* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    167    249     483
    1     0 S   NP   _N1_     1    29.88204    95.31777   -26.89631
    2     1 S   H    _HN1     2     1.03129   102.50929   -19.30715
    3     1 S   H    _H1_     3     1.02810     4.78676   168.53798
    4     1 S   H    _H2_     4     1.02775   110.54659  -133.88919
    5     1 S   CT   _CA1     5     1.50159   112.80894    99.76803
    6     5 S   HC   _HA1     6     1.09562   105.34565    67.67741
    7     5 S   CO3  _C1_     7     1.53903   112.23084   -52.74089
    8     7 S   O2Z  _O11     8     1.26355   115.25486   -51.91239
    9     7 S   O2Z  _O12     9     1.26258   114.77180   127.18603
   10     5 S   CT   _CB1    10     1.52912   107.17191  -174.42079
   11    10 S   HC   HB11    11     1.09828   109.76788   -49.64011
   12    10 S   HC   HB12    12     1.09538   109.82118    66.71313
   13    10 S   CT   _CG1    13     1.52936   113.29154  -171.19989
   14    13 S   HC   HG11    14     1.09582   110.69230   -55.57413
   15    13 S   HC   HG12    15     1.09596   110.13271    63.96958
   16    13 S   C    _CD1    16     1.51783   111.50810  -175.35978
   17    16 S   O    _OE1    17     1.22778   123.21730    -1.92071
   18    16 S   N    _N2_    18     1.38550   112.12558   177.75284
   19    18 S   H    _HN2    19     1.01571   119.20382     5.02418
   20    18 S   CT1  _CA2    20     1.46067   122.97420  -175.87071
   21    20 S   HC   _HA2    21     1.09658   109.12884     9.53793
   22    20 S   C    _C2_    22     1.53533   109.46046  -106.14805
   23    22 S   O    _O2_    23     1.23078   121.99990  -143.50359
   24    20 S   CT   _CB2    32     1.53399   111.74136   130.95649
   25    24 S   HC   HB21    33     1.09662   109.66853    68.42853
   26    24 S   HC   HB22    34     1.09592   110.46040  -174.55691
   27    22 S   N    _N3_    24     1.38424   113.82937    43.84301
   28    27 S   H    _HN3    25     1.01452   119.19658     0.54212
   29    24 S   S    _SG2    35     1.82871   115.52003   -51.42290
   30    27 S   CT   _CA3    26     1.45455   123.26252   175.35447
   31    30 S   HC   HA31    27     1.09533   109.10395    27.58001
   32    30 S   HC   HA32    28     1.09494   107.15735   144.55692
   33    29 S   CT   _C23    36     1.82774   100.57683   -58.53703
   34    33 S   HC   _H25    37     1.09435   108.20454    69.20121
   35    33 S   HC   _H26    38     1.09542   107.94386   -47.59577
   36    30 S   CO3  _C3_    29     1.52934   113.18197   -95.80955
   37    36 S   O2Z  _O31    30     1.26396   115.43229   -44.32046
   38    36 S   O2Z  _O32    31     1.26360   114.96890   136.61678
   39    33 S   CT   _C21    39     1.53726   114.51668  -168.99264
   40    39 S   HC   _H7_    40     1.09903   106.63681   174.01850
   41    39 S   CO4  _C20    41     1.52137   111.58559   -69.02835
   42    41 S   O    _O38    42     1.22389   124.47792    71.60814
   43    39 S   CT   _C22    86     1.52747   114.38056    56.49960
   44    43 S   HC   _H22    87     1.09475   112.38814   -68.63623
   45    43 S   HC   _H23    88     1.09480   110.87862    52.91766
   46    43 S   HC   _H24    89     1.09573   110.32130   172.35242
   47    41 S   OS   _O37    43     1.36638   109.95478  -109.12232
   48    47 S   CT   _C10    44     1.44959   117.45001  -179.52853
   49    48 S   HC   _H3_    45     1.09907   108.18045   -37.00963
   50    48 S   CT   _C9_    46     1.54912   108.50876    80.35966
   51    50 S   HC   _H14    47     1.09835   108.57804   -59.08928
   52    50 S   HC   _H15    48     1.09253   109.97739  -171.29708
   53    48 S   CT   _C11    60     1.55320   109.24138  -154.23739
   54    53 S   HC   _H4_    61     1.09516   109.57648   -60.40437
   55    50 S   CM   _C8_    49     1.51957   115.97089    61.41431
   56    53 S   CM   _C18    62     1.49951   114.96156    59.70322
   57    55 S   CM   _C7_    50     1.34973   126.45583    95.38603
   58    57 S   HC   _H13    51     1.09197   116.53518   178.68523
   59    56 S   CO4  _C17    63     1.47353   110.62454   126.40742
   60    59 S   O    _O36    64     1.21853   127.23149  -179.08807
   61    56 S   CM   _C19    66     1.33735   129.26227   -58.12301
   62    61 S   HC   _H20    67     1.08359   121.65841     1.26965
   63    61 S   HC   _H21    68     1.08563   121.81266  -177.75580
   64    55 S   CT   _C24    82     1.51144   114.87683   -86.97210
   65    64 S   HC   _H27    83     1.09495   110.53509   -50.89470
   66    64 S   HC   _H28    84     1.09547   112.43039  -170.38485
   67    64 S   HC   _H29    85     1.09314   110.71470    69.70449
   68    57 S   CO   _C6_    52     1.51323   131.36125    -2.48554
   69    87 S   OS   _O35    65     1.43852   108.35677   -74.14516
   70    68 S   CM   _C15    53     1.49575   109.97884  -112.45852
   71    70 S   HC   _H16    54     1.08093   124.37099   -64.28796
   72    68 S   OS   _O33    74     1.43395   110.06094   130.43588
   73    70 S   CM   _C14    55     1.33304   110.58138   115.48555
   74    72 S   CT   _C5_    75     1.42668   114.27719   -75.77104
   75    74 S   HC   _H11    76     1.09496   109.96534   -63.41289
   76    74 S   HC   _H12    77     1.09477   110.55930    57.25822
   77    73 S   CT   _C13    56     1.49180   109.33898     1.16852
   78    77 S   HC   _H6_    57     1.09709   108.86399   118.83779
   79    73 S   CT   _C16    70     1.48411   127.26702   179.13250
   80    79 S   HC   _H17    71     1.09347   110.82678   115.29966
   81    79 S   HC   _H18    72     1.09501   111.43421    -4.57740
   82    79 S   HC   _H19    73     1.09435   110.42319  -124.29363
   83    74 S   CT   _C4_    78     1.51644   108.11924   177.16634
   84    83 S   HC   _H8_    79     1.09504   110.59696   -59.39422
   85    83 S   HC   _H9_    80     1.09505   110.62498    58.88780
   86    83 S   HC   _H10    81     1.09358   110.90400   179.75772
   87    77 S   CT   _C12    58     1.53704   117.47888  -116.46671
   88    87 S   HC   _H5_    59     1.09857   107.39497   172.06175
   89    68 S   OS   _O34    69     1.43632   113.18803     3.81105
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  16
   8  14   5   4  15   7  10   9  13   5   8   3   4   1   1   4
   2   1   1  13   6  12   5  10   9   7   5   4   8   4   5   2
   1   1   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    87    53    54    56  
   49    50    51    52    55    57    77    87    88    53    54    56    59    69    61    64  
   50    51    52    55    87    53    54    56  
   51    52    55    57    58    68    87    53    54    56    64    65    66    67  
   52    55    57    53    64  
   55    57    53    64  
   54    56    59    60    69    61    62    63    89    55    73    77    78    87    88  
   56    59    69    61    77    87    88  
   57    58    68    70    89    72    64    65    66    67  
   59    60    69    61    62    63    77    87    88  
   58    68    70    71    73    77    89    72    74    64    65    66    67  
   68    70    89    72    64  
   60    69    61    62    63    77    87    88  
   69    61    87  
   62    63    69    87  
   63  
    0  
   65    66    67    68  
   66    67  
   67  
    0  
   70    71    73    77    78    87    89    79    72    74    75    76    83  
   89    73    77    78    87    88  
   71    73    77    78    87    89    79    80    81    82    72    74  
   73    77    89    79    72  
   74    75    76    83    84    85    86    73    77    89  
   77    78    87    88    89    79    80    81    82  
   75    76    83    84    85    86    89  
   76    83    84    85    86  
   83    84    85    86  
   78    87    88    89    79    80    81    82  
   87    88    89    79  
   80    81    82    87    89  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    57   549.000  1.340
   55    64   317.000  1.510
   57    58   340.000  1.080
   57    68   317.000  1.510
   68    70   317.000  1.510
   68    89   320.000  1.380
   68    72   320.000  1.380
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    77   317.000  1.510
   73    79   317.000  1.510
   77    78   340.000  1.090
   77    87   268.000  1.529
   77    89   320.000  1.410
   87    88   340.000  1.090
   87    53   268.000  1.529
   87    69   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    69   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.02700
   48    53    87    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    70.00000  124.00000
   50    55    64    65.00000  117.92700
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    57    58    35.00000  120.00000
   55    57    68    70.00000  124.00000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   57    68    70    70.00000  110.12100
   57    68    89    85.00000  110.90400
   57    68    72    85.00000  110.90400
   68    57    58    35.00000  117.00000
   68    70    71    35.00000  117.00000
   68    70    73    70.00000  124.00000
   68    89    77    60.00000  109.50000
   68    72    74    60.00000  109.50000
   70    73    77    70.00000  124.00000
   70    73    79    70.00000  124.00000
   73    70    71    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    87    70.00000  112.02700
   73    77    89    85.00000  110.90400
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    35.00000  109.50000
   77    87    88    37.50000  110.70000
   77    87    53    58.35000  112.70000
   77    87    69    50.00000  109.50000
   87    77    78    37.50000  110.70000
   87    53    54    37.50000  110.70000
   87    53    56    70.00000  112.02700
   87    69    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    87    88    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    69    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   69    87    88    35.00000  109.50000
   69    87    53    50.00000  109.50000
   69    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   89    68    70    85.00000  110.90400
   89    77    78    35.00000  109.50000
   89    77    87    50.00000  109.50000
   79    73    77    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    68    70    85.00000  110.90400
   72    68    89    92.60000  111.55000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    83    50.00000  109.50000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    86    37.50000  110.70000
   76    74    75    33.00000  107.80000
   83    74    75    37.50000  110.70000
   83    74    76    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   64    55    57    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.61850  1.0 1.0
   47    48    50    55  -0.22750 -1.0 2.0
   47    48    50    55   0.15300  1.0 3.0
   47    48    53    87   0.62750  1.0 1.0
   47    48    53    87  -0.30950 -1.0 2.0
   47    48    53    87   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.09850  1.0 1.0
   48    50    55    57   0.15250 -1.0 2.0
   48    50    55    57  -0.50650  1.0 3.0
   48    50    55    64   0.46850  1.0 1.0
   48    50    55    64   0.08550 -1.0 2.0
   48    50    55    64   0.09800  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    87   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    87   0.56750  1.0 1.0
   50    48    53    87  -0.07550 -1.0 2.0
   50    48    53    87   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   7.00000 -1.0 2.0
   50    55    57    68   7.00000 -1.0 2.0
   50    55    64    65   0.34800  1.0 3.0
   50    55    64    66   0.34800  1.0 3.0
   50    55    64    67   0.34800  1.0 3.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    64   0.34800  1.0 3.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    64   0.34800  1.0 3.0
   55    57    68    70  -0.28300  1.0 1.0
   55    57    68    70   0.26700 -1.0 2.0
   55    57    68    70  -0.63300  1.0 3.0
   55    57    68    89   0.39000  1.0 1.0
   55    57    68    89  -0.05800 -1.0 2.0
   55    57    68    89  -0.55150  1.0 3.0
   55    57    68    72   0.39000  1.0 1.0
   55    57    68    72  -0.05800 -1.0 2.0
   55    57    68    72  -0.55150  1.0 3.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    67   0.00000  1.0 1.0
   57    68    70    71   0.00000  1.0 1.0
   57    68    70    73  -0.28300  1.0 1.0
   57    68    70    73   0.26700 -1.0 2.0
   57    68    70    73  -0.63300  1.0 3.0
   57    68    89    77  -0.77900  1.0 1.0
   57    68    89    77  -0.36900 -1.0 2.0
   57    68    89    77   0.40400  1.0 3.0
   57    68    72    74  -0.77900  1.0 1.0
   57    68    72    74  -0.36900 -1.0 2.0
   57    68    72    74   0.40400  1.0 3.0
   58    57    68    70   0.00000  1.0 1.0
   58    57    68    89   0.00000  1.0 1.0
   58    57    68    72   0.00000  1.0 1.0
   68    70   -73    77   7.00000 -1.0 2.0
   68    70    73    79   7.00000 -1.0 2.0
   68    72    74    75   0.37050  1.0 3.0
   68    72    74    76   0.37050  1.0 3.0
   68    72    74    83   0.06250  1.0 1.0
   68    72    74    83  -0.01100 -1.0 2.0
   68    72    74    83   0.28050  1.0 3.0
   70    68   -89    77  -0.77900  1.0 1.0
   70    68   -89    77  -0.36900 -1.0 2.0
   70    68   -89    77   0.40400  1.0 3.0
   70    68    72    74  -0.77900  1.0 1.0
   70    68    72    74  -0.36900 -1.0 2.0
   70    68    72    74   0.40400  1.0 3.0
   70    73    77    78   0.00000  1.0 1.0
   70    73    77    87   0.09850  1.0 1.0
   70    73    77    87   0.15250 -1.0 2.0
   70    73    77    87  -0.50650  1.0 3.0
   70    73   -77    89   0.39000  1.0 1.0
   70    73   -77    89  -0.05800 -1.0 2.0
   70    73   -77    89  -0.55150  1.0 3.0
   70    73    79    80   0.00000  1.0 1.0
   70    73    79    81   0.00000  1.0 1.0
   70    73    79    82   0.00000  1.0 1.0
   71    70    73    77   7.00000 -1.0 2.0
   71    70    73    79   7.00000 -1.0 2.0
   73    77    87    88   0.15000  1.0 3.0
   73    77    87    53   0.34400  1.0 1.0
   73    77    87    53   0.09450 -1.0 2.0
   73    77    87    53   0.11100  1.0 3.0
   73    77    87    69   0.61850  1.0 1.0
   73    77    87    69  -0.22750 -1.0 2.0
   73    77    87    69   0.15300  1.0 3.0
   73    77   -89    68  -0.77900  1.0 1.0
   73    77   -89    68  -0.36900 -1.0 2.0
   73    77   -89    68   0.40400  1.0 3.0
   77    73    79    80   0.34800  1.0 3.0
   77    73    79    81   0.34800  1.0 3.0
   77    73    79    82   0.34800  1.0 3.0
   77    87    53    48   0.56750  1.0 1.0
   77    87    53    48  -0.07550 -1.0 2.0
   77    87    53    48   0.20000  1.0 3.0
   77    87    53    54   0.15000  1.0 3.0
   77    87    53    56   0.34400  1.0 1.0
   77    87    53    56   0.09450 -1.0 2.0
   77    87    53    56   0.11100  1.0 3.0
   77    87    69    59  -0.25900  1.0 1.0
   77    87    69    59  -0.47000 -1.0 2.0
   77    87    69    59   0.11750  1.0 3.0
   78    77    87    88   0.15000  1.0 3.0
   78    77    87    53   0.15000  1.0 3.0
   78    77    87    69   0.23400  1.0 3.0
   78    77    89    68   0.37050  1.0 3.0
   87    77    89    68   0.06250  1.0 1.0
   87    77    89    68  -0.01100 -1.0 2.0
   87    77    89    68   0.28050  1.0 3.0
   87    53   -56    59   0.09700  1.0 1.0
   87    53   -56    59   0.15600 -1.0 2.0
   87    53   -56    59  -0.50800  1.0 3.0
   87    53    56    61   0.09850  1.0 1.0
   87    53    56    61   0.15250 -1.0 2.0
   87    53    56    61  -0.50650  1.0 3.0
   88    87    53    48   0.15000  1.0 3.0
   88    87    53    54   0.15000  1.0 3.0
   88    87    53    56   0.15000  1.0 3.0
   88    87    69    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.34400  1.0 1.0
   53    48    50    55   0.09450 -1.0 2.0
   53    48    50    55   0.11100  1.0 3.0
   53    87   -69    59  -0.25900  1.0 1.0
   53    87   -69    59  -0.47000 -1.0 2.0
   53    87   -69    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    69  -0.15000  1.0 1.0
   53    56   -59    69   0.89550 -1.0 2.0
   53    56   -59    69  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -69    87   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    69    87   3.00000 -1.0 2.0
   69    87    53    48   0.62750  1.0 1.0
   69    87    53    48  -0.30950 -1.0 2.0
   69    87    53    48   0.27300  1.0 3.0
   69    87    53    54   0.23400  1.0 3.0
   69    87   -53    56   0.61850  1.0 1.0
   69    87   -53    56  -0.22750 -1.0 2.0
   69    87   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    69  -0.56150  1.0 1.0
   61    56    59    69   2.19150 -1.0 2.0
   89    68    70    71   0.00000  1.0 1.0
   89    68   -70    73   0.39000  1.0 1.0
   89    68   -70    73  -0.05800 -1.0 2.0
   89    68   -70    73  -0.55150  1.0 3.0
   89    68    72    74  -0.53350  1.0 1.0
   89    68    72    74  -0.78350 -1.0 2.0
   89    68    72    74   0.33750  1.0 3.0
   89    77    87    88   0.23400  1.0 3.0
   89    77    87    53   0.62750  1.0 1.0
   89    77    87    53  -0.30950 -1.0 2.0
   89    77    87    53   0.27300  1.0 3.0
   89    77    87    69   1.11900  1.0 1.0
   89    77    87    69  -1.16350 -1.0 2.0
   89    77    87    69  -0.34150  1.0 3.0
   79    73    77    78   0.34800  1.0 3.0
   79    73    77    87   0.46850  1.0 1.0
   79    73    77    87   0.08550 -1.0 2.0
   79    73    77    87   0.09800  1.0 3.0
   79    73    77    89   0.09700  1.0 1.0
   79    73    77    89   0.15600 -1.0 2.0
   79    73    77    89  -0.50800  1.0 3.0
   72    68    70    71   0.00000  1.0 1.0
   72    68    70    73   0.39000  1.0 1.0
   72    68    70    73  -0.05800 -1.0 2.0
   72    68    70    73  -0.55150  1.0 3.0
   72    68    89    77  -0.53350  1.0 1.0
   72    68    89    77  -0.78350 -1.0 2.0
   72    68    89    77   0.33750  1.0 3.0
   72    74    83    84   0.23400  1.0 3.0
   72    74    83    85   0.23400  1.0 3.0
   72    74    83    86   0.23400  1.0 3.0
   75    74    83    84   0.15000  1.0 3.0
   75    74    83    85   0.15000  1.0 3.0
   75    74    83    86   0.15000  1.0 3.0
   76    74    83    84   0.15000  1.0 3.0
   76    74    83    85   0.15000  1.0 3.0
   76    74    83    86   0.15000  1.0 3.0
   64    55    57    58   7.00000 -1.0 2.0
   64    55    57    68   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   50    64    55    57   1.10000 -1.0 2.0
   68    58    57    55   1.10000 -1.0 2.0
   68    71    70    73   1.10000 -1.0 2.0
   77    79    73    70   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    69    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
