* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    251     467
    1     0 S   NP   _N1_     1    28.86979    96.14212   -22.05326
    2     1 S   H    _HN1     2     1.02952    77.66053    24.57014
    3     1 S   H    _H1_     3     1.02833    40.19965   161.06225
    4     1 S   H    _H2_     4     1.02784    92.37085   -83.67488
    5     1 S   CT   _CA1     5     1.50062   148.65822   133.73526
    6     5 S   HC   _HA1     6     1.09574   105.26902    77.73050
    7     5 S   CO3  _C1_     7     1.53719   112.39581   -42.59699
    8     7 S   O2Z  _O11     8     1.26360   115.04875   -46.26496
    9     7 S   O2Z  _O12     9     1.26223   114.92120   133.08439
   10     5 S   CT   _CB1    10     1.53071   107.46522  -164.32451
   11    10 S   HC   HB11    11     1.09827   109.35257   -51.16694
   12    10 S   HC   HB12    12     1.09817   110.46799    65.41108
   13    10 S   CT   _CG1    13     1.52978   112.57401  -172.22322
   14    13 S   HC   HG11    14     1.09601   110.55256   -64.08755
   15    13 S   HC   HG12    15     1.09662   109.90869    55.15259
   16    13 S   C    _CD1    16     1.51765   112.26966   175.55992
   17    16 S   O    _OE1    17     1.22716   123.32048     1.52918
   18    16 S   N    _N2_    18     1.38603   111.57717  -178.47376
   19    18 S   H    _HN2    19     1.01599   118.97983     1.87618
   20    18 S   CT1  _CA2    20     1.46238   123.43603   178.74135
   21    20 S   HC   _HA2    21     1.09733   109.42880    -2.12394
   22    20 S   C    _C2_    22     1.53484   108.59792  -117.63549
   23    22 S   O    _O2_    23     1.23039   122.33980  -149.00850
   24    20 S   CT   _CB2    32     1.53367   111.22257   119.92413
   25    24 S   HC   HB21    33     1.09424   109.40637    55.53537
   26    24 S   HC   HB22    34     1.09463   110.18552   174.37364
   27    22 S   N    _N3_    24     1.38350   113.62261    38.55352
   28    27 S   H    _HN3    25     1.01608   119.54445    -3.57150
   29    24 S   S    _SG2    35     1.83163   111.02943   -66.41451
   30    27 S   CT   _CA3    26     1.45287   123.16254   177.01640
   31    30 S   HC   HA31    27     1.09550   107.52698   -64.04658
   32    30 S   HC   HA32    28     1.09558   107.95753    52.37703
   33    29 S   CT   _C13    36     1.86365   101.65851   160.06787
   34    30 S   CO3  _C3_    29     1.52943   114.10648   174.36424
   35    34 S   O2Z  _O31    30     1.26373   116.05980    -0.55497
   36    34 S   O2Z  _O32    31     1.26429   114.41462   179.50071
   37    33 S   CO4  _C18    37     1.52989   107.16236    59.06212
   38    37 S   O    _O35    38     1.23200   123.03807   -85.79312
   39    33 S   CO4  _C12    70     1.54736   107.79599   -63.77854
   40    39 S   O    _O33    71     1.23133   122.34663   113.35636
   41    37 S   CM   _C17    39     1.48618   119.38668    91.60667
   42    41 S   HC   _H15    40     1.08860   114.29709  -177.39030
   43    39 S   CM   _C11    72     1.49923   118.20187   -67.63400
   44    43 S   HC   _H14    73     1.08304   118.06866    18.32330
   45    41 S   CMA  _C16    41     1.34381   126.29718     1.01414
   46    45 S   OM   _O36    42     1.26130   129.61970  -177.65181
   47    43 S   CM   _C10    74     1.34067   119.50113  -157.62503
   48    47 S   HC   _H13    75     1.08795   120.16647    -1.09361
   49    45 S   CO4  _C15    43     1.51068   114.54921     1.89579
   50    49 S   O    _O34    44     1.23328   121.76224  -157.65650
   51    47 S   CA   _C9_    76     1.47167   124.42652   175.86800
   52    33 S   CT   _C14    45     1.54128   109.41049   177.28142
   53    52 S   HC   _H3_    46     1.09778   110.47620    51.48292
   54    51 S   CA   _C4_    77     1.40261   122.95395    31.01714
   55    54 S   HA   _H9_    78     1.08727   121.23655    -0.09891
   56    52 S   OS1  _O37    47     1.43110   108.37703   172.01719
   57    54 S   CA   _C5_    79     1.39736   120.56083   179.32420
   58    57 S   HA   _H10    80     1.08659   119.74980   179.88636
   59    56 S   CO1  _C19    48     1.43390   114.14045  -149.06972
   60    59 S   HC   _H4_    49     1.09823   108.68923    49.26798
   61    57 S   CA   _C6_    81     1.39068   119.80041    -0.55178
   62    59 S   CT   _C20    50     1.53399   107.02579   167.80854
   63    62 S   HC   _H5_    51     1.09680   109.97804    52.20385
   64    61 S   CA   _C7_    82     1.39117   120.62510    -0.22900
   65    64 S   HA   _H11    83     1.08598   121.01815  -179.64723
   66    61 S   OH   _O43    86     1.36586   118.27208   180.00000
   67    66 S   HO   _H22    87     0.97223   108.61300   179.20821
   68    62 S   CT   _C21    52     1.53050   111.34597   174.28588
   69    68 S   HC   _H6_    53     1.09672   110.24687    73.92418
   70    62 S   OH5  _O42    68     1.43010   109.87441   -64.45569
   71    70 S   HO   _H21    69     0.97233   108.16095   -61.01987
   72    51 S   CA   _C8_    84     1.40439   118.35215  -150.92803
   73    72 S   HA   _H12    85     1.08830   120.56213     1.03439
   74    68 S   CT   _C22    54     1.53155   111.34949   -48.74556
   75    74 S   HC   _H7_    55     1.09701   109.12354   -71.22105
   76    68 S   OH5  _O41    66     1.42950   109.61701  -170.22026
   77    76 S   HO   _H20    67     0.97248   108.09294    60.77807
   78    74 S   CT   _C23    56     1.53204   110.53980    50.05525
   79    78 S   HC   _H8_    57     1.09837   110.90576    63.80584
   80    74 S   OH5  _O40    64     1.42610   109.61924   171.89247
   81    80 S   HO   _H19    65     0.97252   108.19819   -58.57907
   82    59 S   OS1  _O38    58     1.42530   111.05384   -72.10653
   83    78 S   CT   _C24    59     1.52971   111.60593  -175.26211
   84    83 S   HC   _H16    60     1.09512   110.96515    71.42202
   85    83 S   HC   _H17    61     1.09381   111.71246   -51.08440
   86    83 S   OH5  _O39    62     1.42481   108.95111  -169.87488
   87    86 S   HO   _H18    63     0.97226   107.09673  -173.38589
  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  11   5   4   3
  16   2   1   1  12   5  11   4   6   3   7   3   6   3   8   3
   5   3   9   6   2   8   4   8   7   3  13   6   6  12   7   5
   3   2   1  13   7   4   1   1   1  12   7   3   1   9   6   3
   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    52    53    56    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    49    50    52    53    56    59    39    40    43    44    47  
   35    36  
   36  
    0  
   38    41    42    45    46    49    52    53    56    39    40    43  
   41    42    45    52    39  
   40    43    44    47    48    51    41    49    52    53    56  
   43    44    47    52  
   42    45    46    49    50    52  
   45    46    49  
   44    47    48    51    54    72    52  
   47    48    51  
   46    49    50    52    53    56  
   49    50    52  
   48    51    54    55    57    64    72    73  
   51    54    72  
   50    52    53    56    59  
   52    53    56  
   54    55    57    58    61    64    65    72    73  
   53    56    59    60    62    82  
   56    59  
   55    57    58    61    64    72    73    66  
   57    58    61    72  
   59    60    62    63    68    78    82    70  
   58    61    64    65    72    66    67  
   61    64    66  
   60    62    63    68    69    74    78    79    82    83    76    70    71  
   62    63    68    78    82    70  
   64    65    72    73    66    67  
   63    68    69    74    75    78    82    80    76    77    70    71  
   68    69    74    82    76    70    71  
   65    72    73    66    67  
   72    73    66  
   67    72  
    0  
   69    74    75    78    79    82    83    80    81    76    77    70    71  
   74    75    78    80    76    77    70  
   71    74    76    82  
    0  
   73  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   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  -0.335000   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   0.167500   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    52   268.000  1.529
   33    39   317.000  1.522
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   340.000  1.080
   41    45   465.000  1.376
   45    46   745.000  1.250
   45    49   270.000  1.476
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    53   340.000  1.090
   52    56   335.000  1.422
   56    59   370.000  1.399
   59    60   360.000  1.097
   59    62   255.000  1.525
   59    82   370.000  1.399
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   70    71   580.000  0.967
   39    40   570.000  1.229
   39    43   320.000  1.462
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    48   340.000  1.080
   47    51   320.000  1.460
   51    54   469.000  1.400
   51    72   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    64   469.000  1.400
   61    66   450.000  1.364
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    73   367.000  1.080
   66    67   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    52    75.00000  111.63000
   29    33    39    75.00000  110.18000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    52    49    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    56    95.00000  107.88500
   33    39    40    80.00000  120.40000
   33    39    43    65.00000  118.62400
   37    41    42    40.00000  117.72500
   37    41    45    60.00000  125.92000
   41    37    38    80.00000  123.72100
   41    45    46    65.00000  137.10300
   41    45    49    65.00000  114.61000
   45    41    42    40.00000  120.50800
   45    49    50    80.00000  120.81000
   45    49    52    65.00000  118.62400
   49    45    46    85.00000  116.28000
   49    52    53    35.00000  109.50000
   49    52    56    90.00000  108.74100
   52    33    37    63.00000  111.10000
   52    49    50    80.00000  120.40000
   52    56    59    90.00000  112.10700
   56    52    53    55.00000  108.98800
   56    59    60    60.00000  105.75400
   56    59    62    90.00000  109.70700
   56    59    82   110.00000  113.16000
   59    62    63    45.00000  109.54000
   59    62    68    70.00000  111.10000
   59    62    70    90.00000  109.42000
   59    82    78    90.00000  112.10700
   62    59    60    45.00000  111.65000
   62    68    69    37.50000  110.70000
   62    68    74    58.35000  112.70000
   62    68    76    90.00000  111.45300
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    78    58.35000  112.70000
   68    74    80    90.00000  111.45300
   68    76    77    65.00000  108.53500
   74    68    69    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    59    60    60.00000  105.75400
   82    59    62    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    68    69    60.00000  109.39000
   76    68    74    90.00000  111.45300
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   39    33    37    75.00000  107.99600
   39    33    52    63.00000  111.10000
   39    43    44    40.00000  117.72500
   39    43    47    65.00000  118.96000
   43    39    40    80.00000  123.72100
   43    47    48    35.00000  120.00000
   43    47    51    60.00000  123.20500
   47    43    44    35.00000  120.00000
   47    51    54    60.00000  120.93500
   47    51    72    60.00000  120.93500
   51    47    48    40.00000  117.26300
   51    54    55    35.00000  120.00000
   51    54    57    63.00000  120.00000
   51    72    64    63.00000  120.00000
   51    72    73    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    64    63.00000  120.00000
   57    61    66    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    72    63.00000  120.00000
   61    66    67    35.00000  113.00000
   64    72    73    35.00000  120.00000
   72    51    54    63.00000  120.00000
   72    64    65    35.00000  120.00000
   66    61    64    70.00000  120.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    43   0.65300  1.0 1.0
   29    33    39    43  -0.03850 -1.0 2.0
   29    33    39    43   0.33900  1.0 3.0
   33    37    41    42   0.04550  1.0 1.0
   33    37    41    42   0.83000 -1.0 2.0
   33    37    41    42  -0.04000  1.0 3.0
   33    37    41    45  -0.33500  1.0 1.0
   33    37    41    45   1.06600 -1.0 2.0
   33    37    41    45  -0.14000  1.0 3.0
   33    52    56    59   0.06250  1.0 1.0
   33    52    56    59  -0.01100 -1.0 2.0
   33    52    56    59   0.28050  1.0 3.0
   33    39    43    44   0.04550  1.0 1.0
   33    39    43    44   0.83000 -1.0 2.0
   33    39    43    44  -0.04000  1.0 3.0
   33    39    43    47  -0.33500  1.0 1.0
   33    39    43    47   1.06600 -1.0 2.0
   33    39    43    47  -0.14000  1.0 3.0
   37    33    52    49   0.11950  1.0 1.0
   37    33    52    49   0.20300 -1.0 2.0
   37    33    52    49  -0.70800  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    56  -0.09450  1.0 1.0
   37    33    52    56  -1.12950 -1.0 2.0
   37    33    52    56   0.54000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    43   0.65300  1.0 1.0
   37    33    39    43  -0.03850 -1.0 2.0
   37    33    39    43   0.33900  1.0 3.0
   37    41    45    46   7.00000 -1.0 2.0
   37    41   -45    49   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   1.00000 -1.0 2.0
   41    45    49    50   1.00000 -1.0 2.0
   41    45    49    52  -0.33500  1.0 1.0
   41    45    49    52   1.06600 -1.0 2.0
   41    45    49    52  -0.14000  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    49   7.00000 -1.0 2.0
   45    49   -52    33   0.65300  1.0 1.0
   45    49   -52    33  -0.03850 -1.0 2.0
   45    49   -52    33   0.33900  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.65300  1.0 1.0
   45    49    52    56  -0.03850 -1.0 2.0
   45    49    52    56   0.33900  1.0 3.0
   46    45    49    50  -0.11900  1.0 1.0
   46    45    49    50   0.76850 -1.0 2.0
   46    45    49    50   0.14100  1.0 3.0
   46    45    49    52   0.32450 -1.0 2.0
   46    45    49    52   0.17400  1.0 3.0
   49    52    56    59  -1.11000  1.0 1.0
   49    52    56    59   0.50250 -1.0 2.0
   49    52    56    59   0.47450  1.0 3.0
   50    49    52    33   0.30150 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.30150 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    41   0.65300  1.0 1.0
   52    33   -37    41  -0.03850 -1.0 2.0
   52    33   -37    41   0.33900  1.0 3.0
   52    33    39    40   0.30150 -1.0 2.0
   52    33    39    43   0.65300  1.0 1.0
   52    33    39    43  -0.03850 -1.0 2.0
   52    33    39    43   0.33900  1.0 3.0
   52    56    59    60   0.37050  1.0 3.0
   52    56    59    62   0.06250  1.0 1.0
   52    56    59    62  -0.01100 -1.0 2.0
   52    56    59    62   0.28050  1.0 3.0
   52    56    59    82  -0.12700  1.0 1.0
   52    56    59    82  -1.16200 -1.0 2.0
   52    56    59    82   0.58800  1.0 3.0
   53    52    56    59   0.37050  1.0 3.0
   56    59    62    63   0.23400  1.0 3.0
   56    59    62    68   0.62750  1.0 1.0
   56    59    62    68  -0.30950 -1.0 2.0
   56    59    62    68   0.27300  1.0 3.0
   56    59    62    70   1.51850  1.0 1.0
   56    59    82    78  -0.70400  1.0 1.0
   56    59    82    78  -0.90350 -1.0 2.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    74   0.56750  1.0 1.0
   59    62    68    74  -0.07550 -1.0 2.0
   59    62    68    74   0.20000  1.0 3.0
   59    62    68    76  -0.47750  1.0 1.0
   59    62    70    71   0.29150  1.0 1.0
   59    62    70    71  -0.28350 -1.0 2.0
   59    62    70    71   0.43600  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   60    59    62    70   0.23400  1.0 3.0
   60    59    82    78   0.37050  1.0 3.0
   62    59    82    78   0.06250  1.0 1.0
   62    59    82    78  -0.01100 -1.0 2.0
   62    59    82    78   0.28050  1.0 3.0
   62    68    74    75   0.15000  1.0 3.0
   62    68   -74    78   0.56750  1.0 1.0
   62    68   -74    78  -0.07550 -1.0 2.0
   62    68   -74    78   0.20000  1.0 3.0
   62    68    74    80  -0.47750  1.0 1.0
   62    68    76    77   0.29150  1.0 1.0
   62    68    76    77  -0.28350 -1.0 2.0
   62    68    76    77   0.43600  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    74   0.15000  1.0 3.0
   63    62    68    76   0.23400  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    74    78    79   0.15000  1.0 3.0
   68    74    78    82   0.62750  1.0 1.0
   68    74    78    82  -0.30950 -1.0 2.0
   68    74    78    82   0.27300  1.0 3.0
   68    74    78    83   0.56750  1.0 1.0
   68    74    78    83  -0.07550 -1.0 2.0
   68    74    78    83   0.20000  1.0 3.0
   68    74    80    81   0.29150  1.0 1.0
   68    74    80    81  -0.28350 -1.0 2.0
   68    74    80    81   0.43600  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    78   0.15000  1.0 3.0
   69    68    74    80   0.23400  1.0 3.0
   69    68    76    77   0.19450  1.0 3.0
   74    68    76    77   0.29150  1.0 1.0
   74    68    76    77  -0.28350 -1.0 2.0
   74    68    76    77   0.43600  1.0 3.0
   74    78   -82    59   0.06250  1.0 1.0
   74    78   -82    59  -0.01100 -1.0 2.0
   74    78   -82    59   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    59   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    59    62    63   0.23400  1.0 3.0
   82    59   -62    68   0.62750  1.0 1.0
   82    59   -62    68  -0.30950 -1.0 2.0
   82    59   -62    68   0.27300  1.0 3.0
   82    59    62    70   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    59   0.06250  1.0 1.0
   83    78    82    59  -0.01100 -1.0 2.0
   83    78    82    59   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    68    74    75   0.23400  1.0 3.0
   76    68    74    78  -0.47750  1.0 1.0
   76    68    74    80   3.77950  1.0 1.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    74  -0.47750  1.0 1.0
   70    62    68    76   3.77950  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    52    49   0.11950  1.0 1.0
   39    33    52    49   0.20300 -1.0 2.0
   39    33    52    49  -0.70800  1.0 3.0
   39    33    52    53  -0.11250  1.0 3.0
   39    33    52    56  -0.09450  1.0 1.0
   39    33    52    56  -1.12950 -1.0 2.0
   39    33    52    56   0.54000  1.0 3.0
   39    43    47    48   7.00000 -1.0 2.0
   39    43    47    51   7.00000 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   1.00000 -1.0 2.0
   43    47    51    54   0.15800  1.0 1.0
   43    47    51    54   1.85350 -1.0 2.0
   43    47    51    54  -0.48700  1.0 3.0
   43    47    51    72   0.15800  1.0 1.0
   43    47    51    72   1.85350 -1.0 2.0
   43    47    51    72  -0.48700  1.0 3.0
   44    43    47    48   7.00000 -1.0 2.0
   44    43    47    51   7.00000 -1.0 2.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51    54    57   3.62500 -1.0 2.0
   47    51    72    64   3.62500 -1.0 2.0
   47    51    72    73   3.62500 -1.0 2.0
   48    47    51    54   0.56550  1.0 3.0
   48    47    51    72   0.56550  1.0 3.0
   51    54    57    58   3.62500 -1.0 2.0
   51    54    57    61   3.62500 -1.0 2.0
   54    51    72    64   3.62500 -1.0 2.0
   54    51    72    73   3.62500 -1.0 2.0
   54    57   -61    64   3.62500 -1.0 2.0
   54    57    61    66   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61    64    65   3.62500 -1.0 2.0
   57    61    64    72   3.62500 -1.0 2.0
   57    61    66    67   0.84100 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   61    64   -72    51   3.62500 -1.0 2.0
   61    64    72    73   3.62500 -1.0 2.0
   64    61    66    67   0.84100 -1.0 2.0
   65    64    72    51   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   72    51    54    55   3.62500 -1.0 2.0
   72    51   -54    57   3.62500 -1.0 2.0
   66    61    64    65   3.62500 -1.0 2.0
   66    61    64    72   3.62500 -1.0 2.0
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    41    37    38  10.50000 -1.0 2.0
   37    42    41    45   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   45    52    49    50  10.50000 -1.0 2.0
   33    43    39    40  10.50000 -1.0 2.0
   39    44    43    47  15.00000 -1.0 2.0
   51    48    47    43  15.00000 -1.0 2.0
   54    72    51    47   4.00000 -1.0 2.0
   57    55    54    51   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   64    66    61    57   4.00000 -1.0 2.0
   72    65    64    61   1.10000 -1.0 2.0
   64    73    72    51   1.10000 -1.0 2.0
END
