* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    162    257     474
    1     0 S   NP   _N1_     1    28.73430    96.12707   -23.97131
    2     1 S   H    _HN1     2     1.02788   107.98790   -95.41033
    3     1 S   H    _H1_     3     1.02950    74.90683     9.38092
    4     1 S   H    _H2_     4     1.02829    34.23342   169.04636
    5     1 S   CT   _CA1     5     1.50112   134.56312   113.36100
    6     5 S   HC   _HA1     6     1.09573   105.20121    89.08278
    7     5 S   CO3  _C1_     7     1.53789   112.40201   -31.17282
    8     7 S   O2Z  _O11     8     1.26374   115.01322   -44.08453
    9     7 S   O2Z  _O12     9     1.26235   114.93692   134.99645
   10     5 S   CT   _CB1    10     1.53071   107.41655  -152.94913
   11    10 S   HC   HB11    11     1.09835   109.39256   -49.68363
   12    10 S   HC   HB12    12     1.09813   110.45034    66.92211
   13    10 S   CT   _CG1    13     1.52997   112.59926  -170.64384
   14    13 S   HC   HG11    14     1.09583   110.64561   -65.21851
   15    13 S   HC   HG12    15     1.09668   109.78844    54.02226
   16    13 S   C    _CD1    16     1.51801   112.16385   174.49366
   17    16 S   O    _OE1    17     1.22743   123.25059     7.25515
   18    16 S   N    _N2_    18     1.38635   111.70341  -172.85298
   19    18 S   H    _HN2    19     1.01586   119.03936     1.58758
   20    18 S   CT1  _CA2    20     1.46227   123.41136   177.96683
   21    20 S   HC   _HA2    21     1.09742   109.25878     4.47247
   22    20 S   C    _C2_    22     1.53595   109.05111  -111.05252
   23    22 S   O    _O2_    23     1.23074   122.22318  -150.83990
   24    20 S   CT   _CB2    32     1.53324   111.45047   126.30682
   25    24 S   HC   HB21    33     1.09489   109.89993    56.86132
   26    24 S   HC   HB22    34     1.09508   110.23612   175.93500
   27    22 S   N    _N3_    24     1.38320   113.85133    36.76646
   28    27 S   H    _HN3    25     1.01564   119.56250    -3.56046
   29    24 S   S    _SG2    35     1.82825   111.28810   -64.41991
   30    27 S   CT   _CA3    26     1.45274   123.22707   177.05051
   31    30 S   HC   HA31    27     1.09549   107.53666   -64.09274
   32    30 S   HC   HA32    28     1.09557   107.95977    52.34502
   33    29 S   CT   _C17    36     1.88389    99.40630  -179.16467
   34    33 S   HC   _H6_    37     1.09866   104.81510    42.53228
   35    30 S   CO3  _C3_    29     1.52957   114.07919   174.33535
   36    35 S   O2Z  _O31    30     1.26377   116.07856    -0.12667
   37    35 S   O2Z  _O32    31     1.26429   114.41171   179.92338
   38    33 S   CT   _C16    38     1.58434   106.05087   -75.89095
   39    38 S   OM   _O36    39     1.32781   107.42808   124.63193
   40    38 S   HC   _H5_    40     1.10113   108.11954    -1.71692
   41    38 S   CT   _C15    41     1.55987   114.01352  -115.99396
   42    41 S   HC   _H4_    42     1.09487   112.26391   -79.70268
   43    41 S   CT   _C14    43     1.52962   110.95618    43.52160
   44    43 S   HC   _H15    44     1.09637   110.44549  -178.17554
   45    43 S   HC   _H16    45     1.09988   107.47938    69.15473
   46    41 S   OS   _O37    78     1.44496   107.73510   161.61191
   47    43 S   CT   _C13    46     1.52773   115.15839   -51.03450
   48    47 S   HC   _H3_    47     1.09901   107.09913   135.82210
   49    46 S   CT   _C18    79     1.42098   113.44294   154.78186
   50    49 S   HC   _H17    80     1.09340   108.17940  -179.66957
   51    49 S   HC   _H18    81     1.09298   111.19567    61.44900
   52    49 S   HC   _H19    82     1.09419   110.45518   -61.19881
   53    33 S   CT   _C12    48     1.56673   109.72699   158.16818
   54    47 S   NP   _N4_    59     1.51276   111.02822  -108.23905
   55    54 S   H    _H7_    60     1.02877   111.59092   -37.97047
   56    53 S   CA   _C7_    49     1.56187   116.82074   -49.49218
   57    54 S   CT   _C20    61     1.51476   105.39243    81.37419
   58    57 S   HC   _H22    62     1.09488   107.28013   -86.02438
   59    57 S   HC   _H23    63     1.09416   108.84001   155.89020
   60    56 S   CA   _C8_    50     1.40124   122.06936   -29.27456
   61    60 S   HA   _H12    51     1.08411   122.21749     1.33251
   62    53 S   CT   _C21    64     1.57247   116.83061  -169.64537
   63    62 S   HC   _H8_    65     1.09777   111.42077   104.33589
   64    60 S   CA   _C9_    52     1.38018   118.31941  -178.22172
   65    62 S   OH   _O38    66     1.41198   115.14448   -14.70129
   66    65 S   HO   _H24    67     0.97208   108.39857   179.41183
   67    64 S   CA   _C10    53     1.37952   122.74074     1.48015
   68    67 S   CA   _C5_    54     1.38455   121.33872     0.91749
   69    67 S   OS   _O34    73     1.36298   111.00670   179.91377
   70    56 S   CA   _C6_    55     1.43431   118.69509   156.56189
   71    68 S   OS   _O33    68     1.36658   127.26328   178.75447
   72    69 S   CO   _C11    74     1.43823   102.03765     0.22900
   73    72 S   HC   _H13    75     1.09595   108.70359  -121.57705
   74    72 S   HC   _H14    76     1.09605   108.73721   120.27605
   75    70 S   CT   _C19    56     1.51933   119.43121    -0.51052
   76    75 S   HC   _H20    57     1.09532   111.42027   125.84656
   77    75 S   HC   _H21    58     1.09619   109.65626  -113.33672
   78    71 S   CT   _C4_    69     1.42046   118.35965     2.66300
   79    78 S   HC   _H9_    70     1.09448   107.61888   178.22326
   80    78 S   HC   _H10    71     1.09461   111.27325    60.81982
   81    78 S   HC   _H11    72     1.09447   111.13574   -64.46394
   82    64 S   OS   _O35    77     1.36303   124.37372  -178.96542
  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
  19   8   2   1   1  13   6   5  13   6  13   6   5   5  16   7
   3   2   1   1  16  13   8  15  10   5   4  10   4   5   2   9
   1   1  10  12   6   5   5   3   2   1   2   1   1   3   2   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    53    56    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    53    56    60    70    54    57    62    63    65    46  
   38    39    40    41    47    53    56    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    53    56    62    46    49  
   40    41    42    43    53    46  
   41    42    43    53    46  
   42    43    44    45    47    48    53    54    46    49    50    51    52  
   43    44    45    47    46    49  
   44    45    47    48    53    56    75    54    55    57    62    46    49  
   45    47    48    53    54    46  
   47    48    53    54    46  
   49    50    51    52    47  
   48    53    56    60    70    75    76    77    54    55    57    58    59    62    63    65  
   53    56    75    54    55    57    62  
   50    51    52  
   51    52  
   52  
    0  
   56    60    61    64    68    70    75    54    55    57    58    59    62    63    65    66  
   55    57    58    59    62    63    65    56    68    70    75    76    77  
   57    58    59    62    70    75    76    77  
   60    61    64    67    68    70    75    76    77    57    62    63    65    71    82  
   58    59    62    63    65    66    70    75    76    77  
   59    62    63    65    75  
   62    63    65    75  
   61    64    67    68    70    75    62    69    72    82  
   64    67    70    82  
   63    65    66    70    75  
   65    66  
   67    68    70    71    69    72    73    74    82  
   66  
    0  
   68    70    75    71    78    69    72    73    74    82  
   70    75    76    77    71    78    79    80    81    69    72    82  
   72    73    74    82    70    71  
   75    76    77    71    78  
   78    79    80    81    75  
   73    74    82  
   74    82  
   82  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
    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   1.6450   1.4500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   55   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.285000   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    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    53   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    54   367.000  1.471
   53    56   317.000  1.510
   53    62   268.000  1.529
   56    60   469.000  1.400
   56    70   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    82   450.000  1.364
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    71   450.000  1.364
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    54   367.000  1.471
   54    55   434.000  1.010
   54    57   367.000  1.471
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    65   320.000  1.410
   65    66   553.000  0.945
   71    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    82   320.000  1.380
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    53    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    47    58.35000  112.70000
   33    53    56    70.00000  112.17500
   33    53    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    49    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    53    58.35000  112.70000
   43    47    54    80.00000  111.20000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    53    56    70.00000  112.17500
   47    53    62    58.35000  112.70000
   47    54    75    75.00000  113.01200
   47    54    55    35.00000  109.50000
   47    54    57    75.00000  113.01200
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    56    60    70.00000  120.00000
   53    56    70    70.00000  120.00000
   53    62    57    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    65    50.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    64    63.00000  120.00000
   56    70    68    63.00000  120.00000
   56    70    75    70.00000  120.00000
   60    64    67    63.00000  120.00000
   60    64    82    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    69    70.00000  120.00000
   64    82    72   100.00000  112.36700
   67    68    70    63.00000  120.00000
   67    68    71    70.00000  120.00000
   67    69    72   100.00000  112.36700
   68    70    75    70.00000  120.00000
   68    71    78    75.00000  111.00000
   70    56    60    63.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    54    75.00000  110.83300
   75    54    55    35.00000  109.50000
   75    54    57    75.00000  113.01200
   77    75    76    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    53    80.00000  111.20000
   54    75    76    35.00000  109.50000
   54    75    77    35.00000  109.50000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    80.00000  111.20000
   57    54    55    35.00000  109.50000
   57    62    63    37.50000  110.70000
   57    62    65    50.00000  109.50000
   59    57    58    33.00000  107.80000
   62    53    56    70.00000  112.17500
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    55.00000  108.50000
   65    62    63    35.00000  109.50000
   71    68    70    70.00000  120.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   69    67    68    70.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    82    92.60000  111.55000
   74    72    73    33.00000  109.50000
   82    64    67    70.00000  120.00000
   82    72    73    35.00000  109.50000
   82    72    74    35.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   29    33    53    62   0.44750  1.0 1.0
   29    33    53    62  -0.17800 -1.0 2.0
   29    33    53    62   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    53    56    60   0.04150 -1.0 2.0
   33    53    56    70   0.04150 -1.0 2.0
   33    53    62    57   0.56750  1.0 1.0
   33    53    62    57  -0.07550 -1.0 2.0
   33    53    62    57   0.20000  1.0 3.0
   33    53    62    63   0.15000  1.0 3.0
   33    53    62    65   0.86500  1.0 1.0
   33    53    62    65  -0.17500 -1.0 2.0
   33    53    62    65   0.20800  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    56   0.43200  1.0 3.0
   34    33    53    62   0.15000  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    56  -0.03700  1.0 1.0
   38    33    53    56   0.37200 -1.0 2.0
   38    33    53    56  -0.47300  1.0 3.0
   38    33    53    62   0.56750  1.0 1.0
   38    33    53    62  -0.07550 -1.0 2.0
   38    33    53    62   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    46    49   0.06250  1.0 1.0
   38    41    46    49  -0.01100 -1.0 2.0
   38    41    46    49   0.28050  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53   0.56750  1.0 1.0
   41    43    47    53  -0.07550 -1.0 2.0
   41    43    47    53   0.20000  1.0 3.0
   41    43    47    54   1.36600  1.0 1.0
   41    43    47    54  -0.11450 -1.0 2.0
   41    43    47    54   0.24250  1.0 3.0
   41    46    49    50   0.37050  1.0 3.0
   41    46    49    51   0.37050  1.0 3.0
   41    46    49    52   0.37050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.37050  1.0 3.0
   43    41    46    49   0.06250  1.0 1.0
   43    41    46    49  -0.01100 -1.0 2.0
   43    41    46    49   0.28050  1.0 3.0
   43    47   -53    33   0.56750  1.0 1.0
   43    47   -53    33  -0.07550 -1.0 2.0
   43    47   -53    33   0.20000  1.0 3.0
   43    47    53    56  -0.03700  1.0 1.0
   43    47    53    56   0.37200 -1.0 2.0
   43    47    53    56  -0.47300  1.0 3.0
   43    47    53    62   0.56750  1.0 1.0
   43    47    53    62  -0.07550 -1.0 2.0
   43    47    53    62   0.20000  1.0 3.0
   43    47    54    75   0.47100  1.0 1.0
   43    47    54    55   0.17350  1.0 3.0
   43    47    54    57   0.47100  1.0 1.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.19200  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    53   0.15000  1.0 3.0
   45    43    47    54   0.19200  1.0 3.0
   47    53    56    60   0.04150 -1.0 2.0
   47    53    56    70   0.04150 -1.0 2.0
   47    53   -62    57   0.56750  1.0 1.0
   47    53   -62    57  -0.07550 -1.0 2.0
   47    53   -62    57   0.20000  1.0 3.0
   47    53    62    63   0.15000  1.0 3.0
   47    53    62    65   0.86500  1.0 1.0
   47    53    62    65  -0.17500 -1.0 2.0
   47    53    62    65   0.20800  1.0 3.0
   47    54    57    58   0.15000  1.0 3.0
   47    54    57    59   0.15000  1.0 3.0
   47    54   -57    62   0.47100  1.0 1.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    56   0.43200  1.0 3.0
   48    47    53    62   0.15000  1.0 3.0
   48    47    54    75   0.15000  1.0 3.0
   48    47    54    55   0.13050  1.0 3.0
   48    47    54    57   0.15000  1.0 3.0
   53    33    38    39   0.62750  1.0 1.0
   53    33    38    39  -0.30950 -1.0 2.0
   53    33    38    39   0.27300  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    47    54    75   0.47100  1.0 1.0
   53    47    54    55   0.17350  1.0 3.0
   53    47   -54    57   0.47100  1.0 1.0
   53    56    60    61   3.62500 -1.0 2.0
   53    56    60    64   3.62500 -1.0 2.0
   53    56    70    68   3.62500 -1.0 2.0
   53    56   -70    75   3.62500 -1.0 2.0
   53    62    65    66  -0.11600  1.0 1.0
   53    62    65    66  -0.09450 -1.0 2.0
   53    62    65    66   0.21250  1.0 3.0
   56    53    62    57  -0.03700  1.0 1.0
   56    53    62    57   0.37200 -1.0 2.0
   56    53    62    57  -0.47300  1.0 3.0
   56    53    62    63   0.43200  1.0 3.0
   56    53    62    65   1.13150  1.0 1.0
   56    53    62    65  -1.01400 -1.0 2.0
   56    60    64    67   3.62500 -1.0 2.0
   56    60    64    82   3.62500 -1.0 2.0
   56    70    75    76   0.00000  1.0 1.0
   56    70    75    77   0.00000  1.0 1.0
   56    70    75    54  -0.46400 -1.0 2.0
   60    56    70    68   3.62500 -1.0 2.0
   60    56    70    75   3.62500 -1.0 2.0
   60    64   -67    68   3.62500 -1.0 2.0
   60    64    67    69   3.62500 -1.0 2.0
   60    64    82    72   1.63200 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    82   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    68    71   3.62500 -1.0 2.0
   64    67   -69    72   1.63200 -1.0 2.0
   67    64   -82    72   1.63200 -1.0 2.0
   67    68   -70    56   3.62500 -1.0 2.0
   67    68    70    75   3.62500 -1.0 2.0
   67    68    71    78   1.63200 -1.0 2.0
   67    69    72    73   0.08050  1.0 3.0
   67    69    72    74   0.08050  1.0 3.0
   67    69   -72    82  -0.25600  1.0 1.0
   67    69   -72    82  -0.40050 -1.0 2.0
   67    69   -72    82   0.34700  1.0 3.0
   68    67    69    72   1.63200 -1.0 2.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    54  -0.46400 -1.0 2.0
   68    71    78    79   0.08050  1.0 3.0
   68    71    78    80   0.08050  1.0 3.0
   68    71    78    81   0.08050  1.0 3.0
   70    56    60    61   3.62500 -1.0 2.0
   70    56   -60    64   3.62500 -1.0 2.0
   70    68    71    78   1.63200 -1.0 2.0
   70    75   -54    47   0.03550  1.0 1.0
   70    75   -54    47   0.09800 -1.0 2.0
   70    75    54    55   0.17350  1.0 3.0
   70    75    54    57   0.03550  1.0 1.0
   70    75    54    57   0.09800 -1.0 2.0
   75    54    57    58   0.15000  1.0 3.0
   75    54    57    59   0.15000  1.0 3.0
   75    54    57    62   0.47100  1.0 1.0
   76    75    54    47   0.15000  1.0 3.0
   76    75    54    55   0.13050  1.0 3.0
   76    75    54    57   0.15000  1.0 3.0
   77    75    54    47   0.15000  1.0 3.0
   77    75    54    55   0.13050  1.0 3.0
   77    75    54    57   0.15000  1.0 3.0
   54    47    53    33   1.36600  1.0 1.0
   54    47    53    33  -0.11450 -1.0 2.0
   54    47    53    33   0.24250  1.0 3.0
   54    47   -53    56   1.24050  1.0 1.0
   54    47   -53    56   0.48100 -1.0 2.0
   54    47   -53    56   1.08150  1.0 3.0
   54    47   -53    62   1.36600  1.0 1.0
   54    47   -53    62  -0.11450 -1.0 2.0
   54    47   -53    62   0.24250  1.0 3.0
   54    57   -62    53   1.36600  1.0 1.0
   54    57   -62    53  -0.11450 -1.0 2.0
   54    57   -62    53   0.24250  1.0 3.0
   54    57    62    63   0.19200  1.0 3.0
   54    57    62    65   1.69300  1.0 1.0
   54    57    62    65  -0.48450 -1.0 2.0
   55    54    57    58   0.13050  1.0 3.0
   55    54    57    59   0.13050  1.0 3.0
   55    54    57    62   0.17350  1.0 3.0
   57    62    65    66  -0.11600  1.0 1.0
   57    62    65    66  -0.09450 -1.0 2.0
   57    62    65    66   0.21250  1.0 3.0
   58    57    62    53   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    65   0.23400  1.0 3.0
   59    57    62    53   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    65   0.23400  1.0 3.0
   62    53    56    60   0.04150 -1.0 2.0
   62    53    56    70   0.04150 -1.0 2.0
   63    62    65    66   0.19450  1.0 3.0
   71    68    70    56   3.62500 -1.0 2.0
   71    68    70    75   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    72   -82    64  -0.25600  1.0 1.0
   69    72   -82    64  -0.40050 -1.0 2.0
   69    72   -82    64   0.34700  1.0 3.0
   73    72    82    64   0.08050  1.0 3.0
   74    72    82    64   0.08050  1.0 3.0
   82    64    67    68   3.62500 -1.0 2.0
   82    64   -67    69   3.62500 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  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
   36    30    35    37  10.50000 -1.0 2.0
   60    70    56    53   4.00000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   67    82    64    60   4.00000 -1.0 2.0
   68    69    67    64   4.00000 -1.0 2.0
   70    71    68    67   4.00000 -1.0 2.0
   68    75    70    56   4.00000 -1.0 2.0
END
