* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    161    263     485
    1     0 S   NP   _N1_     1    28.87548    93.39065   -20.12949
    2     1 S   H    _HN1     2     1.02958   100.51668    26.19925
    3     1 S   H    _H1_     3     1.02841    29.01298   132.45276
    4     1 S   H    _H2_     4     1.02779    83.85658   -81.36107
    5     1 S   CT   _CA1     5     1.50108   137.08917   162.31370
    6     5 S   HC   _HA1     6     1.09566   105.28030    44.27574
    7     5 S   CO3  _C1_     7     1.53830   112.32106   -76.08651
    8     7 S   O2Z  _O11     8     1.26373   115.01792   -43.99222
    9     7 S   O2Z  _O12     9     1.26219   114.87535   135.30694
   10     5 S   CT   _CB1    10     1.53088   107.46334   162.32692
   11    10 S   HC   HB11    11     1.09818   109.52594   -49.29762
   12    10 S   HC   HB12    12     1.09834   110.30079    67.28186
   13    10 S   CT   _CG1    13     1.53040   112.69263  -170.40911
   14    13 S   HC   HG11    14     1.09513   110.36259   -58.79493
   15    13 S   HC   HG12    15     1.09615   110.20967    60.38761
   16    13 S   C    _CD1    16     1.51778   112.02662  -179.38134
   17    16 S   O    _OE1    17     1.22745   123.09922   -13.78530
   18    16 S   N    _N2_    18     1.38615   111.80611   166.71580
   19    18 S   H    _HN2    19     1.01585   119.12538     1.90844
   20    18 S   CT1  _CA2    20     1.46283   123.28848  -176.43531
   21    20 S   HC   _HA2    21     1.09729   109.33569   -14.27443
   22    20 S   C    _C2_    22     1.53350   108.47310  -130.15411
   23    22 S   O    _O2_    23     1.23013   122.24737  -146.08722
   24    20 S   CT   _CB2    32     1.53516   111.28263   107.62425
   25    24 S   HC   HB21    33     1.09588   109.50316    56.50812
   26    24 S   HC   HB22    34     1.09485   110.63504   175.56443
   27    22 S   N    _N3_    24     1.38513   113.35190    41.30022
   28    27 S   H    _HN3    25     1.01531   118.90485    -0.56958
   29    24 S   S    _SG2    35     1.82704   111.57017   -64.21815
   30    27 S   CT   _CA3    26     1.45441   123.40254   175.16633
   31    30 S   HC   HA31    27     1.09529   109.18453    25.43840
   32    30 S   HC   HA32    28     1.09497   107.13683   142.42430
   33    29 S   CT   _C17    36     1.85143    99.87010   169.06625
   34    33 S   HC   _H3_    37     1.09462   106.17647   -20.66320
   35    30 S   CO3  _C3_    29     1.52925   113.14131   -98.00775
   36    35 S   O2Z  _O31    30     1.26408   115.41520   -44.70908
   37    35 S   O2Z  _O32    31     1.26361   114.98018   136.24228
   38    33 S   CT   _C10    38     1.53219   106.83061    93.22933
   39    38 S   HC   _H29    39     1.09680   111.27863   -48.09185
   40    38 S   HC   _H30    40     1.09551   111.13760  -166.62093
   41    38 S   CO4  _C6_    41     1.50823   111.15030    73.44582
   42    41 S   O    _O20    42     1.22910   121.99513  -147.47275
   43    41 S   CM   _C4_    43     1.48045   118.00060    36.87639
   44    43 S   HC   _H26    44     1.08499   116.15553   168.09991
   45    43 S   CM   _C5_    45     1.34405   121.59459    -6.73965
   46    45 S   CT   _C9_    46     1.51113   118.84405   170.43511
   47    46 S   HC   _H27    47     1.09743   108.43726  -102.30518
   48    46 S   HC   _H28    48     1.09733   111.09543    13.75709
   49    46 S   CT   _C13    49     1.52304   113.76631   136.36582
   50    49 S   HC   _H35    50     1.09506   107.41463   173.58283
   51    49 S   HC   _H36    51     1.09758   109.53407   -70.82346
   52    49 S   CT   _C15    52     1.54018   112.39566    51.88710
   53    52 S   HC   _H39    53     1.09512   108.15848    63.30833
   54    52 S   CT   _C16    54     1.55826   111.27836  -178.31217
   55    54 S   HC   _H40    55     1.10080   107.52026    60.43226
   56    52 S   CT   _C19    71     1.55925   108.72312   -56.42385
   57    56 S   F    _F24    72     1.37558   104.06433   -59.43869
   58    54 S   CT   _C14    56     1.52757   114.69745   -57.15138
   59    58 S   HC   _H37    57     1.09465   111.33431    57.94216
   60    58 S   HC   _H38    58     1.09549   110.86054   -60.23495
   61    33 S   CT   _C18    73     1.58709   115.96811  -140.76256
   62    58 S   CT   _C12    59     1.51890   110.17813   177.29730
   63    62 S   HC   _H33    60     1.09662   109.39383   -76.63654
   64    62 S   HC   _H34    61     1.09591   108.69317   166.09798
   65    61 S   CT   _C21    74     1.55910   107.29682   164.67567
   66    65 S   HC   _H42    75     1.09381   112.08768   -54.04546
   67    65 S   HC   _H43    76     1.09361   112.85049  -175.03750
   68    65 S   HC   _H44    77     1.09630   111.63304    65.56341
   69    62 S   CO4  _C8_    62     1.50657   115.99634    43.95919
   70    69 S   O    _O22    63     1.22877   121.25411   156.70212
   71    69 S   OS   _O23    64     1.35347   117.00161   -29.60593
   72    54 S   CT   _C20    65     1.54407   111.86362   178.61238
   73    72 S   CT   _C11    66     1.53040   108.79442   -59.70672
   74    73 S   HC   _H31    67     1.09581   111.24048   -63.57844
   75    73 S   HC   _H32    68     1.09661   110.96526   178.58916
   76    72 S   CT   _C22    78     1.54200   114.93176    63.45005
   77    76 S   HC   _H45    79     1.09454   111.89294    63.38167
   78    76 S   HC   _H46    80     1.09331   112.95732   -59.14699
   79    76 S   HC   _H47    81     1.09698   110.19497  -179.67494
   80    73 S   CO4  _C7_    69     1.51088   110.37384    56.87110
   81    80 S   O    _O21    70     1.22903   119.89448   126.50349
  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
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  17   8  21   9  13   5  11   6   5   7   6   4   3
   4   2   1   1   5   2   9   9   8   4   3   4   2   1   1   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    80    56    57    61    65    66    67    68  
   38    39    40    41    45    56    61    65  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    65  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    65  
   45    46    61  
   46    47    48    49    50    51    52    80    56    57    61    65    66    67    68  
   47    48    49    50    51    52    53    54    56    61    65  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    72    80    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    71    72    73    80    81    56    57    61    65    76  
   54    55    58    72    80    56    57    61  
   55    58    59    60    62    63    64    69    71    72    73    74    75    80    56    57    61    76    77    78    79  
   58    59    60    62    71    72    73    56    76  
   57    61    65    66    67    68    58    72    73    74    75    80    81  
   61    65    73    80    81  
   59    60    62    63    64    69    70    71    72    73    76  
   60    62    63    64    69    72  
   62    63    64    69    72  
   65    66    67    68    73    80    81  
   63    64    69    70    71    72  
   64    69    70    71  
   69    70    71  
   66    67    68    80  
   67    68  
   68  
    0  
   70    71    72    73    76  
   71    72  
   72    73    74    75    80    76    77    78    79  
   73    74    75    80    81    76    77    78    79  
   74    75    80    81    76    77    78    79  
   75    80    81    76  
   80    81    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    72   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   317.000  1.522
   69    70   570.000  1.229
   69    71   214.000  1.327
   71    72   320.000  1.410
   72    73   268.000  1.529
   72    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   317.000  1.522
   80    81   570.000  1.229
   80    56   317.000  1.522
   56    57   367.000  1.332
   56    61   268.000  1.529
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    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    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    65    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    72    58.35000  112.70000
   52    56    80    63.00000  111.10000
   52    56    57    50.00000  109.50000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    72    71    50.00000  109.50000
   54    72    73    58.35000  112.70000
   54    72    76    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    69    63.00000  111.10000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    69    70    80.00000  120.40000
   62    69    71    81.00000  111.40000
   64    62    63    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    64    35.00000  109.50000
   69    71    72    83.00000  116.90000
   71    69    70    83.00000  123.40000
   71    72    73    50.00000  109.50000
   71    72    76    50.00000  109.50000
   72    54    55    37.50000  110.70000
   72    54    58    58.35000  112.70000
   72    73    74    37.50000  110.70000
   72    73    75    37.50000  110.70000
   72    73    80    63.00000  111.10000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   73    80    81    80.00000  120.40000
   73    80    56    70.00000  116.00000
   75    73    74    33.00000  107.80000
   80    73    74    35.00000  109.50000
   80    73    75    35.00000  109.50000
   80    56    57    85.00000  109.55300
   80    56    61    63.00000  111.10000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    80    81    80.00000  120.40000
   56    61    65    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    50.00000  109.50000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   76    72    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    61    45   0.56750  1.0 1.0
   29    33    61    45  -0.07550 -1.0 2.0
   29    33    61    45   0.20000  1.0 3.0
   29    33    61    56   0.44750  1.0 1.0
   29    33    61    56  -0.17800 -1.0 2.0
   29    33    61    56   0.20200  1.0 3.0
   29    33    61    65   0.44750  1.0 1.0
   29    33    61    65  -0.17800 -1.0 2.0
   29    33    61    65   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    61    65    66   0.15000  1.0 3.0
   33    61    65    67   0.15000  1.0 3.0
   33    61    65    68   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    61    45   0.15000  1.0 3.0
   34    33    61    56   0.15000  1.0 3.0
   34    33    61    65   0.15000  1.0 3.0
   38    33    61    45   0.34400  1.0 1.0
   38    33    61    45   0.09450 -1.0 2.0
   38    33    61    45   0.11100  1.0 3.0
   38    33    61    56   0.56750  1.0 1.0
   38    33    61    56  -0.07550 -1.0 2.0
   38    33    61    56   0.20000  1.0 3.0
   38    33    61    65   0.56750  1.0 1.0
   38    33    61    65  -0.07550 -1.0 2.0
   38    33    61    65   0.20000  1.0 3.0
   38    41    43    44   0.04550  1.0 1.0
   38    41    43    44   0.83000 -1.0 2.0
   38    41    43    44  -0.04000  1.0 3.0
   38    41   -43    45  -0.33500  1.0 1.0
   38    41   -43    45   1.06600 -1.0 2.0
   38    41   -43    45  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43    45    61   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45    46    47   0.00000  1.0 1.0
   43    45    46    48   0.00000  1.0 1.0
   43    45    46    49   0.09850  1.0 1.0
   43    45    46    49   0.15250 -1.0 2.0
   43    45    46    49  -0.50650  1.0 3.0
   43    45   -61    33   0.09850  1.0 1.0
   43    45   -61    33   0.15250 -1.0 2.0
   43    45   -61    33  -0.50650  1.0 3.0
   43    45    61    56   0.09850  1.0 1.0
   43    45    61    56   0.15250 -1.0 2.0
   43    45    61    56  -0.50650  1.0 3.0
   43    45    61    65   0.09850  1.0 1.0
   43    45    61    65   0.15250 -1.0 2.0
   43    45    61    65  -0.50650  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    61   7.00000 -1.0 2.0
   45    46    49    50   0.15000  1.0 3.0
   45    46    49    51   0.15000  1.0 3.0
   45    46    49    52   0.34400  1.0 1.0
   45    46    49    52   0.09450 -1.0 2.0
   45    46    49    52   0.11100  1.0 3.0
   45    61    65    66   0.15000  1.0 3.0
   45    61    65    67   0.15000  1.0 3.0
   45    61    65    68   0.15000  1.0 3.0
   46    45    61    33   0.46850  1.0 1.0
   46    45    61    33   0.08550 -1.0 2.0
   46    45    61    33   0.09800  1.0 3.0
   46    45    61    56   0.46850  1.0 1.0
   46    45    61    56   0.08550 -1.0 2.0
   46    45    61    56   0.09800  1.0 3.0
   46    45    61    65   0.46850  1.0 1.0
   46    45    61    65   0.08550 -1.0 2.0
   46    45    61    65   0.09800  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.56750  1.0 1.0
   46    49    52    54  -0.07550 -1.0 2.0
   46    49    52    54   0.20000  1.0 3.0
   46    49   -52    56   0.56750  1.0 1.0
   46    49   -52    56  -0.07550 -1.0 2.0
   46    49   -52    56   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    54    55   0.15000  1.0 3.0
   49    52    54    58   0.56750  1.0 1.0
   49    52    54    58  -0.07550 -1.0 2.0
   49    52    54    58   0.20000  1.0 3.0
   49    52    54    72   0.56750  1.0 1.0
   49    52    54    72  -0.07550 -1.0 2.0
   49    52    54    72   0.20000  1.0 3.0
   49    52    56    80  -0.95700  1.0 1.0
   49    52    56    80  -0.18200 -1.0 2.0
   49    52    56    80   0.29450  1.0 3.0
   49    52    56    57   0.39650  1.0 1.0
   49    52    56    57  -0.18350 -1.0 2.0
   49    52    56    57   0.41450  1.0 3.0
   49    52    56    61   0.56750  1.0 1.0
   49    52    56    61  -0.07550 -1.0 2.0
   49    52    56    61   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    56   0.15000  1.0 3.0
   52    54    58    59   0.15000  1.0 3.0
   52    54    58    60   0.15000  1.0 3.0
   52    54    58    62   0.56750  1.0 1.0
   52    54    58    62  -0.07550 -1.0 2.0
   52    54    58    62   0.20000  1.0 3.0
   52    54    72    71   0.62750  1.0 1.0
   52    54    72    71  -0.30950 -1.0 2.0
   52    54    72    71   0.27300  1.0 3.0
   52    54    72    73   0.56750  1.0 1.0
   52    54    72    73  -0.07550 -1.0 2.0
   52    54    72    73   0.20000  1.0 3.0
   52    54    72    76   0.56750  1.0 1.0
   52    54    72    76  -0.07550 -1.0 2.0
   52    54    72    76   0.20000  1.0 3.0
   52    56    61    33   0.56750  1.0 1.0
   52    56    61    33  -0.07550 -1.0 2.0
   52    56    61    33   0.20000  1.0 3.0
   52    56   -61    45   0.34400  1.0 1.0
   52    56   -61    45   0.09450 -1.0 2.0
   52    56   -61    45   0.11100  1.0 3.0
   52    56    61    65   0.56750  1.0 1.0
   52    56    61    65  -0.07550 -1.0 2.0
   52    56    61    65   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    72   0.15000  1.0 3.0
   53    52    56    80  -0.11250  1.0 3.0
   53    52    56    57   0.22100  1.0 3.0
   53    52    56    61   0.15000  1.0 3.0
   54    52    56    80  -0.95700  1.0 1.0
   54    52    56    80  -0.18200 -1.0 2.0
   54    52    56    80   0.29450  1.0 3.0
   54    52    56    57   0.39650  1.0 1.0
   54    52    56    57  -0.18350 -1.0 2.0
   54    52    56    57   0.41450  1.0 3.0
   54    52    56    61   0.56750  1.0 1.0
   54    52    56    61  -0.07550 -1.0 2.0
   54    52    56    61   0.20000  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    64   0.15000  1.0 3.0
   54    58    62    69  -0.95700  1.0 1.0
   54    58    62    69  -0.18200 -1.0 2.0
   54    58    62    69   0.29450  1.0 3.0
   54    72    73    74   0.15000  1.0 3.0
   54    72    73    75   0.15000  1.0 3.0
   54    72   -73    80  -0.95700  1.0 1.0
   54    72   -73    80  -0.18200 -1.0 2.0
   54    72   -73    80   0.29450  1.0 3.0
   54    72    76    77   0.15000  1.0 3.0
   54    72    76    78   0.15000  1.0 3.0
   54    72    76    79   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    72    71   0.23400  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   55    54    72    76   0.15000  1.0 3.0
   58    54    72    71   0.62750  1.0 1.0
   58    54    72    71  -0.30950 -1.0 2.0
   58    54    72    71   0.27300  1.0 3.0
   58    54    72    73   0.56750  1.0 1.0
   58    54    72    73  -0.07550 -1.0 2.0
   58    54    72    73   0.20000  1.0 3.0
   58    54    72    76   0.56750  1.0 1.0
   58    54    72    76  -0.07550 -1.0 2.0
   58    54    72    76   0.20000  1.0 3.0
   58    62    69    70   0.30150 -1.0 2.0
   58    62   -69    71   0.36750  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    69  -0.11250  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    69  -0.11250  1.0 3.0
   62    69    71    72   1.63150  1.0 1.0
   62    69    71    72   2.92000 -1.0 2.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    71   0.00000  1.0 1.0
   64    62    69    70   0.00000  1.0 1.0
   64    62    69    71   0.00000  1.0 1.0
   69    71   -72    54  -0.25900  1.0 1.0
   69    71   -72    54  -0.47000 -1.0 2.0
   69    71   -72    54   0.11750  1.0 3.0
   69    71    72    73  -0.25900  1.0 1.0
   69    71    72    73  -0.47000 -1.0 2.0
   69    71    72    73   0.11750  1.0 3.0
   69    71    72    76  -0.25900  1.0 1.0
   69    71    72    76  -0.47000 -1.0 2.0
   69    71    72    76   0.11750  1.0 3.0
   70    69    71    72   3.00000 -1.0 2.0
   71    72    73    74   0.23400  1.0 3.0
   71    72    73    75   0.23400  1.0 3.0
   71    72    73    80  -0.09450  1.0 1.0
   71    72    73    80  -1.12950 -1.0 2.0
   71    72    73    80   0.54000  1.0 3.0
   71    72    76    77   0.23400  1.0 3.0
   71    72    76    78   0.23400  1.0 3.0
   71    72    76    79   0.23400  1.0 3.0
   72    54    58    59   0.15000  1.0 3.0
   72    54    58    60   0.15000  1.0 3.0
   72    54   -58    62   0.56750  1.0 1.0
   72    54   -58    62  -0.07550 -1.0 2.0
   72    54   -58    62   0.20000  1.0 3.0
   72    73    80    81   0.30150 -1.0 2.0
   72    73    80    56   0.60050  1.0 1.0
   72    73    80    56   0.05600 -1.0 2.0
   72    73    80    56   0.26150  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   73    80   -56    52   0.60050  1.0 1.0
   73    80   -56    52   0.05600 -1.0 2.0
   73    80   -56    52   0.26150  1.0 3.0
   73    80    56    57   0.65300  1.0 1.0
   73    80    56    57  -0.03850 -1.0 2.0
   73    80    56    57   0.33900  1.0 3.0
   73    80    56    61   0.60050  1.0 1.0
   73    80    56    61   0.05600 -1.0 2.0
   73    80    56    61   0.26150  1.0 3.0
   74    73    80    81   0.00000  1.0 1.0
   74    73    80    56   0.00000  1.0 1.0
   75    73    80    81   0.00000  1.0 1.0
   75    73    80    56   0.00000  1.0 1.0
   80    56    61    33  -0.95700  1.0 1.0
   80    56    61    33  -0.18200 -1.0 2.0
   80    56    61    33   0.29450  1.0 3.0
   80    56    61    45  -0.98800  1.0 1.0
   80    56    61    45   0.48800 -1.0 2.0
   80    56    61    45   0.76800  1.0 3.0
   80    56    61    65  -0.95700  1.0 1.0
   80    56    61    65  -0.18200 -1.0 2.0
   80    56    61    65   0.29450  1.0 3.0
   81    80    56    52   0.30150 -1.0 2.0
   81    80    56    57   0.30150 -1.0 2.0
   81    80    56    61   0.30150 -1.0 2.0
   56    52    54    55   0.15000  1.0 3.0
   56    52    54    58   0.56750  1.0 1.0
   56    52    54    58  -0.07550 -1.0 2.0
   56    52    54    58   0.20000  1.0 3.0
   56    52   -54    72   0.56750  1.0 1.0
   56    52   -54    72  -0.07550 -1.0 2.0
   56    52   -54    72   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    68   0.15000  1.0 3.0
   57    56    61    33   0.39650  1.0 1.0
   57    56    61    33  -0.18350 -1.0 2.0
   57    56    61    33   0.41450  1.0 3.0
   57    56    61    45   0.54900  1.0 1.0
   57    56    61    45  -0.20450 -1.0 2.0
   57    56    61    45   0.19250  1.0 3.0
   57    56    61    65   0.39650  1.0 1.0
   57    56    61    65  -0.18350 -1.0 2.0
   57    56    61    65   0.41450  1.0 3.0
   61    33    38    39   0.15000  1.0 3.0
   61    33    38    40   0.15000  1.0 3.0
   61    33   -38    41  -0.95700  1.0 1.0
   61    33   -38    41  -0.18200 -1.0 2.0
   61    33   -38    41   0.29450  1.0 3.0
   61    45    46    47   0.34800  1.0 3.0
   61    45    46    48   0.34800  1.0 3.0
   61    45   -46    49   0.46850  1.0 1.0
   61    45   -46    49   0.08550 -1.0 2.0
   61    45   -46    49   0.09800  1.0 3.0
   76    72    73    74   0.15000  1.0 3.0
   76    72    73    75   0.15000  1.0 3.0
   76    72    73    80  -0.95700  1.0 1.0
   76    72    73    80  -0.18200 -1.0 2.0
   76    72    73    80   0.29450  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    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   62    71    69    70  10.50000 -1.0 2.0
   73    56    80    81  10.50000 -1.0 2.0
END
