.510
   63    64   570.000  1.229
   63    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    44    50.00000  109.50000
   33    40    70    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    46    70.00000  124.00000
   38    42    61    65.00000  117.92700
   38    44    45    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    50    65.00000  118.96000
   42    61    57    70.00000  112.02700
   42    61    70    70.00000  112.02700
   42    61    72    70.00000  112.02700
   46    50    51    80.00000  123.72100
   46    50    56    65.00000  118.62400
   50    46    47    40.00000  117.72500
   50    56    57    63.00000  111.10000
   50    56    60    65.00000  117.18000
   50    56    62    80.00000  114.91000
   56    50    51    75.00000  121.36600
   56    57    58    45.00000  109.38400
   56    57    59    45.00000  109.38400
   56    57    61    70.00000  112.37300
   56    60    62    15.00000   60.43100
   56    60    63    65.00000  117.18000
   56    60    66    60.00000  120.94000
   56    62    60    15.00000   59.14900
   57    61    70    58.35000  112.70000
   57    61    72    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    42    46    70.00000  124.00000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    70    71    37.50000  110.70000
   61    70    40    58.35000  112.70000
   61    70    76    58.35000  112.70000
   61    72    73    37.50000  110.70000
   61    72    74    37.50000  110.70000
   61    72    75    37.50000  110.70000
   70    40    41    37.50000  110.70000
   70    40    43    50.00000  109.50000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    70    71    37.50000  110.70000
   40    43    48    83.00000  116.90000
   43    40    41    35.00000  109.50000
   43    48    49    83.00000  123.40000
   43    48    52    81.00000  111.40000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   52    48    49    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    40    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    61    70    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    56    57    60.00000  120.94000
   60    63    64    75.00000  121.36600
   60    63    65    40.00000  115.82000
   60    66    67    45.00000  109.38400
   60    66    68    45.00000  109.38400
   60    66    69    45.00000  109.38400
   62    56    57    80.00000  116.47100
   62    56    60    15.00000   60.43100
   63    60    62    80.00000  114.91000
   65    63    64    35.00000  123.00000
   66    60    62    80.00000  116.47100
   66    60    63    63.00000  111.10000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    42    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    46   0.09850  1.0 1.0
   33    38    42    46   0.15250 -1.0 2.0
   33    38    42    46  -0.50650  1.0 3.0
   33    38    42    61   0.46850  1.0 1.0
   33    38    42    61   0.08550 -1.0 2.0
   33    38    42    61   0.09800  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40    43    48  -0.25900  1.0 1.0
   33    40    43    48  -0.47000 -1.0 2.0
   33    40    43    48   0.11750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    40    70   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    70   0.56750  1.0 1.0
   38    33    40    70  -0.07550 -1.0 2.0
   38    33    40    70   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.62750  1.0 1.0
   38    33    40    43  -0.30950 -1.0 2.0
   38    33    40    43   0.27300  1.0 3.0
   38    42    46    47   7.00000 -1.0 2.0
   38    42    46    50   7.00000 -1.0 2.0
   38    42    61    57   0.46850  1.0 1.0
   38    42    61    57   0.08550 -1.0 2.0
   38    42    61    57   0.09800  1.0 3.0
   38    42   -61    70   0.46850  1.0 1.0
   38    42   -61    70   0.08550 -1.0 2.0
   38    42   -61    70   0.09800  1.0 3.0
   38    42    61    72   0.46850  1.0 1.0
   38    42    61    72   0.08550 -1.0 2.0
   38    42    61    72   0.09800  1.0 3.0
   39    38    42    46   0.00000  1.0 1.0
   39    38    42    61   0.34800  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   42    38    44    45  -0.07800  1.0 1.0
   42    38    44    45  -0.21500 -1.0 2.0
   42    38    44    45  -0.03150  1.0 3.0
   42    46    50    51   1.00000 -1.0 2.0
   42    46    50    56  -0.33500  1.0 1.0
   42    46    50    56   1.06600 -1.0 2.0
   42    46    50    56  -0.14000  1.0 3.0
   42    61    70    71   0.15000  1.0 3.0
   42    61    70    40   0.34400  1.0 1.0
   42    61    70    40   0.09450 -1.0 2.0
   42    61    70    40   0.11100  1.0 3.0
   42    61    70    76   0.34400  1.0 1.0
   42    61    70    76   0.09450 -1.0 2.0
   42    61    70    76   0.11100  1.0 3.0
   42    61    72    73   0.15000  1.0 3.0
   42    61    72    74   0.15000  1.0 3.0
   42    61    72    75   0.15000  1.0 3.0
   46    42    61    57   0.09850  1.0 1.0
   46    42    61    57   0.15250 -1.0 2.0
   46    42    61    57  -0.50650  1.0 3.0
   46    42    61    70   0.09850  1.0 1.0
   46    42    61    70   0.15250 -1.0 2.0
   46    42    61    70  -0.50650  1.0 3.0
   46    42    61    72   0.09850  1.0 1.0
   46    42    61    72   0.15250 -1.0 2.0
   46    42    61    72  -0.50650  1.0 3.0
   46    50   -56    57   0.65300  1.0 1.0
   46    50   -56    57  -0.03850 -1.0 2.0
   46    50   -56    57   0.33900  1.0 3.0
   46    50    56    60   0.65300  1.0 1.0
   46    50    56    60  -0.03850 -1.0 2.0
   46    50    56    60   0.33900  1.0 3.0
   46    50    56    62   0.65300  1.0 1.0
   46    50    56    62  -0.03850 -1.0 2.0
   46    50    56    62   0.33900  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    56   0.04550  1.0 1.0
   47    46    50    56   0.83000 -1.0 2.0
   47    46    50    56  -0.04000  1.0 3.0
   50    56    57    58  -0.11250  1.0 3.0
   50    56    57    59  -0.11250  1.0 3.0
   50    56    57    61  -0.95700  1.0 1.0
   50    56    57    61  -0.18200 -1.0 2.0
   50    56    57    61   0.29450  1.0 3.0
   50    56   -60    62  -0.09450  1.0 1.0
   50    56   -60    62  -1.12950 -1.0 2.0
   50    56   -60    62   0.54000  1.0 3.0
   50    56    60    63   0.11950  1.0 1.0
   50    56    60    63   0.20300 -1.0 2.0
   50    56    60    63  -0.70800  1.0 3.0
   50    56    60    66  -0.95700  1.0 1.0
   50    56    60    66  -0.18200 -1.0 2.0
   50    56    60    66   0.29450  1.0 3.0
   50    56   -62    60  -1.11000  1.0 1.0
   50    56   -62    60   0.50250 -1.0 2.0
   50    56   -62    60   0.47450  1.0 3.0
   51    50    56    57   0.30150 -1.0 2.0
   51    50    56    60   0.30150 -1.0 2.0
   51    50    56    62   0.30150 -1.0 2.0
   56    57   -61    42   0.34400  1.0 1.0
   56    57   -61    42   0.09450 -1.0 2.0
   56    57   -61    42   0.11100  1.0 3.0
   56    57    61    70   0.47050  1.0 1.0
   56    57    61    70   0.03900 -1.0 2.0
   56    57    61    70   0.20100  1.0 3.0
   56    57    61    72   0.47050  1.0 1.0
   56    57    61    72   0.03900 -1.0 2.0
   56    57    61    72   0.20100  1.0 3.0
   56    60    63    64   0.30150 -1.0 2.0
   56    60    63    65   0.74550  1.0 1.0
   56    60    63    65  -0.00500 -1.0 2.0
   56    60    66    67   0.15000  1.0 3.0
   56    60    66    68   0.15000  1.0 3.0
   56    60    66    69   0.15000  1.0 3.0
   57    56   -60    62   0.02550  1.0 1.0
   57    56   -60    62  -0.02600 -1.0 2.0
   57    56   -60    62   1.20400  1.0 3.0
   57    56    60    63  -0.95700  1.0 1.0
   57    56    60    63  -0.18200 -1.0 2.0
   57    56    60    63   0.29450  1.0 3.0
   57    56    60    66   0.56750  1.0 1.0
   57    56    60    66  -0.07550 -1.0 2.0
   57    56    60    66   0.20000  1.0 3.0
   57    56   -62    60   0.06250  1.0 1.0
   57    56   -62    60  -0.01100 -1.0 2.0
   57    56   -62    60   0.28050  1.0 3.0
   57    61    70    71   0.15000  1.0 3.0
   57    61    70    40   0.56750  1.0 1.0
   57    61    70    40  -0.07550 -1.0 2.0
   57    61    70    40   0.20000  1.0 3.0
   57    61    70    76   0.56750  1.0 1.0
   57    61    70    76  -0.07550 -1.0 2.0
   57    61    70    76   0.20000  1.0 3.0
   57    61    72    73   0.15000  1.0 3.0
   57    61    72    74   0.15000  1.0 3.0
   57    61    72    75   0.15000  1.0 3.0
   58    57    61    42   0.15000  1.0 3.0
   58    57    61    70   0.15000  1.0 3.0
   58    57    61    72   0.15000  1.0 3.0
   59    57    61    42   0.15000  1.0 3.0
   59    57    61    70   0.15000  1.0 3.0
   59    57    61    72   0.15000  1.0 3.0
   61    42    46    47   7.00000 -1.0 2.0
   61    42   -46    50   7.00000 -1.0 2.0
   61    70   -40    33   0.56750  1.0 1.0
   61    70   -40    33  -0.07550 -1.0 2.0
   61    70   -40    33   0.20000  1.0 3.0
   61    70    40    41   0.15000  1.0 3.0
   61    70    40    43   0.62750  1.0 1.0
   61    70    40    43  -0.30950 -1.0 2.0
   61    70    40    43   0.27300  1.0 3.0
   61    70    76    77   0.15000  1.0 3.0
   61    70    76    78   0.15000  1.0 3.0
   61    70    76    79   0.15000  1.0 3.0
   70    61    72    73   0.15000  1.0 3.0
   70    61    72    74   0.15000  1.0 3.0
   70    61    72    75   0.15000  1.0 3.0
   70    40    43    48  -0.25900  1.0 1.0
   70    40    43    48  -0.47000 -1.0 2.0
   70    40    43    48   0.11750  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    41   0.15000  1.0 3.0
   71    70    40    43   0.23400  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.34400  1.0 1.0
   40    33   -38    42   0.09450 -1.0 2.0
   40    33   -38    42   0.11100  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
   40    70    76    77   0.15000  1.0 3.0
   40    70    76    78   0.15000  1.0 3.0
   40    70    76    79   0.15000  1.0 3.0
   40    43    48    49   3.00000 -1.0 2.0
   40    43    48    52   1.63150  1.0 1.0
   40    43    48    52   2.92000 -1.0 2.0
   41    40    43    48   0.08050  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    54   0.00000  1.0 1.0
   43    48    52    55   0.00000  1.0 1.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    55   0.00000  1.0 1.0
   76    70    40    33   0.56750  1.0 1.0
   76    70    40    33  -0.07550 -1.0 2.0
   76    70    40    33   0.20000  1.0 3.0
   76    70    40    41   0.15000  1.0 3.0
   76    70    40    43   0.62750  1.0 1.0
   76    70    40    43  -0.30950 -1.0 2.0
   76    70    40    43   0.27300  1.0 3.0
   72    61    70    71   0.15000  1.0 3.0
   72    61    70    40   0.56750  1.0 1.0
   72    61    70    40  -0.07550 -1.0 2.0
   72    61    70    40   0.20000  1.0 3.0
   72    61    70    76   0.56750  1.0 1.0
   72    61    70    76  -0.07550 -1.0 2.0
   72    61    70    76   0.20000  1.0 3.0
   60    56    57    58   0.15000  1.0 3.0
   60    56    57    59   0.15000  1.0 3.0
   60    56    57    61   0.07850  1.0 1.0
   60    56    57    61  -0.03950 -1.0 2.0
   60    56    57    61   0.67350  1.0 3.0
   62    56    57    58   0.23400  1.0 3.0
   62    56    57    59   0.23400  1.0 3.0
   62    56    57    61   0.02550  1.0 1.0
   62    56    57    61  -0.02600 -1.0 2.0
   62    56    57    61   1.20400  1.0 3.0
   62    56   -60    63  -0.09450  1.0 1.0
   62    56   -60    63  -1.12950 -1.0 2.0
   62    56   -60    63   0.54000  1.0 3.0
   62    56   -60    66   0.02550  1.0 1.0
   62    56   -60    66  -0.02600 -1.0 2.0
   62    56   -60    66   1.20400  1.0 3.0
   62    60    63    64   0.30150 -1.0 2.0
   62    60    63    65   0.00000  1.0 1.0
   62    60    66    67   0.23400  1.0 3.0
   62    60    66    68   0.23400  1.0 3.0
   62    60    66    69   0.23400  1.0 3.0
   63    60   -62    56  -1.11000  1.0 1.0
   63    60   -62    56   0.50250 -1.0 2.0
   63    60   -62    56   0.47450  1.0 3.0
   63    60    66    67  -0.11250  1.0 3.0
   63    60    66    68  -0.11250  1.0 3.0
   63    60    66    69  -0.11250  1.0 3.0
   66    60   -62    56   0.06250  1.0 1.0
   66    60   -62    56  -0.01100 -1.0 2.0
   66    60   -62    56   0.28050  1.0 3.0
   66    60    63    64   0.30150 -1.0 2.0
   66    60    63    65   0.74550  1.0 1.0
   66    60    63    65  -0.00500 -1.0 2.0
   44    38    42    46   0.67800  1.0 1.0
   44    38    42    46   0.47050 -1.0 2.0
   44    38    42    46  -0.62500  1.0 3.0
   44    38    42    61   0.18000  1.0 1.0
   44    38    42    61   0.16450 -1.0 2.0
   44    38    42    61   0.04450  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    61    42    46   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   46    56    50    51  10.50000 -1.0 2.0
   43    52    48    49  10.50000 -1.0 2.0
   60    65    63    64  10.50000 -1.0 2.0
END
