* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    148    232     450
    1     0 S   NP   _N1_     1    31.97361    98.66487   -18.66382
    2     1 S   H    _HN1     2     1.03946   121.29458    22.47253
    3     1 S   H    _H1_     3     1.03392   129.13214  -135.27446
    4     1 S   H    _H2_     4     1.02770    76.83505   123.55176
    5     1 S   CT   _CA1     5     1.49824    34.04514   -64.88084
    6     5 S   HC   _HA1     6     1.09715   105.29252    56.72712
    7     5 S   CO3  _C1_     7     1.54586   111.96089   -58.13896
    8     7 S   O2Z  _O11     8     1.26142   116.82811  -134.50388
    9     7 S   O2Z  _O12     9     1.26682   114.07949    46.23956
   10     5 S   CT   _CB1    10     1.53278   108.35678   173.91318
   11    10 S   HC   HB11    11     1.09808   109.43688    51.80472
   12    10 S   HC   HB12    12     1.09737   109.99737   167.24300
   13    10 S   CT   _CG1    13     1.53212   113.45450   -73.07045
   14    13 S   HC   HG11    14     1.09642   110.18378  -100.85514
   15    13 S   HC   HG12    15     1.09394   112.37602    17.26784
   16    13 S   C    _CD1    16     1.51266   110.46965   139.74030
   17    16 S   O    _OE1    17     1.22842   121.96135    85.03962
   18    16 S   N    _N2_    18     1.38075   112.60534   -93.12983
   19    18 S   H    _HN2    19     1.02310   119.30509    -0.86230
   20    18 S   CT1  _CA2    20     1.45947   123.56180   176.60558
   21    20 S   HC   _HA2    21     1.09666   108.67038    26.82050
   22    20 S   C    _C2_    22     1.53056   108.16071   -89.98752
   23    22 S   O    _O2_    23     1.23108   121.18403   150.99275
   24    20 S   CT   _CB2    32     1.53495   111.96331   149.85753
   25    24 S   HC   HB21    33     1.09019   109.56697    68.87622
   26    24 S   HC   HB22    34     1.09542   110.08819  -173.85937
   27    22 S   N    _N3_    24     1.38426   114.18835   -36.37959
   28    27 S   H    _HN3    25     1.01893   119.11523    -0.05935
   29    24 S   S    _SG2    35     1.82481   110.67912   -53.92435
   30    27 S   CT   _CA3    26     1.45185   123.33963  -178.36123
   31    30 S   HC   HA31    27     1.09549   108.48996   -41.90944
   32    30 S   HC   HA32    28     1.09551   107.02382    74.49322
   33    29 S   CT   _C15    36     1.85402   102.06054   154.07155
   34    33 S   HC   _H13    37     1.09720   106.07363    59.24071
   35    30 S   CO3  _C3_    29     1.53010   114.32073  -164.02982
   36    35 S   O2Z  _O31    30     1.26372   116.29882    11.66346
   37    35 S   O2Z  _O32    31     1.26500   114.30313  -168.62849
   38    33 S   CT   _C10    38     1.55510   107.60753   175.40850
   39    38 S   HC   _H8_    39     1.09888   110.68917    54.30329
   40    38 S   CT   _C11    40     1.54130   111.95490   175.74191
   41    40 S   HC   _H9_    41     1.09712   109.67794    75.71797
   42    38 S   OS   _O34    58     1.44420   108.12610   -67.08509
   43    40 S   CT   _C12    42     1.52975   114.11665   -48.15081
   44    43 S   HC   _H10    43     1.09611   110.98311   -73.26284
   45    40 S   OH   _O40    56     1.43243   109.46310  -169.10326
   46    45 S   HO   _H18    57     0.97271   107.96595    59.91863
   47    42 S   CO   _C9_    59     1.43356   114.34339   121.40252
   48    47 S   HC   _H7_    60     1.09666   109.46210   -39.49924
   49    43 S   CT   _C13    44     1.52547   111.27110    50.69037
   50    49 S   HC   _H11    45     1.09732   109.58363    64.66267
   51    43 S   OH   _O39    54     1.43370   108.61151   171.14268
   52    51 S   HO   _H17    55     0.97201   108.08970   -64.16171
   53    47 S   CT   _C8_    61     1.54236   110.49705  -157.88634
   54    53 S   HC   _H6_    62     1.09844   108.28069   172.93303
   55    33 S   CT   _C14    46     1.54899   112.81847   -60.80232
   56    55 S   HC   _H12    47     1.09540   109.96845    64.52364
   57    49 S   OH   _O38    52     1.42752   108.77595   180.00000
   58    57 S   HO   _H16    53     0.97267   107.85956   166.34828
   59    53 S   CT   _C7_    63     1.53395   111.06763   -68.77948
   60    59 S   HC   _H5_    64     1.09702   111.06769    69.41528
   61    53 S   NTH2 _N4_    79     1.46545   111.80143    54.69075
   62    61 S   H    _H19    80     1.01919   109.55796   176.46609
   63    61 S   H    _H20    81     1.01916   109.92507    59.11641
   64    55 S   OS   _O35    48     1.43629   108.68699   -56.93477
   65    59 S   CT   _C6_    65     1.53360   109.99183   -52.67971
   66    65 S   HC   _H4_    66     1.09647   108.74379   -70.04793
   67    59 S   OH   _O41    77     1.43085   109.92964  -172.91222
   68    67 S   HO   _H21    78     0.97236   108.07773    63.10353
   69    64 S   PR   _P1_    49     1.62388   118.73898   149.40393
   70    69 S   OM   _O37    50     1.63958    98.24883  -163.60700
   71    69 S   OM   _O36    51     1.64064    99.10308   -65.47087
   72    65 S   CT   _C5_    67     1.53328   110.74432    51.66145
   73    72 S   HC   _H3_    68     1.09699   109.37035    65.77381
   74    65 S   OH   _O42    75     1.42705   109.69969   173.35710
   75    74 S   HO   _H22    76     0.97251   108.05365   -57.02332
   76    47 S   OS   _O33    69     1.43272   112.57391    79.09204
   77    72 S   CT   _C4_    70     1.53202   112.67777  -175.60118
   78    77 S   HC   _H14    71     1.09449   110.91738   -64.19040
   79    77 S   HC   _H15    72     1.09488   110.30579   174.97609
   80    77 S   OH   _O43    73     1.42340   110.62307    56.08486
   81    80 S   HO   _H23    74     0.97236   107.00436   179.47400
  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  13   7  11  12   7   3   1  14   6
   9   6   3   1  13   8   7   3   2   1  14   7   5   1   1   3
  12   7   3   1   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    55    56    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    55    56    64    69    57    45    42    47  
   38    39    40    49    55    56    64    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    55    56    64    51    45    46    42    47    48    53    76  
   40    41    43    55    45    42    47  
   41    43    44    49    50    55    57    51    52    45    46    42    47  
   43    44    49    51    45    46    42  
   47    48    53    54    59    72    76    61    43    45    55  
   44    49    50    55    56    64    57    58    51    52    45    46  
   49    50    55    57    51    52    45  
   46    49    51  
    0  
   48    53    54    59    60    65    72    73    76    77    67    61    62    63  
   53    54    59    72    76    61  
   50    55    56    64    69    57    58    51    52  
   55    56    64    57    58    51  
   52    55    57  
    0  
   54    59    60    65    66    72    76    74    67    68    61    62    63  
   59    60    65    76    67    61    62    63  
   56    64    69    70    71    57    58  
   64    69    57  
   58    64  
    0  
   60    65    66    72    73    76    77    74    75    67    68    61    62    63  
   65    66    72    74    67    68    61  
   62    63    65    67    76  
   63  
    0  
   69    70    71  
   66    72    73    76    77    78    79    80    74    75    67    68  
   72    73    76    77    74    75    67  
   68    72    74  
    0  
   70    71  
   71  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.9000   0.1400  -1.312500   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   70   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   71   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   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   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
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    55   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    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    64   320.000  1.410
   64    69   325.000  1.672
   69    70   325.000  1.672
   69    71   325.000  1.672
   57    58   553.000  0.945
   51    52   553.000  0.945
   45    46   553.000  0.945
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    53   250.000  1.527
   47    76   320.000  1.380
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   300.000  1.468
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   340.000  1.090
   65    72   268.000  1.529
   65    74   320.000  1.410
   72    73   340.000  1.090
   72    76   320.000  1.410
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
   74    75   553.000  0.945
   67    68   553.000  0.945
   61    62   495.000  1.019
   61    63   495.000  1.019
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    55    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    55    49    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    64    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    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    55    58.35000  112.70000
   43    49    57    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    64    50.00000  109.50000
   49    57    58    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    64    69   100.00000  120.50000
   64    55    56    35.00000  109.50000
   64    69    70    45.00000  102.60000
   64    69    71    45.00000  102.60000
   71    69    70    35.00000   94.00000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    53    90.00000  108.56700
   42    47    76    92.60000  111.55000
   47    53    54    45.00000  108.72000
   47    53    59    75.00000  109.43000
   47    53    61    80.00000  112.76400
   47    76    72    60.00000  109.50000
   53    47    48    45.00000  112.01100
   53    59    60    37.50000  110.70000
   53    59    65    58.35000  112.70000
   53    59    67    50.00000  109.50000
   53    61    62    50.00000  110.30900
   53    61    63    50.00000  110.30900
   59    53    54    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    72    58.35000  112.70000
   59    65    74    50.00000  109.50000
   59    67    68    55.00000  108.50000
   65    59    60    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    76    50.00000  109.50000
   65    72    77    58.35000  112.70000
   65    74    75    55.00000  108.50000
   72    65    66    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    50.00000  109.50000
   76    47    48    35.00000  109.50000
   76    47    53    90.00000  108.56700
   76    72    73    35.00000  109.50000
   77    72    73    37.50000  110.70000
   77    72    76    50.00000  109.50000
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   74    65    66    35.00000  109.50000
   74    65    72    50.00000  109.50000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   61    53    54    50.00000  110.79000
   61    53    59    80.00000  112.76400
   63    61    62    40.00000  106.77200
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    55    49   0.44750  1.0 1.0
   29    33    55    49  -0.17800 -1.0 2.0
   29    33    55    49   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    64   0.56750  1.0 1.0
   29    33    55    64  -0.07550 -1.0 2.0
   29    33    55    64   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   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    55    64    69  -2.65550  1.0 1.0
   33    55    64    69  -0.22350 -1.0 2.0
   33    55    64    69   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    55    49   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    64   0.23400  1.0 3.0
   38    33    55    49   0.56750  1.0 1.0
   38    33    55    49  -0.07550 -1.0 2.0
   38    33    55    49   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    64   0.62750  1.0 1.0
   38    33    55    64  -0.30950 -1.0 2.0
   38    33    55    64   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    53   0.06250  1.0 1.0
   38    42    47    53  -0.01100 -1.0 2.0
   38    42    47    53   0.28050  1.0 3.0
   38    42    47    76  -0.53350  1.0 1.0
   38    42    47    76  -0.78350 -1.0 2.0
   38    42    47    76   0.33750  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    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    55   0.56750  1.0 1.0
   40    43    49    55  -0.07550 -1.0 2.0
   40    43    49    55   0.20000  1.0 3.0
   40    43    49    57   0.86500  1.0 1.0
   40    43    49    57  -0.17500 -1.0 2.0
   40    43    49    57   0.20800  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -55    33   0.56750  1.0 1.0
   43    49   -55    33  -0.07550 -1.0 2.0
   43    49   -55    33   0.20000  1.0 3.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    64   0.62750  1.0 1.0
   43    49    55    64  -0.30950 -1.0 2.0
   43    49    55    64   0.27300  1.0 3.0
   43    49    57    58  -0.11600  1.0 1.0
   43    49    57    58  -0.09450 -1.0 2.0
   43    49    57    58   0.21250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.15000  1.0 3.0
   44    43    49    57   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    55    64    69  -2.65550  1.0 1.0
   49    55    64    69  -0.22350 -1.0 2.0
   49    55    64    69   0.24150  1.0 3.0
   50    49    55    33   0.15000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    64   0.23400  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    49    57    58  -0.11600  1.0 1.0
   55    49    57    58  -0.09450 -1.0 2.0
   55    49    57    58   0.21250  1.0 3.0
   55    64    69    70   0.05050  1.0 1.0
   55    64    69    70  -1.30700 -1.0 2.0
   55    64    69    70   0.91550  1.0 3.0
   55    64    69    71   0.05050  1.0 1.0
   55    64    69    71  -1.30700 -1.0 2.0
   55    64    69    71   0.91550  1.0 3.0
   56    55    64    69   0.03000  1.0 3.0
   57    49    55    33   0.86500  1.0 1.0
   57    49    55    33  -0.17500 -1.0 2.0
   57    49    55    33   0.20800  1.0 3.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    64   3.69350  1.0 1.0
   57    49    55    64  -1.82950 -1.0 2.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    55   0.86500  1.0 1.0
   51    43    49    55  -0.17500 -1.0 2.0
   51    43    49    55   0.20800  1.0 3.0
   51    43    49    57   3.75450  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.86500  1.0 1.0
   45    40    43    49  -0.17500 -1.0 2.0
   45    40    43    49   0.20800  1.0 3.0
   45    40    43    51   3.75450  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   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    59   0.62750  1.0 1.0
   42    47    53    59  -0.30950 -1.0 2.0
   42    47    53    59   0.27300  1.0 3.0
   42    47    53    61   3.18800  1.0 1.0
   42    47    53    61  -1.12350 -1.0 2.0
   42    47    76    72  -0.81800  1.0 1.0
   47    53    59    60   0.15000  1.0 3.0
   47    53    59    65   3.97050  1.0 1.0
   47    53    59    67   0.86500  1.0 1.0
   47    53    59    67  -0.17500 -1.0 2.0
   47    53    59    67   0.20800  1.0 3.0
   47    53    61    62   0.21650  1.0 1.0
   47    53    61    62   0.26250 -1.0 2.0
   47    53    61    62   0.12450  1.0 3.0
   47    53    61    63   0.21650  1.0 1.0
   47    53    61    63   0.26250 -1.0 2.0
   47    53    61    63   0.12450  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    59   0.15000  1.0 3.0
   48    47    53    61   0.15000  1.0 3.0
   48    47    76    72   0.37050  1.0 3.0
   53    47    76    72   0.06250  1.0 1.0
   53    47    76    72  -0.01100 -1.0 2.0
   53    47    76    72   0.28050  1.0 3.0
   53    59    65    66   0.15000  1.0 3.0
   53    59   -65    72   0.56750  1.0 1.0
   53    59   -65    72  -0.07550 -1.0 2.0
   53    59   -65    72   0.20000  1.0 3.0
   53    59    65    74   0.86500  1.0 1.0
   53    59    65    74  -0.17500 -1.0 2.0
   53    59    65    74   0.20800  1.0 3.0
   53    59    67    68  -0.11600  1.0 1.0
   53    59    67    68  -0.09450 -1.0 2.0
   53    59    67    68   0.21250  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    65   0.15000  1.0 3.0
   54    53    59    67   0.23400  1.0 3.0
   54    53    61    62   0.20000  1.0 3.0
   54    53    61    63   0.20000  1.0 3.0
   59    53    61    62   0.21650  1.0 1.0
   59    53    61    62   0.26250 -1.0 2.0
   59    53    61    62   0.12450  1.0 3.0
   59    53    61    63   0.21650  1.0 1.0
   59    53    61    63   0.26250 -1.0 2.0
   59    53    61    63   0.12450  1.0 3.0
   59    65    72    73   0.15000  1.0 3.0
   59    65    72    76   0.62750  1.0 1.0
   59    65    72    76  -0.30950 -1.0 2.0
   59    65    72    76   0.27300  1.0 3.0
   59    65    72    77   0.56750  1.0 1.0
   59    65    72    77  -0.07550 -1.0 2.0
   59    65    72    77   0.20000  1.0 3.0
   59    65    74    75  -0.11600  1.0 1.0
   59    65    74    75  -0.09450 -1.0 2.0
   59    65    74    75   0.21250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    72   0.15000  1.0 3.0
   60    59    65    74   0.23400  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68  -0.11600  1.0 1.0
   65    59    67    68  -0.09450 -1.0 2.0
   65    59    67    68   0.21250  1.0 3.0
   65    72   -76    47   0.06250  1.0 1.0
   65    72   -76    47  -0.01100 -1.0 2.0
   65    72   -76    47   0.28050  1.0 3.0
   65    72    77    78   0.15000  1.0 3.0
   65    72    77    79   0.15000  1.0 3.0
   65    72    77    80   0.86500  1.0 1.0
   65    72    77    80  -0.17500 -1.0 2.0
   65    72    77    80   0.20800  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    76   0.23400  1.0 3.0
   66    65    72    77   0.15000  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   72    65    74    75  -0.11600  1.0 1.0
   72    65    74    75  -0.09450 -1.0 2.0
   72    65    74    75   0.21250  1.0 3.0
   72    77    80    81  -0.11600  1.0 1.0
   72    77    80    81  -0.09450 -1.0 2.0
   72    77    80    81   0.21250  1.0 3.0
   73    72    76    47   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    47    53    54   0.23400  1.0 3.0
   76    47   -53    59   0.62750  1.0 1.0
   76    47   -53    59  -0.30950 -1.0 2.0
   76    47   -53    59   0.27300  1.0 3.0
   76    47    53    61   3.18800  1.0 1.0
   76    47    53    61  -1.12350 -1.0 2.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   3.69350  1.0 1.0
   76    72    77    80  -1.82950 -1.0 2.0
   77    72    76    47   0.06250  1.0 1.0
   77    72    76    47  -0.01100 -1.0 2.0
   77    72    76    47   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    65    72    73   0.23400  1.0 3.0
   74    65    72    76   3.69350  1.0 1.0
   74    65    72    76  -1.82950 -1.0 2.0
   74    65    72    77   0.86500  1.0 1.0
   74    65    72    77  -0.17500 -1.0 2.0
   74    65    72    77   0.20800  1.0 3.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    72   0.86500  1.0 1.0
   67    59    65    72  -0.17500 -1.0 2.0
   67    59    65    72   0.20800  1.0 3.0
   67    59    65    74   3.75450  1.0 1.0
   61    53    59    60   0.15000  1.0 3.0
   61    53    59    65   1.85550  1.0 1.0
   61    53    59    65  -0.84100 -1.0 2.0
   61    53    59    67   5.28650  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
