* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    249     480
    1     0 S   NP   _N1_     1    29.05310    95.48308   -18.66772
    2     1 S   H    _HN1     2     1.02961    94.03501    26.62548
    3     1 S   H    _H1_     3     1.02840    44.16915   137.03816
    4     1 S   H    _H2_     4     1.02779    72.61134   -81.32788
    5     1 S   CT   _CA1     5     1.50103   150.77037   174.02453
    6     5 S   HC   _HA1     6     1.09563   105.29990    32.63039
    7     5 S   CO3  _C1_     7     1.53847   112.30781   -87.79092
    8     7 S   O2Z  _O11     8     1.26362   114.99755   -44.39073
    9     7 S   O2Z  _O12     9     1.26230   114.94597   134.86147
   10     5 S   CT   _CB1    10     1.53085   107.45948   150.73261
   11    10 S   HC   HB11    11     1.09818   109.59559   -49.08186
   12    10 S   HC   HB12    12     1.09831   110.30203    67.52515
   13    10 S   CT   _CG1    13     1.53013   112.60460  -170.13975
   14    13 S   HC   HG11    14     1.09553   110.43489   -58.01262
   15    13 S   HC   HG12    15     1.09622   110.14991    61.10852
   16    13 S   C    _CD1    16     1.51793   112.06884  -178.64824
   17    16 S   O    _OE1    17     1.22725   123.15258   -12.53281
   18    16 S   N    _N2_    18     1.38556   111.68694   167.98779
   19    18 S   H    _HN2    19     1.01580   119.05856     1.55796
   20    18 S   CT1  _CA2    20     1.46218   123.46353  -177.54122
   21    20 S   HC   _HA2    21     1.09730   109.39884   -12.88577
   22    20 S   C    _C2_    22     1.53412   108.28157  -128.57773
   23    22 S   O    _O2_    23     1.23007   122.30992  -145.73770
   24    20 S   CT   _CB2    32     1.53426   111.22816   109.19928
   25    24 S   HC   HB21    33     1.09500   109.80794    56.01056
   26    24 S   HC   HB22    34     1.09521   110.55679   174.00377
   27    22 S   N    _N3_    24     1.38539   113.33439    41.65754
   28    27 S   H    _HN3    25     1.01525   118.88689    -0.59479
   29    24 S   S    _SG2    35     1.83030   111.66726   -67.27934
   30    27 S   CT   _CA3    26     1.45449   123.45595   175.10231
   31    30 S   HC   HA31    27     1.09523   109.23774    24.33236
   32    30 S   HC   HA32    28     1.09495   107.11853   141.33764
   33    29 S   CT   _C11    36     1.86618   100.59763   137.07770
   34    33 S   HC   _H4_    37     1.10221   104.06877    30.13058
   35    30 S   CO3  _C3_    29     1.52927   113.12812   -99.14650
   36    35 S   O2Z  _O31    30     1.26402   115.41182   -44.16082
   37    35 S   O2Z  _O32    31     1.26356   114.97759   136.77978
   38    33 S   CT   _C12    38     1.55947   107.91515   -78.65908
   39    38 S   HC   _H17    39     1.09650   109.07267   165.35192
   40    38 S   HC   _H18    40     1.09898   108.50946    54.17286
   41    33 S   CT   _C10    63     1.62546   114.01963   144.51807
   42    41 S   OM   _O39    64     1.33700   103.97897   -75.32247
   43    38 S   CT   _C13    41     1.53475   119.91246   -68.18164
   44    43 S   HC   _H19    42     1.09812   108.54774  -178.79374
   45    43 S   HC   _H20    43     1.09526   110.72963    66.40266
   46    41 S   CO   _C22    65     1.58834   115.28376    39.46725
   47    46 S   HC   _H7_    66     1.09304   112.44503   -35.19514
   48    43 S   CM   _C14    44     1.49889   111.90727   -57.80080
   49    46 S   OS   _O37    67     1.42023   114.26666    89.30073
   50    46 S   OH   _O38    71     1.44318   111.76153  -150.88185
   51    50 S   HO   _H26    72     0.97400   106.61186    -9.33353
   52    48 S   CM   _C15    45     1.34963   120.22537   -76.14639
   53    52 S   HC   _H21    46     1.08879   118.71815    -6.62726
   54    48 S   CT   _C21    68     1.49977   114.99898    96.39523
   55    54 S   HC   _H24    69     1.09529   113.37248     6.14484
   56    54 S   HC   _H25    70     1.09635   108.47568   123.41629
   57    52 S   CT   _C16    47     1.49970   124.74753   162.88890
   58    57 S   HC   _H5_    48     1.09628   111.42952    20.70973
   59    57 S   CT   _C17    49     1.53646   113.53301  -106.15781
   60    59 S   HC   _H6_    50     1.10159   110.09705   -50.71285
   61    59 S   CM   _C18    51     1.50093    96.55420  -159.52009
   62    59 S   CT   _C8_    58     1.55833   116.41215    72.28312
   63    62 S   HC   _H3_    59     1.09086   109.18154    56.79421
   64    61 S   CO4  _C20    52     1.48637   107.08289    33.04434
   65    64 S   O    _O35    53     1.21726   127.23642   163.56847
   66    61 S   CM   _C19    55     1.33540   132.48421  -143.85277
   67    66 S   HC   _H22    56     1.08237   122.07563    -1.40249
   68    66 S   HC   _H23    57     1.08575   121.39300   178.28628
   69    62 S   CT   _C9_    60     1.56257   112.22020   -71.12059
   70    69 S   HC   _H15    61     1.10388   108.14217  -112.06596
   71    69 S   HC   _H16    62     1.08706   106.56822    -4.25280
   72    62 S   OS   _O34    73     1.45691   106.25819   174.27258
   73    57 S   OS   _O36    54     1.43864   109.82249   137.35031
   74    72 S   CO4  _C7_    74     1.36581   117.63965  -150.17321
   75    74 S   O    _O33    75     1.22312   125.98550     3.29824
   76    74 S   CT   _C5_    76     1.51796   109.23428  -176.47563
   77    76 S   HC   _H11    77     1.09713   107.92411   -41.68223
   78    76 S   CT   _C4_    78     1.52409   109.60166    77.87294
   79    78 S   HC   _H8_    79     1.09577   111.23362    59.99042
   80    78 S   HC   _H9_    80     1.09541   111.01750   -59.49407
   81    78 S   HC   _H10    81     1.09485   110.93204  -179.47177
   82    76 S   CT   _C6_    82     1.52619   110.78480  -159.27413
   83    82 S   HC   _H12    83     1.09571   111.48736   -63.02473
   84    82 S   HC   _H13    84     1.09498   110.79805   176.60904
   85    82 S   HC   _H14    85     1.09551   110.78887    56.73908
  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
  18   8   2   1   1  12   6   5  15   8  10   4   3  12   5  10
   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5   5
   2   3   1   1   4   2   1   6   1  11   4   9   8   7   3   2
   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    69    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    48    62    69    70    71    41    42    46    47    49    50  
   38    39    40    43    69    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    48    52    69    41    42    46    54  
   40    43    44    45    48    41  
   43    44    45    48    41  
   42    46    47    49    54    50    51    72    43    59    62    63    69    70    71  
   46    47    49    50    62    69    70    71  
   44    45    48    52    53    57    49    54    55    56  
   45    48    52    54  
   48    52    54  
   47    49    54    55    56    50    51    48    62    69    70    71  
   49    54    50    51    69  
   52    53    57    58    59    73    49    54    55    56  
   54    55    56    50    51    52    69  
   51    54    69  
    0  
   53    57    58    59    60    61    64    73    62    54    55    56  
   57    58    59    73    54  
   55    56    57  
   56  
    0  
   58    59    60    61    64    65    73    66    62    63    69    72  
   59    60    61    64    73    62  
   60    61    64    65    73    66    67    68    62    63    69    70    71    72    74  
   61    64    73    66    62    63    69    72  
   64    65    73    66    67    68    62    63    69    72  
   63    69    70    71    72    74    75    76    64    66    73  
   69    70    71    72    74  
   65    73    66    67    68  
   73    66  
   67    68    73  
   68  
    0  
   70    71    72    74  
   71    72  
   72  
   74    75    76    77    78    82  
    0  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    52   549.000  1.340
   48    54   317.000  1.510
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    73   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    73   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    69   268.000  1.529
   62    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    41   268.000  1.529
   41    42   570.000  1.307
   41    46   250.000  1.527
   46    47   340.000  1.090
   46    49   320.000  1.380
   46    50   380.000  1.407
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   50    51   553.000  0.945
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    69    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    75.00000  109.43000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    48    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    52    70.00000  124.00000
   43    48    54    65.00000  117.92700
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   48    54    49    85.00000  110.90400
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    70.00000  112.02700
   52    57    73    85.00000  110.90400
   57    52    53    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    61    70.00000  112.02700
   57    59    62    58.35000  112.70000
   57    73    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    69    58.35000  112.70000
   59    62    72    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    73    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   73    57    58    35.00000  109.50000
   73    57    59    50.00000  109.50000
   73    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    41    58.35000  112.70000
   62    72    74    83.00000  116.90000
   69    62    63    37.50000  110.70000
   69    41    42    50.00000  109.50000
   69    41    46    75.00000  109.43000
   71    69    70    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    69    71    37.50000  110.70000
   41    46    47    45.00000  112.01100
   41    46    49    90.00000  108.56700
   41    46    50    90.00000  110.19100
   46    41    42    90.00000  109.38000
   46    49    54    60.00000  109.50000
   46    50    51    70.00000  107.92000
   49    46    47    35.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    48    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   50    46    47    60.00000  108.02500
   50    46    49   110.00000  112.08000
   72    62    63    35.00000  109.50000
   72    62    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    63.00000  111.10000
   74    76    82    63.00000  111.10000
   76    74    75    80.00000  120.40000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    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    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    69   0.44750  1.0 1.0
   29    33    41    69  -0.17800 -1.0 2.0
   29    33    41    69   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    48   0.34400  1.0 1.0
   33    38    43    48   0.09450 -1.0 2.0
   33    38    43    48   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    49   0.62750  1.0 1.0
   33    41    46    49  -0.30950 -1.0 2.0
   33    41    46    49   0.27300  1.0 3.0
   33    41    46    50   0.86500  1.0 1.0
   33    41    46    50  -0.17500 -1.0 2.0
   33    41    46    50   0.20800  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    43   0.15000  1.0 3.0
   34    33    41    69   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    69   0.56750  1.0 1.0
   38    33    41    69  -0.07550 -1.0 2.0
   38    33    41    69   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   3.97050  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   38    43    48    54   0.46850  1.0 1.0
   38    43    48    54   0.08550 -1.0 2.0
   38    43    48    54   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   43    48    52    53   7.00000 -1.0 2.0
   43    48    52    57   7.00000 -1.0 2.0
   43    48    54    49   0.09700  1.0 1.0
   43    48    54    49   0.15600 -1.0 2.0
   43    48    54    49  -0.50800  1.0 3.0
   43    48    54    55   0.34800  1.0 3.0
   43    48    54    56   0.34800  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    54   0.34800  1.0 3.0
   45    43    48    52   0.00000  1.0 1.0
   45    43    48    54   0.34800  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.09850  1.0 1.0
   48    52    57    59   0.15250 -1.0 2.0
   48    52    57    59  -0.50650  1.0 3.0
   48    52    57    73   0.39000  1.0 1.0
   48    52    57    73  -0.05800 -1.0 2.0
   48    52    57    73  -0.55150  1.0 3.0
   52    48    54    49   0.39000  1.0 1.0
   52    48    54    49  -0.05800 -1.0 2.0
   52    48    54    49  -0.55150  1.0 3.0
   52    48    54    55   0.00000  1.0 1.0
   52    48    54    56   0.00000  1.0 1.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    61   0.31000  1.0 1.0
   52    57    59    61   0.14700 -1.0 2.0
   52    57    59    61   0.07550  1.0 3.0
   52    57    59    62   0.34400  1.0 1.0
   52    57    59    62   0.09450 -1.0 2.0
   52    57    59    62   0.11100  1.0 3.0
   52    57    73    64  -0.82050  1.0 1.0
   52    57    73    64   0.00600 -1.0 2.0
   52    57    73    64   0.04400  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    73   0.00000  1.0 1.0
   57    59   -61    64   0.09700  1.0 1.0
   57    59   -61    64   0.15600 -1.0 2.0
   57    59   -61    64  -0.50800  1.0 3.0
   57    59    61    66   0.09850  1.0 1.0
   57    59    61    66   0.15250 -1.0 2.0
   57    59    61    66  -0.50650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    69   0.56750  1.0 1.0
   57    59    62    69  -0.07550 -1.0 2.0
   57    59    62    69   0.20000  1.0 3.0
   57    59    62    72   0.62750  1.0 1.0
   57    59    62    72  -0.30950 -1.0 2.0
   57    59    62    72   0.27300  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    73    64   0.08050  1.0 3.0
   59    57   -73    64  -0.25900  1.0 1.0
   59    57   -73    64  -0.47000 -1.0 2.0
   59    57   -73    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    73  -0.15000  1.0 1.0
   59    61   -64    73   0.89550 -1.0 2.0
   59    61   -64    73  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    69    70   0.15000  1.0 3.0
   59    62    69    71   0.15000  1.0 3.0
   59    62    69    41   0.56750  1.0 1.0
   59    62    69    41  -0.07550 -1.0 2.0
   59    62    69    41   0.20000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    69   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    69   0.34400  1.0 1.0
   61    59    62    69   0.09450 -1.0 2.0
   61    59    62    69   0.11100  1.0 3.0
   61    59    62    72   0.61850  1.0 1.0
   61    59    62    72  -0.22750 -1.0 2.0
   61    59    62    72   0.15300  1.0 3.0
   61    64   -73    57   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    73    57   3.00000 -1.0 2.0
   73    57    59    60   0.23400  1.0 3.0
   73    57   -59    61   0.61850  1.0 1.0
   73    57   -59    61  -0.22750 -1.0 2.0
   73    57   -59    61   0.15300  1.0 3.0
   73    57    59    62   0.62750  1.0 1.0
   73    57    59    62  -0.30950 -1.0 2.0
   73    57    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    73  -0.56150  1.0 1.0
   66    61    64    73   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   62    69    41    33   0.56750  1.0 1.0
   62    69    41    33  -0.07550 -1.0 2.0
   62    69    41    33   0.20000  1.0 3.0
   62    69    41    42   0.62750  1.0 1.0
   62    69    41    42  -0.30950 -1.0 2.0
   62    69    41    42   0.27300  1.0 3.0
   62    69    41    46   3.97050  1.0 1.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    76   1.63150  1.0 1.0
   62    72    74    76   2.92000 -1.0 2.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    41   0.15000  1.0 3.0
   63    62    72    74   0.08050  1.0 3.0
   69    62    72    74  -0.25900  1.0 1.0
   69    62    72    74  -0.47000 -1.0 2.0
   69    62    72    74   0.11750  1.0 3.0
   69    41    46    47   0.15000  1.0 3.0
   69    41    46    49   0.62750  1.0 1.0
   69    41    46    49  -0.30950 -1.0 2.0
   69    41    46    49   0.27300  1.0 3.0
   69    41    46    50   0.86500  1.0 1.0
   69    41    46    50  -0.17500 -1.0 2.0
   69    41    46    50   0.20800  1.0 3.0
   70    69    41    33   0.15000  1.0 3.0
   70    69    41    42   0.23400  1.0 3.0
   70    69    41    46   0.15000  1.0 3.0
   71    69    41    33   0.15000  1.0 3.0
   71    69    41    42   0.23400  1.0 3.0
   71    69    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    49    54   0.06250  1.0 1.0
   41    46    49    54  -0.01100 -1.0 2.0
   41    46    49    54   0.28050  1.0 3.0
   41    46    50    51  -0.11600  1.0 1.0
   41    46    50    51  -0.09450 -1.0 2.0
   41    46    50    51   0.21250  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    49   1.11900  1.0 1.0
   42    41    46    49  -1.16350 -1.0 2.0
   42    41    46    49  -0.34150  1.0 3.0
   42    41    46    50   3.69350  1.0 1.0
   42    41    46    50  -1.82950 -1.0 2.0
   46    49    54    48  -0.77900  1.0 1.0
   46    49    54    48  -0.36900 -1.0 2.0
   46    49    54    48   0.40400  1.0 3.0
   46    49    54    55   0.37050  1.0 3.0
   46    49    54    56   0.37050  1.0 3.0
   47    46    49    54   0.37050  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   49    46    50    51  -0.50000  1.0 1.0
   49    46    50    51  -0.73950 -1.0 2.0
   49    46    50    51   0.17150  1.0 3.0
   54    48    52    53   7.00000 -1.0 2.0
   54    48    52    57   7.00000 -1.0 2.0
   50    46    49    54  -0.70900  1.0 1.0
   50    46    49    54  -1.18000 -1.0 2.0
   50    46    49    54   0.91650  1.0 3.0
   72    62    69    70   0.23400  1.0 3.0
   72    62    69    71   0.23400  1.0 3.0
   72    62    69    41   0.62750  1.0 1.0
   72    62    69    41  -0.30950 -1.0 2.0
   72    62    69    41   0.27300  1.0 3.0
   72    74    76    77   0.00000  1.0 1.0
   72    74    76    78   0.36750  1.0 3.0
   72    74    76    82   0.36750  1.0 3.0
   74    76    78    79  -0.11250  1.0 3.0
   74    76    78    80  -0.11250  1.0 3.0
   74    76    78    81  -0.11250  1.0 3.0
   74    76    82    83  -0.11250  1.0 3.0
   74    76    82    84  -0.11250  1.0 3.0
   74    76    82    85  -0.11250  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.30150 -1.0 2.0
   75    74    76    82   0.30150 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    76    78    79   0.15000  1.0 3.0
   82    76    78    80   0.15000  1.0 3.0
   82    76    78    81   0.15000  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
   43    54    48    52   1.10000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    73    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
END
