* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    251     467
    1     0 S   NP   _N1_     1    28.47407    99.88859   -23.57883
    2     1 S   H    _HN1     2     1.02801   118.20868  -118.58479
    3     1 S   H    _H1_     3     1.02873    62.68071   -21.65687
    4     1 S   H    _H2_     4     1.02929    44.81718   154.34723
    5     1 S   CT   _CA1     5     1.50446   128.69797    74.51085
    6     5 S   HC   _HA1     6     1.09690   104.63336   110.09680
    7     5 S   CO3  _C1_     7     1.54168   110.77119    -6.22948
    8     7 S   O2Z  _O11     8     1.26023   116.53718  -105.86718
    9     7 S   O2Z  _O12     9     1.26620   113.89480    72.88775
   10     5 S   CT   _CB1    10     1.53117   107.03911  -134.08432
   11    10 S   HC   HB11    11     1.09855   109.46044   -46.07802
   12    10 S   HC   HB12    12     1.09770   110.52209    70.43228
   13    10 S   CT   _CG1    13     1.53138   112.54022  -166.66320
   14    13 S   HC   HG11    14     1.09490   110.97564   -66.31621
   15    13 S   HC   HG12    15     1.09649   109.63636    52.94743
   16    13 S   C    _CD1    16     1.51897   111.82238   173.28174
   17    16 S   O    _OE1    17     1.22799   123.09467    13.83658
   18    16 S   N    _N2_    18     1.38596   112.13300  -166.43606
   19    18 S   H    _HN2    19     1.01568   119.05932     3.12800
   20    18 S   CT1  _CA2    20     1.45969   122.48575   175.36625
   21    20 S   HC   _HA2    21     1.09721   108.93704    28.83541
   22    20 S   C    _C2_    22     1.53012   106.70130   -88.23823
   23    22 S   O    _O2_    23     1.22990   122.98846   -28.29640
   24    20 S   CT   _CB2    32     1.53341   112.46785   152.45504
   25    24 S   HC   HB21    33     1.09317   108.96089    53.27358
   26    24 S   HC   HB22    34     1.09335   109.92880   171.42078
   27    22 S   N    _N3_    24     1.38469   112.61396   154.48001
   28    27 S   H    _HN3    25     1.01661   120.40437    -1.83803
   29    24 S   S    _SG2    35     1.82924   110.76752   -67.54062
   30    27 S   CT   _CA3    26     1.45369   122.45327   178.71306
   31    30 S   HC   HA31    27     1.09566   107.76509   -57.07007
   32    30 S   HC   HA32    28     1.09565   107.64701    59.26005
   33    29 S   CT   _C18    36     1.87459   102.51001  -175.29481
   34    30 S   CO3  _C3_    29     1.52890   114.32951  -178.90389
   35    34 S   O2Z  _O31    30     1.26333   116.03029     1.13488
   36    34 S   O2Z  _O32    31     1.26436   114.41856  -178.91809
   37    33 S   CO4  _C17    37     1.52115   110.14726    62.52571
   38    37 S   O    _O35    38     1.22325   126.62859    13.46397
   39    33 S   OS1  _O36    65     1.44000   109.97058  -177.04368
   40    37 S   CO4  _C16    39     1.50070   115.69904  -170.42683
   41    40 S   O    _O42    40     1.22188   119.25804  -155.25615
   42    39 S   CO1  _C19    66     1.43248   117.96416   -69.66588
   43    42 S   HC   _H4_    67     1.09623   110.35777    34.04873
   44    40 S   CM   _C15    41     1.47075   118.08575    26.40020
   45    44 S   HC   _H15    42     1.08698   115.55177   177.10159
   46    42 S   CT   _C20    68     1.53452   107.16303   153.55203
   47    46 S   HC   _H5_    69     1.09680   110.07143    52.09567
   48    44 S   CMA  _C14    43     1.34688   123.51065     1.75591
   49    48 S   OM   _O34    44     1.26348   127.50054   172.01397
   50    46 S   CT   _C21    70     1.53119   111.17132   174.13378
   51    50 S   HC   _H6_    71     1.09666   110.25134    73.15162
   52    46 S   OH5  _O41    86     1.42967   109.95546   -64.70902
   53    52 S   HO   _H21    87     0.97225   108.25801   -57.96576
   54    33 S   CT   _C13    45     1.56767   111.08862   -58.73645
   55    54 S   HC   _H3_    46     1.09799   109.13607    51.20122
   56    50 S   CT   _C22    72     1.53225   111.27123   -49.56221
   57    56 S   HC   _H7_    73     1.09646   108.65156   -71.71408
   58    50 S   OH5  _O40    84     1.42959   109.65229  -170.94698
   59    58 S   HO   _H20    85     0.97252   108.04741    60.28295
   60    54 S   CO4  _C12    47     1.55478   108.37506   -66.49111
   61    60 S   O    _O33    48     1.23021   123.16082   -73.74415
   62    56 S   CT   _C23    74     1.53361   110.52325    49.86995
   63    62 S   HC   _H8_    75     1.09830   110.28713    64.24372
   64    56 S   OH5  _O39    82     1.42638   109.78046   171.57401
   65    64 S   HO   _H19    83     0.97233   108.21021   -57.27247
   66    60 S   CM   _C11    49     1.49462   115.96994   104.00861
   67    66 S   HC   _H14    50     1.08267   117.19722    20.08520
   68    42 S   OS1  _O37    76     1.42767   110.17056   -87.23795
   69    62 S   CT   _C24    77     1.53116   112.96685  -175.99176
   70    69 S   HC   _H16    78     1.09441   110.92861   -65.21023
   71    69 S   HC   _H17    79     1.09505   110.15416   174.02352
   72    66 S   CM   _C10    51     1.34000   119.59168  -154.86615
   73    72 S   HC   _H13    52     1.08813   119.75077    -2.22976
   74    69 S   OH5  _O38    80     1.42293   110.65627    55.08035
   75    74 S   HO   _H18    81     0.97230   107.02475   176.60846
   76    72 S   CA   _C9_    53     1.47249   124.70891   174.21355
   77    76 S   CA   _C4_    54     1.40324   123.33264    24.01196
   78    77 S   HA   _H9_    55     1.08693   121.20771     0.80697
   79    77 S   CA   _C5_    56     1.39754   120.66394  -179.21665
   80    79 S   HA   _H10    57     1.08630   119.81226   179.21865
   81    79 S   CA   _C6_    58     1.39024   119.71214    -0.38410
   82    81 S   CA   _C7_    59     1.39078   120.60640    -1.12344
   83    82 S   HA   _H11    60     1.08621   121.03716  -179.24256
   84    81 S   OH   _O43    63     1.36592   118.38295   178.49442
   85    84 S   HO   _H22    64     0.97565   108.44760  -169.87230
   86    76 S   CA   _C8_    61     1.40392   118.10881  -156.90597
   87    86 S   HA   _H12    62     1.08830   120.65843     0.20367
  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
  17   2   1   1  11   5  13   6   3  14   6   6   3  12   7   6
   3  13   7   4   1   6   3  12   7   3   1   6   3   9   6   3
   1   6   3   4   4   3   2   8   3   1   1   9   8   4   7   3
   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    54    55    60    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    48    49    54    55    60    61    66    39    42    43    46    68  
   35    36  
   36  
    0  
   38    40    41    44    45    48    54    55    60    39    42  
   40    41    44    54    39  
   42    43    46    47    50    62    68    52    40    48    54    55    60  
   41    44    45    48    49    54  
   44    45    48  
   43    46    47    50    51    56    62    63    68    69    58    52    53    54  
   46    47    50    62    68    52  
   45    48    49    54    55    60  
   48    49    54  
   47    50    51    56    57    62    68    64    58    59    52    53  
   50    51    56    68    58    52    53  
   49    54    55    60    61    66  
   54    55    60  
   51    56    57    62    63    68    69    64    65    58    59    52    53  
   56    57    62    64    58    59    52  
   53    56    58    68  
    0  
   55    60    61    66    67    72  
   60    61    66  
   57    62    63    68    69    70    71    74    64    65    58    59  
   62    63    68    69    64    65    58  
   59    62    64  
    0  
   61    66    67    72    73    76  
   66    67    72  
   63    68    69    70    71    74    75    64    65  
   68    69    70    71    74    64  
   65    68    69  
    0  
   67    72    73    76    77    86  
   72    73    76  
   69    70    71    74  
   70    71    74    75  
   71    74    75  
   74    75  
   73    76    77    78    79    82    86    87  
   76    77    86  
   75  
    0  
   77    78    79    80    81    82    83    86    87  
   78    79    80    81    82    86    87    84  
   79    80    81    86  
   80    81    82    83    86    84    85  
   81    82    84  
   82    83    86    87    84    85  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   87  
    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  -0.316400   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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    54   268.000  1.529
   33    39   335.000  1.422
   37    38   570.000  1.229
   37    40   250.000  1.523
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    45   340.000  1.080
   44    48   465.000  1.376
   48    49   745.000  1.250
   48    54   270.000  1.512
   54    55   340.000  1.090
   54    60   317.000  1.522
   60    61   570.000  1.229
   60    66   320.000  1.462
   66    67   340.000  1.080
   66    72   549.000  1.340
   72    73   340.000  1.080
   72    76   320.000  1.460
   76    77   469.000  1.400
   76    86   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   39    42   370.000  1.399
   42    43   360.000  1.097
   42    46   255.000  1.525
   42    68   370.000  1.399
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   355.000  1.421
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   355.000  1.421
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    64   355.000  1.421
   62    63   340.000  1.090
   62    68   335.000  1.422
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   355.000  1.421
   74    75   580.000  0.967
   64    65   580.000  0.967
   58    59   580.000  0.967
   52    53   580.000  0.967
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    54    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.45000
   33    54    48    70.00000  112.02700
   33    54    55    37.50000  110.70000
   33    54    60    63.00000  111.10000
   33    39    42    90.00000  112.10700
   37    40    41    80.00000  119.30300
   37    40    44    65.00000  116.00000
   40    37    38    80.00000  119.30300
   40    44    45    40.00000  117.72500
   40    44    48    60.00000  125.92000
   44    40    41    80.00000  123.72100
   44    48    49    65.00000  137.10300
   44    48    54    65.00000  122.18000
   48    44    45    40.00000  120.50800
   48    54    55    45.00000  110.52000
   48    54    60    70.00000  109.06800
   54    33    37    63.00000  111.10000
   54    48    49    85.00000  112.85300
   54    60    61    80.00000  120.40000
   54    60    66    65.00000  118.62400
   60    54    55    35.00000  109.50000
   60    66    67    40.00000  117.72500
   60    66    72    65.00000  118.96000
   66    60    61    80.00000  123.72100
   66    72    73    35.00000  120.00000
   66    72    76    60.00000  123.20500
   72    66    67    35.00000  120.00000
   72    76    77    60.00000  120.93500
   72    76    86    60.00000  120.93500
   76    72    73    40.00000  117.26300
   76    77    78    35.00000  120.00000
   76    77    79    63.00000  120.00000
   76    86    82    63.00000  120.00000
   76    86    87    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    76    77    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    81    82    70.00000  120.00000
   39    33    37    90.00000  108.74100
   39    33    54    95.00000  107.88500
   39    42    43    60.00000  105.75400
   39    42    46    90.00000  109.70700
   39    42    68   110.00000  113.16000
   42    46    47    45.00000  109.54000
   42    46    50    70.00000  111.10000
   42    46    52    90.00000  109.42000
   42    68    62    90.00000  112.10700
   46    42    43    45.00000  111.65000
   46    50    51    37.50000  110.70000
   46    50    56    58.35000  112.70000
   46    50    58    90.00000  111.45300
   46    52    53    65.00000  108.53500
   50    46    47    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    62    58.35000  112.70000
   50    56    64    90.00000  111.45300
   50    58    59    65.00000  108.53500
   56    50    51    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    68    95.00000  107.88500
   56    62    69    58.35000  112.70000
   56    64    65    65.00000  108.53500
   62    56    57    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    74    90.00000  111.45300
   68    42    43    60.00000  105.75400
   68    42    46    90.00000  109.70700
   68    62    63    55.00000  108.98800
   69    62    63    37.50000  110.70000
   69    62    68    95.00000  107.88500
   69    74    75    65.00000  108.53500
   71    69    70    33.00000  107.80000
   74    69    70    60.00000  109.39000
   74    69    71    60.00000  109.39000
   64    56    57    60.00000  109.39000
   64    56    62    90.00000  111.45300
   58    50    51    60.00000  109.39000
   58    50    56    90.00000  111.45300
   52    46    47    60.00000  109.39000
   52    46    50    90.00000  111.45300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.56750  1.0 1.0
   29    33    54    60  -0.07550 -1.0 2.0
   29    33    54    60   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.49600 -1.0 2.0
   33    37    40    44   0.43900  1.0 1.0
   33    37    40    44  -0.18150 -1.0 2.0
   33    37    40    44  -0.03650  1.0 3.0
   33    54    60    61   0.30150 -1.0 2.0
   33    54    60    66   0.65300  1.0 1.0
   33    54    60    66  -0.03850 -1.0 2.0
   33    54    60    66   0.33900  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    46   0.06250  1.0 1.0
   33    39    42    46  -0.01100 -1.0 2.0
   33    39    42    46   0.28050  1.0 3.0
   33    39    42    68  -0.12700  1.0 1.0
   33    39    42    68  -1.16200 -1.0 2.0
   33    39    42    68   0.58800  1.0 3.0
   37    33    54    48  -0.98800  1.0 1.0
   37    33    54    48   0.48800 -1.0 2.0
   37    33    54    48   0.76800  1.0 3.0
   37    33    54    55  -0.11250  1.0 3.0
   37    33    54    60   0.11950  1.0 1.0
   37    33    54    60   0.20300 -1.0 2.0
   37    33    54    60  -0.70800  1.0 3.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40    44    45   0.92800 -1.0 2.0
   37    40   -44    48   0.50400  1.0 1.0
   37    40   -44    48   1.60000 -1.0 2.0
   37    40   -44    48  -0.01800  1.0 3.0
   38    37    40    41   0.06100 -1.0 2.0
   38    37    40    44   0.03000  1.0 1.0
   38    37    40    44   0.58800 -1.0 2.0
   38    37    40    44   0.15550  1.0 3.0
   40    44    48    49   7.00000 -1.0 2.0
   40    44    48    54   7.00000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   1.00000 -1.0 2.0
   44    48   -54    33   0.09850  1.0 1.0
   44    48   -54    33   0.15250 -1.0 2.0
   44    48   -54    33  -0.50650  1.0 3.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    60  -0.51250  1.0 1.0
   44    48    54    60  -0.88800 -1.0 2.0
   44    48    54    60   0.08850  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   48    54    60    61   0.30150 -1.0 2.0
   48    54    60    66   0.65300  1.0 1.0
   48    54    60    66  -0.03850 -1.0 2.0
   48    54    60    66   0.33900  1.0 3.0
   49    48    54    33   0.09700  1.0 1.0
   49    48    54    33   0.15600 -1.0 2.0
   49    48    54    33  -0.50800  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    60   0.09700  1.0 1.0
   49    48    54    60   0.15600 -1.0 2.0
   49    48    54    60  -0.50800  1.0 3.0
   54    33    37    38   0.30150 -1.0 2.0
   54    33   -37    40   0.65300  1.0 1.0
   54    33   -37    40  -0.03850 -1.0 2.0
   54    33   -37    40   0.33900  1.0 3.0
   54    33    39    42   0.06250  1.0 1.0
   54    33    39    42  -0.01100 -1.0 2.0
   54    33    39    42   0.28050  1.0 3.0
   54    60    66    67   0.04550  1.0 1.0
   54    60    66    67   0.83000 -1.0 2.0
   54    60    66    67  -0.04000  1.0 3.0
   54    60    66    72  -0.33500  1.0 1.0
   54    60    66    72   1.06600 -1.0 2.0
   54    60    66    72  -0.14000  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    66   0.00000  1.0 1.0
   60    66    72    73   7.00000 -1.0 2.0
   60    66    72    76   7.00000 -1.0 2.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    72   1.00000 -1.0 2.0
   66    72    76    77   0.15800  1.0 1.0
   66    72    76    77   1.85350 -1.0 2.0
   66    72    76    77  -0.48700  1.0 3.0
   66    72    76    86   0.15800  1.0 1.0
   66    72    76    86   1.85350 -1.0 2.0
   66    72    76    86  -0.48700  1.0 3.0
   67    66    72    73   7.00000 -1.0 2.0
   67    66    72    76   7.00000 -1.0 2.0
   72    76    77    78   3.62500 -1.0 2.0
   72    76    77    79   3.62500 -1.0 2.0
   72    76    86    82   3.62500 -1.0 2.0
   72    76    86    87   3.62500 -1.0 2.0
   73    72    76    77   0.56550  1.0 3.0
   73    72    76    86   0.56550  1.0 3.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77    79    81   3.62500 -1.0 2.0
   77    76    86    82   3.62500 -1.0 2.0
   77    76    86    87   3.62500 -1.0 2.0
   77    79   -81    82   3.62500 -1.0 2.0
   77    79    81    84   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    86   3.62500 -1.0 2.0
   79    81    84    85   0.84100 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -86    76   3.62500 -1.0 2.0
   81    82    86    87   3.62500 -1.0 2.0
   82    81    84    85   0.84100 -1.0 2.0
   83    82    86    76   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    76    77    78   3.62500 -1.0 2.0
   86    76   -77    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    86   3.62500 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    54    48   0.61850  1.0 1.0
   39    33    54    48  -0.22750 -1.0 2.0
   39    33    54    48   0.15300  1.0 3.0
   39    33    54    55   0.23400  1.0 3.0
   39    33    54    60  -0.09450  1.0 1.0
   39    33    54    60  -1.12950 -1.0 2.0
   39    33    54    60   0.54000  1.0 3.0
   39    42    46    47   0.23400  1.0 3.0
   39    42    46    50   0.62750  1.0 1.0
   39    42    46    50  -0.30950 -1.0 2.0
   39    42    46    50   0.27300  1.0 3.0
   39    42    46    52   1.51850  1.0 1.0
   39    42    68    62  -0.70400  1.0 1.0
   39    42    68    62  -0.90350 -1.0 2.0
   42    46    50    51   0.15000  1.0 3.0
   42    46    50    56   0.56750  1.0 1.0
   42    46    50    56  -0.07550 -1.0 2.0
   42    46    50    56   0.20000  1.0 3.0
   42    46    50    58  -0.47750  1.0 1.0
   42    46    52    53   0.29150  1.0 1.0
   42    46    52    53  -0.28350 -1.0 2.0
   42    46    52    53   0.43600  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    52   0.23400  1.0 3.0
   43    42    68    62   0.37050  1.0 3.0
   46    42    68    62   0.06250  1.0 1.0
   46    42    68    62  -0.01100 -1.0 2.0
   46    42    68    62   0.28050  1.0 3.0
   46    50    56    57   0.15000  1.0 3.0
   46    50   -56    62   0.56750  1.0 1.0
   46    50   -56    62  -0.07550 -1.0 2.0
   46    50   -56    62   0.20000  1.0 3.0
   46    50    56    64  -0.47750  1.0 1.0
   46    50    58    59   0.29150  1.0 1.0
   46    50    58    59  -0.28350 -1.0 2.0
   46    50    58    59   0.43600  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    56   0.15000  1.0 3.0
   47    46    50    58   0.23400  1.0 3.0
   47    46    52    53   0.19450  1.0 3.0
   50    46    52    53   0.29150  1.0 1.0
   50    46    52    53  -0.28350 -1.0 2.0
   50    46    52    53   0.43600  1.0 3.0
   50    56    62    63   0.15000  1.0 3.0
   50    56    62    68   0.62750  1.0 1.0
   50    56    62    68  -0.30950 -1.0 2.0
   50    56    62    68   0.27300  1.0 3.0
   50    56    62    69   0.56750  1.0 1.0
   50    56    62    69  -0.07550 -1.0 2.0
   50    56    62    69   0.20000  1.0 3.0
   50    56    64    65   0.29150  1.0 1.0
   50    56    64    65  -0.28350 -1.0 2.0
   50    56    64    65   0.43600  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    62   0.15000  1.0 3.0
   51    50    56    64   0.23400  1.0 3.0
   51    50    58    59   0.19450  1.0 3.0
   56    50    58    59   0.29150  1.0 1.0
   56    50    58    59  -0.28350 -1.0 2.0
   56    50    58    59   0.43600  1.0 3.0
   56    62   -68    42   0.06250  1.0 1.0
   56    62   -68    42  -0.01100 -1.0 2.0
   56    62   -68    42   0.28050  1.0 3.0
   56    62    69    70   0.15000  1.0 3.0
   56    62    69    71   0.15000  1.0 3.0
   56    62    69    74  -0.47750  1.0 1.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    68   0.23400  1.0 3.0
   57    56    62    69   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   62    56    64    65   0.29150  1.0 1.0
   62    56    64    65  -0.28350 -1.0 2.0
   62    56    64    65   0.43600  1.0 3.0
   62    69    74    75   0.29150  1.0 1.0
   62    69    74    75  -0.28350 -1.0 2.0
   62    69    74    75   0.43600  1.0 3.0
   63    62    68    42   0.37050  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    74   0.23400  1.0 3.0
   68    42    46    47   0.23400  1.0 3.0
   68    42   -46    50   0.62750  1.0 1.0
   68    42   -46    50  -0.30950 -1.0 2.0
   68    42   -46    50   0.27300  1.0 3.0
   68    42    46    52   1.51850  1.0 1.0
   68    62    69    70   0.23400  1.0 3.0
   68    62    69    71   0.23400  1.0 3.0
   68    62    69    74   1.51850  1.0 1.0
   69    62    68    42   0.06250  1.0 1.0
   69    62    68    42  -0.01100 -1.0 2.0
   69    62    68    42   0.28050  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75   0.19450  1.0 3.0
   64    56    62    63   0.23400  1.0 3.0
   64    56    62    68   1.51850  1.0 1.0
   64    56    62    69  -0.47750  1.0 1.0
   58    50    56    57   0.23400  1.0 3.0
   58    50    56    62  -0.47750  1.0 1.0
   58    50    56    64   3.77950  1.0 1.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    56  -0.47750  1.0 1.0
   52    46    50    58   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
   40    45    44    48   1.10000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   54    66    60    61  10.50000 -1.0 2.0
   60    67    66    72  15.00000 -1.0 2.0
   76    73    72    66  15.00000 -1.0 2.0
   77    86    76    72   4.00000 -1.0 2.0
   79    78    77    76   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   82    87    86    76   1.10000 -1.0 2.0
END
