* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    29.21195    91.02193   -22.02751
    2     1 S   H    _HN1     2     1.02841    20.58783    88.67184
    3     1 S   H    _H1_     3     1.02797    87.20259   -92.90393
    4     1 S   H    _H2_     4     1.02954   114.60280    15.86268
    5     1 S   CT   _CA1     5     1.50023   121.30283   152.83829
    6     5 S   HC   _HA1     6     1.09555   105.42702    39.82714
    7     5 S   CO3  _C1_     7     1.53890   112.23814   -80.82007
    8     7 S   O2Z  _O11     8     1.26457   115.14756   -50.03917
    9     7 S   O2Z  _O12     9     1.26266   115.29711   130.36946
   10     5 S   CT   _CB1    10     1.53243   107.45579   158.02438
   11    10 S   HC   HB11    11     1.09807   109.93348   -48.65401
   12    10 S   HC   HB12    12     1.09818   110.24167    68.04477
   13    10 S   CT   _CG1    13     1.52925   112.28894  -169.60732
   14    13 S   HC   HG11    14     1.09364   110.39534   -50.94878
   15    13 S   HC   HG12    15     1.09619   110.14523    67.78580
   16    13 S   C    _CD1    16     1.51731   112.31345  -171.74874
   17    16 S   O    _OE1    17     1.22712   123.16264   -19.33291
   18    16 S   N    _N2_    18     1.38521   111.53514   161.84263
   19    18 S   H    _HN2    19     1.01606   118.91030     1.57731
   20    18 S   CT1  _CA2    20     1.46175   123.88380  -179.15027
   21    20 S   HC   _HA2    21     1.09716   109.54033    -2.89097
   22    20 S   C    _C2_    22     1.53454   108.66420  -118.65550
   23    22 S   O    _O2_    23     1.23063   122.35507  -148.90643
   24    20 S   CT   _CB2    32     1.53208   110.71523   119.35395
   25    24 S   HC   HB21    33     1.09612   109.58346    51.19687
   26    24 S   HC   HB22    34     1.09352   110.95874   170.33916
   27    22 S   N    _N3_    24     1.38360   113.64418    38.69026
   28    27 S   H    _HN3    25     1.01621   119.50172    -3.78993
   29    24 S   S    _SG2    35     1.82601   111.63358   -70.20441
   30    27 S   CT   _CA3    26     1.45280   123.07513   176.89474
   31    30 S   HC   HA31    27     1.09554   107.51262   -63.82120
   32    30 S   HC   HA32    28     1.09560   107.95187    52.56958
   33    29 S   CT   _C8_    36     1.84492    99.16409   162.19081
   34    33 S   HC   _H7_    37     1.09587   107.04621     7.94137
   35    30 S   CO3  _C3_    29     1.52915   114.18481   174.53801
   36    35 S   O2Z  _O31    30     1.26355   116.07940    -1.63937
   37    35 S   O2Z  _O32    31     1.26436   114.39720   178.42753
   38    33 S   CT   _C7_    38     1.54244   110.19457  -111.04550
   39    38 S   HC   _H6_    39     1.09776   109.87798   -60.49313
   40    38 S   CT   _C6_    40     1.53991   110.75721   179.16491
   41    40 S   HC   _H5_    41     1.09618   108.43020   176.13679
   42    38 S   OS   _O37    77     1.42989   109.95949    59.39476
   43    40 S   CT   _C5_    42     1.53845   111.90065    54.40352
   44    43 S   HC   _H4_    43     1.09720   108.51162  -170.23652
   45    40 S   OS   _O41    71     1.42833   108.65636   -65.87592
   46    42 S   P1   _P2_    78     1.61636   118.99135  -141.70372
   47    46 S   O2Z  _O38    79     1.49832   115.85027   -57.45128
   48    43 S   CT   _C4_    44     1.54655   112.78782   -51.03564
   49    48 S   HC   _H3_    45     1.09523   107.69428   171.92800
   50    43 S   OS   _O45    64     1.42510   108.71962    70.76539
   51    45 S   P2   _P3_    72     1.62863   119.03369  -136.58058
   52    51 S   O2Z  _O44    73     1.51138   109.69845   -59.38022
   53    51 S   O2Z  _O42    74     1.51120   109.15899    75.63516
   54    46 S   OS   _O39    80     1.61385   103.08806   175.83849
   55    54 S   HO   _H10    81     0.98283   117.67343  -179.88636
   56    46 S   OS   _O40    82     1.61463   103.38124    69.01955
   57    56 S   HO   _H11    83     0.98306   117.24715  -175.42671
   58    33 S   CT   _C9_    46     1.54287   110.29469   126.34070
   59    58 S   HC   _H8_    47     1.09528   109.35484   -58.46623
   60    48 S   OS   _O49    54     1.42718   107.02083   -70.49704
   61    50 S   P1   _P4_    65     1.61315   119.05102   110.72681
   62    61 S   O2Z  _O46    66     1.49929   115.28352    57.85697
   63    51 S   OS   _O43    75     1.63036    98.08430  -171.64320
   64    63 S   HO   _H12    76     0.97947   115.95739    74.83660
   65    58 S   OS   _O33    48     1.42939   109.12455    60.96048
   66    60 S   P2   _P5_    55     1.63040   122.64573  -157.05939
   67    66 S   O2Z  _O51    56     1.51358   107.31931   162.19611
   68    66 S   O2Z  _O50    57     1.51153   109.79053    29.42834
   69    61 S   OS   _O47    67     1.61284   104.12287   -68.68322
   70    69 S   HO   _H13    68     0.97884   118.12661   165.11176
   71    61 S   OS   _O48    69     1.61336   103.78323  -176.29150
   72    71 S   HO   _H14    70     0.97878   117.81993  -168.45829
   73    65 S   P2   _P1_    49     1.62842   119.81927  -143.61598
   74    73 S   O2Z  _O36    50     1.51042   109.64729   -72.19147
   75    73 S   O2Z  _O34    51     1.51105   109.67049    63.57897
   76    66 S   OS   _O52    58     1.62791    99.11575   -85.12849
   77    73 S   OS   _O35    52     1.63130    98.29103   175.73015
   78    77 S   HO   _H9_    53     0.97828   116.06538  -179.89721
   79    76 S   P2   _P6_    59     1.62556   130.16785  -173.69954
   80    79 S   O2Z  _O55    60     1.51178   109.50634    70.16655
   81    79 S   O2Z  _O53    61     1.51077   110.05258   -65.18955
   82    79 S   OS   _O54    62     1.63123    98.52468  -178.14512
   83    82 S   HO   _H15    63     0.97885   116.02330   -82.23108
  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
  16   8   2   1   1  17   7  16   7   9  15   7   7   5   4  12
   6   8   4   3   2   3   1   1   1   8   3   6   5   4   1   1
   5   7   3   2   3   1   1   1   4   3   2   5   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    58    59    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    58    59    65    73    60    45    42    46  
   38    39    40    48    58    59    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    48    58    59    65    50    45    51    42    46    47    54    56  
   40    41    43    58    45    42    46  
   41    43    44    48    49    58    60    50    61    45    51    52    53    63    42    46  
   43    44    48    50    45    51    42  
   46    47    54    55    56    57    43    45    58  
   44    48    49    58    59    65    60    66    50    61    62    69    71    45    51  
   48    49    58    60    50    61    45  
   51    52    53    63    64    48    50  
   47    54    55    56    57  
   54    55    56    57  
   49    58    59    65    73    60    66    67    68    76    50    61  
   58    59    65    60    66    50  
   61    62    69    70    71    72    58    60  
   52    53    63    64  
   53    63    64  
   63    64  
   55    56    57  
   56  
   57  
    0  
   59    65    73    74    75    77    60    66  
   65    73    60  
   66    67    68    76    79    65  
   62    69    70    71    72  
   69    70    71    72  
   64  
    0  
   73    74    75    77    78  
   67    68    76    79    80    81    82  
   68    76    79  
   76    79  
   70    71    72  
   71  
   72  
    0  
   74    75    77    78  
   75    77    78  
   77    78  
   79    80    81    82    83  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   74   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   75   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   76   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   77   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   80   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    58   268.000  1.529
   48    60   320.000  1.410
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    73   230.000  1.697
   73    74   525.000  1.480
   73    75   525.000  1.480
   73    77   230.000  1.697
   77    78   553.000  0.945
   60    66   230.000  1.697
   66    67   525.000  1.480
   66    68   525.000  1.480
   66    76   230.000  1.697
   76    79   230.000  1.697
   79    80   525.000  1.480
   79    81   525.000  1.480
   79    82   230.000  1.697
   82    83   553.000  0.945
   50    61   405.000  1.623
   61    62   675.000  1.490
   61    69   405.000  1.623
   61    71   405.000  1.623
   69    70   553.000  0.945
   71    72   553.000  0.945
   45    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    63   230.000  1.697
   63    64   553.000  0.945
   42    46   405.000  1.623
   46    47   675.000  1.490
   46    54   405.000  1.623
   46    56   405.000  1.623
   54    55   553.000  0.945
   56    57   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    75.00000  119.24600
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    58.35000  112.70000
   40    43    50    50.00000  109.50000
   40    45    51   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    58    58.35000  112.70000
   43    48    60    50.00000  109.50000
   43    50    61    75.00000  119.24600
   48    43    44    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    65    50.00000  109.50000
   48    60    66   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    65    73   100.00000  120.50000
   65    58    59    35.00000  109.50000
   65    73    74   100.00000  108.23000
   65    73    75   100.00000  108.23000
   65    73    77    45.00000  102.60000
   73    77    78    45.00000  108.50000
   75    73    74   140.00000  119.90000
   77    73    74   100.00000  108.23000
   77    73    75   100.00000  108.23000
   60    48    49    35.00000  109.50000
   60    48    58    50.00000  109.50000
   60    66    67   100.00000  108.23000
   60    66    68   100.00000  108.23000
   60    66    76    45.00000  102.60000
   66    76    79    50.00000  132.62000
   68    66    67   140.00000  119.90000
   76    66    67   100.00000  108.23000
   76    66    68   100.00000  108.23000
   76    79    80   100.00000  108.23000
   76    79    81   100.00000  108.23000
   76    79    82    45.00000  102.60000
   79    82    83    45.00000  108.50000
   81    79    80   140.00000  119.90000
   82    79    80   100.00000  108.23000
   82    79    81   100.00000  108.23000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   50    61    62   100.00000  115.86100
   50    61    69   120.00000  102.38000
   50    61    71   120.00000  102.38000
   61    69    70    50.00000  113.86100
   61    71    72    50.00000  113.86100
   69    61    62   100.00000  115.86100
   71    61    62   100.00000  115.86100
   71    61    69   120.00000  102.38000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    51    52   100.00000  108.23000
   45    51    53   100.00000  108.23000
   45    51    63    45.00000  102.60000
   51    63    64    45.00000  108.50000
   53    51    52   140.00000  119.90000
   63    51    52   100.00000  108.23000
   63    51    53   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  115.86100
   42    46    54   120.00000  102.38000
   42    46    56   120.00000  102.38000
   46    54    55    50.00000  113.86100
   46    56    57    50.00000  113.86100
   54    46    47   100.00000  115.86100
   56    46    47   100.00000  115.86100
   56    46    54   120.00000  102.38000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    65   0.56750  1.0 1.0
   29    33    58    65  -0.07550 -1.0 2.0
   29    33    58    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    65    73  -2.65550  1.0 1.0
   33    58    65    73  -0.22350 -1.0 2.0
   33    58    65    73   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    65   0.23400  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    65   0.62750  1.0 1.0
   38    33    58    65  -0.30950 -1.0 2.0
   38    33    58    65   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    48   0.56750  1.0 1.0
   38    40   -43    48  -0.07550 -1.0 2.0
   38    40   -43    48   0.20000  1.0 3.0
   38    40    43    50   0.62750  1.0 1.0
   38    40    43    50  -0.30950 -1.0 2.0
   38    40    43    50   0.27300  1.0 3.0
   38    40    45    51  -2.65550  1.0 1.0
   38    40    45    51  -0.22350 -1.0 2.0
   38    40    45    51   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    54   0.91800  1.0 1.0
   38    42    46    54   0.22900 -1.0 2.0
   38    42    46    54   0.32050  1.0 3.0
   38    42    46    56   0.91800  1.0 1.0
   38    42    46    56   0.22900 -1.0 2.0
   38    42    46    56   0.32050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    58   0.56750  1.0 1.0
   40    43    48    58  -0.07550 -1.0 2.0
   40    43    48    58   0.20000  1.0 3.0
   40    43    48    60   0.62750  1.0 1.0
   40    43    48    60  -0.30950 -1.0 2.0
   40    43    48    60   0.27300  1.0 3.0
   40    43    50    61  -2.65550  1.0 1.0
   40    43    50    61  -0.22350 -1.0 2.0
   40    43    50    61   0.24150  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    63   0.05050  1.0 1.0
   40    45    51    63  -1.30700 -1.0 2.0
   40    45    51    63   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    51   0.03000  1.0 3.0
   43    40    45    51  -2.65550  1.0 1.0
   43    40    45    51  -0.22350 -1.0 2.0
   43    40    45    51   0.24150  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    65   0.62750  1.0 1.0
   43    48    58    65  -0.30950 -1.0 2.0
   43    48    58    65   0.27300  1.0 3.0
   43    48    60    66  -2.65550  1.0 1.0
   43    48    60    66  -0.22350 -1.0 2.0
   43    48    60    66   0.24150  1.0 3.0
   43    50    61    62   0.00000  1.0 1.0
   43    50    61    69   0.91800  1.0 1.0
   43    50    61    69   0.22900 -1.0 2.0
   43    50    61    69   0.32050  1.0 3.0
   43    50    61    71   0.91800  1.0 1.0
   43    50    61    71   0.22900 -1.0 2.0
   43    50    61    71   0.32050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   44    43    48    60   0.23400  1.0 3.0
   44    43    50    61   0.03000  1.0 3.0
   48    43    50    61  -2.65550  1.0 1.0
   48    43    50    61  -0.22350 -1.0 2.0
   48    43    50    61   0.24150  1.0 3.0
   48    58    65    73  -2.65550  1.0 1.0
   48    58    65    73  -0.22350 -1.0 2.0
   48    58    65    73   0.24150  1.0 3.0
   48    60    66    67   0.00000  1.0 1.0
   48    60    66    68   0.00000  1.0 1.0
   48    60    66    76   0.05050  1.0 1.0
   48    60    66    76  -1.30700 -1.0 2.0
   48    60    66    76   0.91550  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    65   0.23400  1.0 3.0
   49    48    60    66   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    48    60    66  -2.65550  1.0 1.0
   58    48    60    66  -0.22350 -1.0 2.0
   58    48    60    66   0.24150  1.0 3.0
   58    65    73    74   0.00000  1.0 1.0
   58    65    73    75   0.00000  1.0 1.0
   58    65    73    77   0.05050  1.0 1.0
   58    65    73    77  -1.30700 -1.0 2.0
   58    65    73    77   0.91550  1.0 3.0
   59    58    65    73   0.03000  1.0 3.0
   65    73    77    78   0.00000  1.0 1.0
   74    73    77    78   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   60    48    58    33   0.62750  1.0 1.0
   60    48    58    33  -0.30950 -1.0 2.0
   60    48    58    33   0.27300  1.0 3.0
   60    48    58    59   0.23400  1.0 3.0
   60    48    58    65   1.11900  1.0 1.0
   60    48    58    65  -1.16350 -1.0 2.0
   60    48    58    65  -0.34150  1.0 3.0
   60    66    76    79   0.15000  1.0 3.0
   66    76    79    80   0.50000  1.0 3.0
   66    76    79    81   0.50000  1.0 3.0
   66    76    79    82   0.15000  1.0 3.0
   67    66    76    79   0.50000  1.0 3.0
   68    66    76    79   0.50000  1.0 3.0
   76    79    82    83   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    58   0.62750  1.0 1.0
   50    43    48    58  -0.30950 -1.0 2.0
   50    43    48    58   0.27300  1.0 3.0
   50    43    48    60   1.11900  1.0 1.0
   50    43    48    60  -1.16350 -1.0 2.0
   50    43    48    60  -0.34150  1.0 3.0
   50    61    69    70  -0.22900  1.0 1.0
   50    61    69    70   0.09450 -1.0 2.0
   50    61    69    70  -0.07800  1.0 3.0
   50    61    71    72  -0.22900  1.0 1.0
   50    61    71    72   0.09450 -1.0 2.0
   50    61    71    72  -0.07800  1.0 3.0
   62    61    69    70   0.00000  1.0 1.0
   62    61    71    72   0.00000  1.0 1.0
   69    61    71    72  -0.22900  1.0 1.0
   69    61    71    72   0.09450 -1.0 2.0
   69    61    71    72  -0.07800  1.0 3.0
   71    61    69    70  -0.22900  1.0 1.0
   71    61    69    70   0.09450 -1.0 2.0
   71    61    69    70  -0.07800  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    48   0.62750  1.0 1.0
   45    40    43    48  -0.30950 -1.0 2.0
   45    40    43    48   0.27300  1.0 3.0
   45    40    43    50   1.11900  1.0 1.0
   45    40    43    50  -1.16350 -1.0 2.0
   45    40    43    50  -0.34150  1.0 3.0
   45    51    63    64   0.00000  1.0 1.0
   52    51    63    64   0.00000  1.0 1.0
   53    51    63    64   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    54    55  -0.22900  1.0 1.0
   42    46    54    55   0.09450 -1.0 2.0
   42    46    54    55  -0.07800  1.0 3.0
   42    46    56    57  -0.22900  1.0 1.0
   42    46    56    57   0.09450 -1.0 2.0
   42    46    56    57  -0.07800  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    56    57   0.00000  1.0 1.0
   54    46    56    57  -0.22900  1.0 1.0
   54    46    56    57   0.09450 -1.0 2.0
   54    46    56    57  -0.07800  1.0 3.0
   56    46    54    55  -0.22900  1.0 1.0
   56    46    54    55   0.09450 -1.0 2.0
   56    46    54    55  -0.07800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
