* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    160    251     475
    1     0 S   NP   _N1_     1    28.63125    92.09612   -19.88759
    2     1 S   H    _HN1     2     1.02775    75.05950  -104.58466
    3     1 S   H    _H1_     3     1.02952   104.82996     0.87960
    4     1 S   H    _H2_     4     1.02834    35.85848    99.57018
    5     1 S   CT   _CA1     5     1.50187   138.61257   148.54255
    6     5 S   HC   _HA1     6     1.09573   105.18219    31.08415
    7     5 S   CO3  _C1_     7     1.53910   112.30728   -88.93106
    8     7 S   O2Z  _O11     8     1.26394   115.10216   -41.06244
    9     7 S   O2Z  _O12     9     1.26242   114.92581   137.85649
   10     5 S   CT   _CB1    10     1.53078   107.32605   148.91485
   11    10 S   HC   HB11    11     1.09818   109.45458   -49.26699
   12    10 S   HC   HB12    12     1.09799   110.25430    67.18790
   13    10 S   CT   _CG1    13     1.53059   112.85774  -170.43943
   14    13 S   HC   HG11    14     1.09578   110.16671   -59.40324
   15    13 S   HC   HG12    15     1.09592   110.35308    59.87908
   16    13 S   C    _CD1    16     1.51816   111.85658  -179.93147
   17    16 S   O    _OE1    17     1.22790   123.15522   -17.55439
   18    16 S   N    _N2_    18     1.38518   111.96531   162.17561
   19    18 S   H    _HN2    19     1.01562   119.19892     7.43949
   20    18 S   CT1  _CA2    20     1.45809   122.90616  -175.19348
   21    20 S   HC   _HA2    21     1.09616   108.53879    23.65375
   22    20 S   C    _C2_    22     1.52797   107.61743   -93.49944
   23    22 S   O    _O2_    23     1.22937   122.92081   -27.06108
   24    20 S   CT   _CB2    32     1.53365   112.09370   146.35012
   25    24 S   HC   HB21    33     1.09657   109.70169    61.43788
   26    24 S   HC   HB22    34     1.09554   111.40469   179.05788
   27    22 S   N    _N3_    24     1.38621   112.33517   155.84321
   28    27 S   H    _HN3    25     1.01488   119.75441     0.75069
   29    24 S   S    _SG2    35     1.82810   113.21381   -57.54180
   30    27 S   CT   _CA3    26     1.45446   122.82615   175.14393
   31    30 S   HC   HA31    27     1.09538   108.94547    30.41264
   32    30 S   HC   HA32    28     1.09478   107.17135   147.56567
   33    29 S   CT   _C5_    36     1.84327   100.46818   -76.34027
   34    33 S   HC   _H3_    37     1.09565   109.62476    11.52550
   35    30 S   CO3  _C3_    29     1.53067   113.61443   -92.56122
   36    35 S   O2Z  _O31    30     1.26375   115.83755   -30.06232
   37    35 S   O2Z  _O32    31     1.26414   114.66416   150.79339
   38    33 S   CT   _C6_    38     1.54929   110.17176   131.97590
   39    38 S   HC   _H4_    39     1.09817   108.98512    53.00351
   40    33 S   CT   _C4_    81     1.53192   106.52252  -105.37144
   41    40 S   HC   _H8_    82     1.09611   111.75025   -65.54386
   42    40 S   HC   _H9_    83     1.09520   111.04438   174.44064
   43    40 S   HC   _H10    84     1.09618   111.44789    55.89821
   44    38 S   CO4  _C20    40     1.51958   109.88971   171.64501
   45    44 S   O    _O36    41     1.22337   124.82566    65.38429
   46    38 S   CT   _C7_    67     1.54428   112.73613   -68.23782
   47    46 S   HC   _H11    68     1.09282   110.12226    58.27155
   48    46 S   HC   _H12    69     1.09940   108.47710   -55.75449
   49    44 S   OS   _O35    42     1.36169   109.12457  -116.02647
   50    49 S   CT   _C17    43     1.43779   117.14422  -169.15594
   51    50 S   HC   _H7_    44     1.09597   109.73277    43.84264
   52    50 S   CT   _C18    45     1.52476   110.57816   -81.28593
   53    52 S   HC   _H20    46     1.09638   110.33577   168.27271
   54    52 S   HC   _H21    47     1.09339   113.67670    45.97350
   55    52 S   CT   _C19    48     1.51789   103.22075   -74.03265
   56    55 S   HC   _H22    49     1.09468   111.46000    78.51956
   57    55 S   HC   _H23    50     1.09302   113.64021  -155.83329
   58    55 S   NP   _N4_    51     1.50495   103.47021   -38.41929
   59    58 S   H    _H5_    52     1.02917   108.99514   -97.53876
   60    58 S   CT   _C15    53     1.51208   117.11894   138.63151
   61    60 S   HC   _H18    54     1.09357   107.16208   113.42833
   62    60 S   HC   _H19    55     1.09351   109.60075    -6.36359
   63    60 S   CM   _C14    56     1.49106   105.88552  -126.81980
   64    63 S   HC   _H17    57     1.08111   123.27757  -174.92959
   65    63 S   CM   _C13    58     1.34083   112.04734     4.81100
   66    65 S   CT   _C12    59     1.49084   125.96324  -177.24068
   67    66 S   HC   _H15    60     1.09724   111.78589    10.54305
   68    66 S   HC   _H16    61     1.09555   109.37408   127.79009
   69    50 S   CT   _C16    79     1.53491   109.48113   165.85887
   70    69 S   HC   _H6_    80     1.09644   111.12922  -159.97392
   71    66 S   OS   _O34    62     1.43874   112.44405  -113.46809
   72    71 S   CO4  _C11    63     1.36902   116.69686    85.44886
   73    72 S   O    _O33    64     1.22595   125.02238   -10.79219
   74    72 S   CT   _C10    65     1.53503   111.14319   166.21238
   75    74 S   CM   _C8_    66     1.52724   111.44917    56.64609
   76    74 S   CT   _C21    73     1.53862   107.91901   -70.31445
   77    76 S   HC   _H24    74     1.09712   110.75059   -60.39171
   78    76 S   HC   _H25    75     1.09623   110.95823  -178.35861
   79    76 S   HC   _H26    76     1.09496   112.77462    59.35181
   80    74 S   OH   _O37    77     1.42979   107.78089   175.00955
   81    80 S   HO   _H27    78     0.97330   108.88558    69.43304
   82    75 S   CM   _C9_    70     1.34671   123.00283   -97.45953
   83    82 S   HC   _H13    71     1.08350   122.63960     2.50171
   84    82 S   HC   _H14    72     1.08597   121.27749  -178.30303
  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
  14   8   2   1   1  15   8   5   2   1   1  10   3  11   4   3
  10  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3
   7   8   4   3   2   1   6  10   4  10   9   6   3   2   1   2
   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    75    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    74    75    46    47    48    82    40    41    42    43  
   44    45    49    75    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    75    46    47    48    69  
   49    50    46  
   47    48    82    83    84    76    80    49    72    74    75  
   48    82    74    75  
   82    74    75  
   50    51    52    53    54    55    58    65    69    70  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    70  
   52    53    54    55    58    65    69    70  
   53    54    55    56    57    58    59    60    65    69    70  
   54    55    56    57    58    69  
   55    56    57    58    69  
   56    57    58    59    60    61    62    63    65    69    70  
   57    58    59    60    69  
   58    59    60    69  
   59    60    61    62    63    64    65    66    69    70  
   60    61    62    63    65    69    70  
   61    62    63    64    65    66    69    70  
   62    63    64    65    69  
   63    64    65    69  
   64    65    66    67    68    71    69    70  
   65    66    69  
   66    67    68    71    72    69    70  
   67    68    71    72    73    74    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75    76    80  
   73    74    75    82    76    77    78    79    80    81  
   74    75    76    80  
   75    82    83    84    76    77    78    79    80    81  
   82    83    84    76    77    78    79    80    81  
   77    78    79    80    81    82  
   78    79    80  
   79    80  
   80  
   81    82  
    0  
   83    84  
   84  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   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    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    69   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   317.000  1.510
   74    76   268.000  1.529
   74    80   320.000  1.410
   75    46   317.000  1.510
   75    82   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   82    83   340.000  1.080
   82    84   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   553.000  0.945
   69    70   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    75    70.00000  112.02700
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    69    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    69    58    80.00000  111.20000
   50    69    65    70.00000  112.02700
   50    69    70    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    69    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    75.00000  110.06800
   58    69    65    75.00000  110.06800
   58    69    70    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    69    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    71    85.00000  110.90400
   65    69    70    35.00000  109.50000
   66    71    72    83.00000  116.90000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    70.00000  109.06800
   72    74    76    63.00000  111.10000
   72    74    80    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    75    46    65.00000  117.92700
   74    75    82    70.00000  124.00000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    37.50000  110.70000
   74    80    81    55.00000  108.50000
   75    46    47    35.00000  109.50000
   75    46    48    35.00000  109.50000
   75    82    83    35.00000  120.00000
   75    82    84    35.00000  120.00000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   82    75    46    70.00000  124.00000
   84    82    83    35.00000  117.00000
   76    74    75    70.00000  112.02700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    74    75    90.00000  110.39200
   80    74    76    50.00000  109.50000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    58    59    35.00000  109.50000
   69    58    60    75.00000  113.01200
   69    65    66    65.00000  117.92700
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    75   0.34400  1.0 1.0
   33    38    46    75   0.09450 -1.0 2.0
   33    38    46    75   0.11100  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    75   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    75  -0.98800  1.0 1.0
   44    38    46    75   0.48800 -1.0 2.0
   44    38    46    75   0.76800  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    69  -0.25900  1.0 1.0
   44    49    50    69  -0.47000 -1.0 2.0
   44    49    50    69   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    69    58   1.69300  1.0 1.0
   49    50    69    58  -0.48450 -1.0 2.0
   49    50    69    65   0.61850  1.0 1.0
   49    50    69    65  -0.22750 -1.0 2.0
   49    50    69    65   0.15300  1.0 3.0
   49    50    69    70   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    69    58   0.19200  1.0 3.0
   51    50    69    65   0.15000  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   52    50   -69    58   1.36600  1.0 1.0
   52    50   -69    58  -0.11450 -1.0 2.0
   52    50   -69    58   0.24250  1.0 3.0
   52    50    69    65   0.34400  1.0 1.0
   52    50    69    65   0.09450 -1.0 2.0
   52    50    69    65   0.11100  1.0 3.0
   52    50    69    70   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    69   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.08000 -1.0 2.0
   55    58   -69    50   0.47100  1.0 1.0
   55    58    69    65   0.08000 -1.0 2.0
   55    58    69    70   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    69   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    69   0.15000  1.0 3.0
   58    60    63    64   0.00000  1.0 1.0
   58    60   -63    65   0.80850  1.0 1.0
   58    60   -63    65  -0.47300 -1.0 2.0
   58    60   -63    65  -0.52300  1.0 3.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    69    50   0.17350  1.0 3.0
   59    58    69    65   0.17350  1.0 3.0
   59    58    69    70   0.13050  1.0 3.0
   60    58    69    50   0.47100  1.0 1.0
   60    58   -69    65   0.08000 -1.0 2.0
   60    58    69    70   0.15000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63   -65    69   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    71   0.39000  1.0 1.0
   63    65    66    71  -0.05800 -1.0 2.0
   63    65    66    71  -0.55150  1.0 3.0
   63    65    69    50   0.09850  1.0 1.0
   63    65    69    50   0.15250 -1.0 2.0
   63    65    69    50  -0.50650  1.0 3.0
   63    65   -69    58   0.80850  1.0 1.0
   63    65   -69    58  -0.47300 -1.0 2.0
   63    65   -69    58  -0.52300  1.0 3.0
   63    65    69    70   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    69   7.00000 -1.0 2.0
   65    66    71    72  -0.82050  1.0 1.0
   65    66    71    72   0.00600 -1.0 2.0
   65    66    71    72   0.04400  1.0 3.0
   66    65    69    50   0.46850  1.0 1.0
   66    65    69    50   0.08550 -1.0 2.0
   66    65    69    50   0.09800  1.0 3.0
   66    65    69    58   0.52100  1.0 1.0
   66    65    69    58  -0.20350 -1.0 2.0
   66    65    69    58   0.29750  1.0 3.0
   66    65    69    70   0.34800  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   1.63150  1.0 1.0
   66    71    72    74   2.92000 -1.0 2.0
   67    66    71    72   0.08050  1.0 3.0
   68    66    71    72   0.08050  1.0 3.0
   71    72    74    75   0.40000  1.0 3.0
   71    72    74    76   0.36750  1.0 3.0
   71    72    74    80   0.30750  1.0 1.0
   71    72    74    80   1.13850 -1.0 2.0
   71    72    74    80   0.38850  1.0 3.0
   72    74    75    46   0.17250  1.0 1.0
   72    74    75    46  -0.04100 -1.0 2.0
   72    74    75    46  -0.33850  1.0 3.0
   72    74    75    82  -0.51250  1.0 1.0
   72    74    75    82  -0.88800 -1.0 2.0
   72    74    75    82   0.08850  1.0 3.0
   72    74    76    77  -0.11250  1.0 3.0
   72    74    76    78  -0.11250  1.0 3.0
   72    74    76    79  -0.11250  1.0 3.0
   72    74    80    81   0.91850  1.0 1.0
   72    74    80    81   0.57950  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    76   0.30150 -1.0 2.0
   73    72    74    80   0.30150 -1.0 2.0
   74    75    46    38   0.46850  1.0 1.0
   74    75    46    38   0.08550 -1.0 2.0
   74    75    46    38   0.09800  1.0 3.0
   74    75    46    47   0.34800  1.0 3.0
   74    75    46    48   0.34800  1.0 3.0
   74    75    82    83   7.00000 -1.0 2.0
   74    75    82    84   7.00000 -1.0 2.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    76    79   0.15000  1.0 3.0
   75    74    80    81  -0.07800  1.0 1.0
   75    74    80    81  -0.21500 -1.0 2.0
   75    74    80    81  -0.03150  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    75    82    83   7.00000 -1.0 2.0
   46    75    82    84   7.00000 -1.0 2.0
   82    75    46    38   0.09850  1.0 1.0
   82    75    46    38   0.15250 -1.0 2.0
   82    75    46    38  -0.50650  1.0 3.0
   82    75    46    47   0.00000  1.0 1.0
   82    75    46    48   0.00000  1.0 1.0
   76    74    75    46   0.46850  1.0 1.0
   76    74    75    46   0.08550 -1.0 2.0
   76    74    75    46   0.09800  1.0 3.0
   76    74    75    82   0.09850  1.0 1.0
   76    74    75    82   0.15250 -1.0 2.0
   76    74    75    82  -0.50650  1.0 3.0
   76    74    80    81  -0.11600  1.0 1.0
   76    74    80    81  -0.09450 -1.0 2.0
   76    74    80    81   0.21250  1.0 3.0
   80    74    75    46   0.18000  1.0 1.0
   80    74    75    46   0.16450 -1.0 2.0
   80    74    75    46   0.04450  1.0 3.0
   80    74    75    82   0.67800  1.0 1.0
   80    74    75    82   0.47050 -1.0 2.0
   80    74    75    82  -0.62500  1.0 3.0
   80    74    76    77   0.23400  1.0 3.0
   80    74    76    78   0.23400  1.0 3.0
   80    74    76    79   0.23400  1.0 3.0
   69    50    52    53   0.15000  1.0 3.0
   69    50    52    54   0.15000  1.0 3.0
   69    50   -52    55   0.56750  1.0 1.0
   69    50   -52    55  -0.07550 -1.0 2.0
   69    50   -52    55   0.20000  1.0 3.0
   69    58    60    61   0.15000  1.0 3.0
   69    58    60    62   0.15000  1.0 3.0
   69    58   -60    63   0.08000 -1.0 2.0
   69    65    66    67   0.34800  1.0 3.0
   69    65    66    68   0.34800  1.0 3.0
   69    65    66    71   0.09700  1.0 1.0
   69    65    66    71   0.15600 -1.0 2.0
   69    65    66    71  -0.50800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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
   38    49    44    45  10.50000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    69    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   74    46    75    82   1.10000 -1.0 2.0
   83    84    82    75   1.10000 -1.0 2.0
END
