* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    148    227     437
    1     0 S   NP   _N1_     1    29.08063    95.06414   -18.32583
    2     1 S   H    _HN1     2     1.02772    70.20029   -88.09720
    3     1 S   H    _H1_     3     1.02964    95.93899    19.30820
    4     1 S   H    _H2_     4     1.02837    45.42321   127.44126
    5     1 S   CT   _CA1     5     1.50102   150.15510   171.45256
    6     5 S   HC   _HA1     6     1.09557   105.34778    27.35906
    7     5 S   CO3  _C1_     7     1.53995   112.18485   -93.14373
    8     7 S   O2Z  _O11     8     1.26360   114.88529   -45.04487
    9     7 S   O2Z  _O12     9     1.26229   115.02050   134.13469
   10     5 S   CT   _CB1    10     1.53146   107.44090   145.57154
   11    10 S   HC   HB11    11     1.09807   109.92309   -48.02817
   12    10 S   HC   HB12    12     1.09827   110.18245    68.72923
   13    10 S   CT   _CG1    13     1.52932   112.32833  -169.02164
   14    13 S   HC   HG11    14     1.09385   110.06155   -53.48660
   15    13 S   HC   HG12    15     1.09605   110.24176    65.39152
   16    13 S   C    _CD1    16     1.51758   112.29223  -173.92849
   17    16 S   O    _OE1    17     1.22726   123.15874   -14.84738
   18    16 S   N    _N2_    18     1.38554   111.64171   165.55823
   19    18 S   H    _HN2    19     1.01656   118.95714     2.10040
   20    18 S   CT1  _CA2    20     1.46159   123.63023  -175.03473
   21    20 S   HC   _HA2    21     1.09725   109.41407    -8.81733
   22    20 S   C    _C2_    22     1.53381   108.57548  -124.72788
   23    22 S   O    _O2_    23     1.23031   122.20991  -146.44020
   24    20 S   CT   _CB2    32     1.53698   111.11618   113.04534
   25    24 S   HC   HB21    33     1.09257   109.28406    57.10203
   26    24 S   HC   HB22    34     1.09476   109.97183   175.66627
   27    22 S   N    _N3_    24     1.38504   113.44997    41.07852
   28    27 S   H    _HN3    25     1.01518   118.89386    -0.87312
   29    24 S   S    _SG2    35     1.82913   111.32582   -64.99134
   30    27 S   CT   _CA3    26     1.45444   123.40967   175.15734
   31    30 S   HC   HA31    27     1.09529   109.15785    25.75201
   32    30 S   HC   HA32    28     1.09495   107.13241   142.71660
   33    29 S   CT   _C19    36     1.87894   102.59456   162.12695
   34    30 S   CO3  _C3_    29     1.52932   113.20703   -97.69214
   35    34 S   O2Z  _O31    30     1.26400   115.44947   -44.28643
   36    34 S   O2Z  _O32    31     1.26369   114.97637   136.70093
   37    33 S   CM   _C5_    37     1.55001   103.61197   163.18918
   38    37 S   HC   _H28    38     1.09738   110.93953   -64.68239
   39    33 S   CT   _C18    57     1.57556   113.60543   -69.46206
   40    39 S   HC   _H38    58     1.09463   105.94075  -161.38874
   41    33 S   CT   _C22    79     1.55040   108.57633    52.50793
   42    41 S   HC   _H45    80     1.09465   113.01473   -66.09902
   43    41 S   HC   _H46    81     1.09752   110.39789   174.37719
   44    41 S   HC   _H47    82     1.09747   112.34445    55.00602
   45    37 S   CMA  _C6_    39     1.35569   136.13721   118.52315
   46    45 S   OM   _O20    40     1.26258   129.21426   174.67505
   47    39 S   OH   _O24    59     1.43463   111.21086    86.69395
   48    47 S   HO   _H48    60     0.97201   107.85807   169.20690
   49    45 S   CM   _C4_    41     1.45364   121.42301    -5.04096
   50    49 S   HC   _H27    42     1.09029   114.00864    83.69392
   51    49 S   CM   _C7_    43     1.35086   126.94169   -91.93469
   52    51 S   CT   _C14    44     1.50946   119.51864   170.03893
   53    52 S   HC   _H33    45     1.09924   110.45344    22.59507
   54    52 S   HC   _H34    46     1.09777   108.80456   136.07274
   55    51 S   CT   _C20    75     1.50703   124.99079    -7.03723
   56    55 S   HC   _H39    76     1.09413   110.85672   123.00400
   57    55 S   HC   _H40    77     1.09324   113.24665     2.60294
   58    55 S   HC   _H41    78     1.09502   109.78725  -117.62321
   59    52 S   CT   _C17    47     1.55355   114.93724  -100.37321
   60    59 S   HC   _H37    48     1.09757   110.89326   -62.68210
   61    59 S   CT   _C15    49     1.55851   113.21300    60.59863
   62    61 S   HC   _H35    50     1.09738   108.14186    49.19060
   63    59 S   OS   _O25    64     1.45382   105.98539   178.77811
   64    61 S   CM   _C8_    51     1.49426   114.08398   170.89308
   65    63 S   CO4  _C13    65     1.36062   117.47855    84.65593
   66    65 S   O    _O22    66     1.22226   126.11150     0.27411
   67    64 S   CO4  _C9_    52     1.46953   110.36950   106.41438
   68    67 S   O    _O21    53     1.21746   127.37399  -172.26708
   69    64 S   CM   _C10    61     1.33624   128.43069   -78.95809
   70    69 S   HC   _H29    62     1.08426   120.80010     2.25195
   71    69 S   HC   _H30    63     1.08512   121.85821  -177.33450
   72    65 S   CM   _C12    67     1.48909   109.63940  -179.02783
   73    67 S   OS   _O23    54     1.35593   107.04568     8.60017
   74    72 S   CM   _C11    68     1.34150   117.29856  -170.20610
   75    74 S   HC   _H31    69     1.08547   120.97822  -179.41818
   76    74 S   HC   _H32    70     1.08546   122.43075     0.85843
   77    72 S   CT   _C21    71     1.49689   120.23774    11.04425
   78    77 S   HC   _H42    72     1.09391   110.61105   -67.10925
   79    77 S   HC   _H43    73     1.09500   110.65880    53.53910
   80    77 S   HC   _H44    74     1.09544   111.84405   173.12739
   81    61 S   CT   _C16    55     1.54228   112.86799   -74.90269
   82    81 S   HC   _H36    56     1.08675   111.07108     6.62969
  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  12   5   4   3
  17   2   1   1  14   5  16   7   6   2   1   1   6   3   5   1
  10   3  11  14   6   5   4   2   1   1  13   6  12   7   7   8
   9   3   7   3   4   1   1   7   2   6   2   1   3   2   1   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    81    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    61    73    81    82    39    40    47    48    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    51    81    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    41    42    43    44    45    59    61    62    64    67    73    81    82  
   47    48    41    61    73    81    82  
   42    43    44    45    47    81  
   43    44  
   44  
    0  
   46    49    50    51    52    55  
   49    50    51  
   48    61    73    81    82  
   81  
   50    51    52    53    54    59    55    56    57    58  
   51    52    55  
   52    53    54    59    60    61    63    55    56    57    58  
   53    54    59    60    61    62    64    81    63    65    55    56    57    58  
   54    59    60    61    63    55  
   59    60    61    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    64    67    73    81    82    69    63    65    66    72  
   61    62    64    81    63    65  
   62    64    67    68    73    81    82    69    70    71    63    65  
   64    67    73    81    82    69    63  
   65    66    72    74    77    64    81  
   67    68    73    81    82    69    70    71  
   66    72    74    75    76    77    78    79    80  
   72    74    77  
   68    73    81    82    69    70    71  
   73    81    69  
   70    71    73    81  
   71  
    0  
   74    75    76    77    78    79    80  
   81    82  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   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  1.510
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   465.000  1.376
   45    46   745.000  1.250
   45    49   465.000  1.376
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   317.000  1.510
   51    55   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    81   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    81   320.000  1.410
   81    82   340.000  1.090
   81    39   268.000  1.529
   39    40   340.000  1.090
   39    47   320.000  1.410
   47    48   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   320.000  1.462
   72    74   549.000  1.340
   72    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    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  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    81    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    47    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    65.00000  137.10300
   37    45    49    70.00000  123.01800
   45    37    38    40.00000  120.50800
   45    49    50    40.00000  120.50800
   45    49    51    70.00000  117.34000
   49    45    46    65.00000  137.10300
   49    51    52    70.00000  124.00000
   49    51    55    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  109.50000
   51    52    54    35.00000  109.50000
   51    52    59    70.00000  112.02700
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    58.35000  112.70000
   52    59    63    50.00000  109.50000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    64    70.00000  112.02700
   59    61    81    58.35000  112.70000
   59    63    65    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    81    73    50.00000  109.50000
   61    81    82    37.50000  110.70000
   61    81    39    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    73    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    73    81    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    81    82    35.00000  109.50000
   73    81    39    50.00000  109.50000
   81    61    62    37.50000  110.70000
   81    61    64    70.00000  112.02700
   81    39    40    37.50000  110.70000
   81    39    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    81    82    37.50000  110.70000
   39    47    48    55.00000  108.50000
   47    39    40    35.00000  109.50000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    90.00000  111.29400
   65    72    74    65.00000  118.96000
   65    72    77    65.00000  116.34900
   72    65    66    80.00000  123.72100
   72    74    75    35.00000  120.00000
   72    74    76    35.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    72    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   55    51    52    65.00000  117.92700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   41    33    37    70.00000  112.02700
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    81   0.44750  1.0 1.0
   29    33    39    81  -0.17800 -1.0 2.0
   29    33    39    81   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   37    33    39    81   0.34400  1.0 1.0
   37    33    39    81   0.09450 -1.0 2.0
   37    33    39    81   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    47   1.05650  1.0 1.0
   37    33    39    47   0.15600 -1.0 2.0
   37    33    39    47   0.53150  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    50   7.00000 -1.0 2.0
   37    45    49    51   7.00000 -1.0 2.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    51    52   7.00000 -1.0 2.0
   45    49    51    55   7.00000 -1.0 2.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    54   0.00000  1.0 1.0
   49    51    52    59   0.09850  1.0 1.0
   49    51    52    59   0.15250 -1.0 2.0
   49    51    52    59  -0.50650  1.0 3.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    58   0.00000  1.0 1.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    55   7.00000 -1.0 2.0
   51    52    59    60   0.15000  1.0 3.0
   51    52    59    61   0.34400  1.0 1.0
   51    52    59    61   0.09450 -1.0 2.0
   51    52    59    61   0.11100  1.0 3.0
   51    52    59    63   0.61850  1.0 1.0
   51    52    59    63  -0.22750 -1.0 2.0
   51    52    59    63   0.15300  1.0 3.0
   52    51    55    56   0.34800  1.0 3.0
   52    51    55    57   0.34800  1.0 3.0
   52    51    55    58   0.34800  1.0 3.0
   52    59    61    62   0.15000  1.0 3.0
   52    59    61    64   0.34400  1.0 1.0
   52    59    61    64   0.09450 -1.0 2.0
   52    59    61    64   0.11100  1.0 3.0
   52    59    61    81   0.56750  1.0 1.0
   52    59    61    81  -0.07550 -1.0 2.0
   52    59    61    81   0.20000  1.0 3.0
   52    59    63    65  -0.25900  1.0 1.0
   52    59    63    65  -0.47000 -1.0 2.0
   52    59    63    65   0.11750  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    63   0.23400  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    63   0.23400  1.0 3.0
   59    61    64    67   0.09700  1.0 1.0
   59    61    64    67   0.15600 -1.0 2.0
   59    61    64    67  -0.50800  1.0 3.0
   59    61    64    69   0.09850  1.0 1.0
   59    61    64    69   0.15250 -1.0 2.0
   59    61    64    69  -0.50650  1.0 3.0
   59    61    81    73   0.62750  1.0 1.0
   59    61    81    73  -0.30950 -1.0 2.0
   59    61    81    73   0.27300  1.0 3.0
   59    61    81    82   0.15000  1.0 3.0
   59    61    81    39   0.56750  1.0 1.0
   59    61    81    39  -0.07550 -1.0 2.0
   59    61    81    39   0.20000  1.0 3.0
   59    63    65    66   3.00000 -1.0 2.0
   59    63    65    72   2.00000 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    81   0.15000  1.0 3.0
   60    59    63    65   0.08050  1.0 3.0
   61    59    63    65  -0.25900  1.0 1.0
   61    59    63    65  -0.47000 -1.0 2.0
   61    59    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    73  -0.15000  1.0 1.0
   61    64   -67    73   0.89550 -1.0 2.0
   61    64   -67    73  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    81    39    33   0.56750  1.0 1.0
   61    81    39    33  -0.07550 -1.0 2.0
   61    81    39    33   0.20000  1.0 3.0
   61    81    39    40   0.15000  1.0 3.0
   61    81    39    47   0.86500  1.0 1.0
   61    81    39    47  -0.17500 -1.0 2.0
   61    81    39    47   0.20800  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    81    73   0.23400  1.0 3.0
   62    61    81    82   0.15000  1.0 3.0
   62    61    81    39   0.15000  1.0 3.0
   64    61   -81    73   0.61850  1.0 1.0
   64    61   -81    73  -0.22750 -1.0 2.0
   64    61   -81    73   0.15300  1.0 3.0
   64    61    81    82   0.15000  1.0 3.0
   64    61    81    39   0.34400  1.0 1.0
   64    61    81    39   0.09450 -1.0 2.0
   64    61    81    39   0.11100  1.0 3.0
   64    67   -73    81   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    73   -81    61  -0.25900  1.0 1.0
   67    73   -81    61  -0.47000 -1.0 2.0
   67    73   -81    61   0.11750  1.0 3.0
   67    73    81    82   0.08050  1.0 3.0
   67    73    81    39  -0.25900  1.0 1.0
   67    73    81    39  -0.47000 -1.0 2.0
   67    73    81    39   0.11750  1.0 3.0
   68    67    73    81   3.00000 -1.0 2.0
   73    81    39    33   0.62750  1.0 1.0
   73    81    39    33  -0.30950 -1.0 2.0
   73    81    39    33   0.27300  1.0 3.0
   73    81    39    40   0.23400  1.0 3.0
   73    81    39    47   3.69350  1.0 1.0
   73    81    39    47  -1.82950 -1.0 2.0
   81    61   -64    67   0.09700  1.0 1.0
   81    61   -64    67   0.15600 -1.0 2.0
   81    61   -64    67  -0.50800  1.0 3.0
   81    61    64    69   0.09850  1.0 1.0
   81    61    64    69   0.15250 -1.0 2.0
   81    61    64    69  -0.50650  1.0 3.0
   81    39    47    48  -0.11600  1.0 1.0
   81    39    47    48  -0.09450 -1.0 2.0
   81    39    47    48   0.21250  1.0 3.0
   82    81    39    33   0.15000  1.0 3.0
   82    81    39    40   0.15000  1.0 3.0
   82    81    39    47   0.23400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45   0.09850  1.0 1.0
   39    33    37    45   0.15250 -1.0 2.0
   39    33    37    45  -0.50650  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   0.19450  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    73  -0.56150  1.0 1.0
   69    64    67    73   2.19150 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    64   0.61850  1.0 1.0
   63    59    61    64  -0.22750 -1.0 2.0
   63    59    61    64   0.15300  1.0 3.0
   63    59    61    81   0.62750  1.0 1.0
   63    59    61    81  -0.30950 -1.0 2.0
   63    59    61    81   0.27300  1.0 3.0
   63    65    72    74  -0.56150  1.0 1.0
   63    65    72    74   2.19150 -1.0 2.0
   63    65    72    77  -0.15000  1.0 1.0
   63    65    72    77   0.89550 -1.0 2.0
   63    65    72    77  -0.06900  1.0 3.0
   65    72    74    75   7.00000 -1.0 2.0
   65    72    74    76   7.00000 -1.0 2.0
   65    72    77    78   0.15000  1.0 3.0
   65    72    77    79   0.15000  1.0 3.0
   65    72    77    80   0.15000  1.0 3.0
   66    65    72    74   1.00000 -1.0 2.0
   66    65    72    77  -0.64400  1.0 1.0
   66    65    72    77   0.26850 -1.0 2.0
   74    72    77    78   0.00000  1.0 1.0
   74    72    77    79   0.00000  1.0 1.0
   74    72    77    80   0.00000  1.0 1.0
   77    72    74    75   7.00000 -1.0 2.0
   77    72    74    76   7.00000 -1.0 2.0
   55    51    52    53   0.34800  1.0 3.0
   55    51    52    54   0.34800  1.0 3.0
   55    51    52    59   0.46850  1.0 1.0
   55    51    52    59   0.08550 -1.0 2.0
   55    51    52    59   0.09800  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    81   0.56750  1.0 1.0
   41    33    39    81  -0.07550 -1.0 2.0
   41    33    39    81   0.20000  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    47   0.86500  1.0 1.0
   41    33    39    47  -0.17500 -1.0 2.0
   41    33    39    47   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    45   1.10000 -1.0 2.0
   49    46    45    37   1.10000 -1.0 2.0
   45    50    49    51   1.10000 -1.0 2.0
   52    55    51    49   1.10000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    73    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
   65    77    72    74  15.00000 -1.0 2.0
   75    76    74    72  15.00000 -1.0 2.0
END
