* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    159    245     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02137    89.77347   -69.48820
    3     1 S   H    _H1_     3     1.02098    90.78728    39.15793
    4     1 S   H    _H2_     4     1.02135    32.83855   163.90740
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.81483    98.37121   -78.13799
   34    33 S   HC   _H23    37     1.09581   108.82351    58.65946
   35    33 S   HC   _H24    38     1.09470   108.45535   -56.15971
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C5_    39     1.51747   110.78375   180.00000
   40    39 S   CMA  _C6_    40     1.36615   123.39471   -90.48996
   41    40 S   OM   _O33    41     1.27009   125.54494    -1.78191
   42    39 S   CT   _C4_    80     1.51601   113.28517    87.87182
   43    42 S   HC   _H8_    81     1.09560   110.01444   -88.37028
   44    42 S   HC   _H9_    82     1.09521   110.40715    31.16663
   45    42 S   HC   _H10    83     1.09412   113.56779   151.43288
   46    40 S   OS   _O34    42     1.41651   111.16219   179.87489
   47    46 S   CT   _C7_    43     1.43948   113.52169  -149.98379
   48    47 S   HC   _H3_    44     1.10070   106.31831   -40.02848
   49    47 S   CT   _C8_    45     1.54620   103.18268    77.17044
   50    49 S   HC   _H11    46     1.09954   108.08538   -38.43811
   51    49 S   HC   _H12    47     1.09848   108.06379    73.45317
   52    47 S   CT   _C16    62     1.55436   108.51467  -158.11771
   53    52 S   HC   _H6_    63     1.10055   108.32976   -73.07340
   54    49 S   C3T  _C9_    48     1.51260   119.57407  -159.56794
   55    52 S   CM   _C17    64     1.50866   118.89577    47.60030
   56    54 S   C3T  _C10    49     1.53878   116.51381  -122.08694
   57    56 S   HC   _H4_    50     1.08309   119.09716     5.97658
   58    55 S   CO4  _C19    65     1.48273   108.06295   155.49298
   59    58 S   O    _O36    66     1.21723   127.59031   163.84742
   60    55 S   CM   _C18    68     1.33655   133.35302   -21.47940
   61    60 S   HC   _H18    69     1.08210   120.66429    -3.27787
   62    60 S   HC   _H19    70     1.08356   120.64192   176.73745
   63    54 S   CO   _C21    75     1.51945   119.96665    43.66429
   64    63 S   HC   _H7_    76     1.11668   110.60809   166.95555
   65    56 S   CT   _C11    51     1.49832   121.36648   154.33561
   66    65 S   HC   _H13    52     1.09629   109.19824   160.19742
   67    65 S   HC   _H14    53     1.09504   111.59772    43.43567
   68    81 S   OS   _O37    67     1.44272   107.41450   129.54467
   69    63 S   OH   _O39    77     1.43075   110.86664    50.68860
   70    69 S   HO   _H22    78     0.96857   106.26560  -179.96574
   71    54 S   O3T  _O35    79     1.45269   112.56260   175.32178
   72    65 S   CT   _C12    54     1.53878   110.90052   -79.60959
   73    72 S   HC   _H15    55     1.09731   108.63715   -77.96170
   74    72 S   HC   _H16    56     1.09624   110.39535   166.17402
   75    72 S   CM   _C13    57     1.51376   110.95539    43.33631
   76    75 S   CM   _C14    58     1.34778   119.37944  -100.86899
   77    76 S   HC   _H17    59     1.08901   118.67439    -6.45753
   78    75 S   CT   _C20    71     1.50966   116.07603    69.11743
   79    78 S   HC   _H20    72     1.09547   112.10504     8.39602
   80    78 S   HC   _H21    73     1.09574   109.05659   125.75016
   81    76 S   CT   _C15    60     1.49471   125.66650   168.16835
   82    81 S   HC   _H5_    61     1.09571   111.66814    13.82497
   83    78 S   OS   _O38    74     1.43074   112.03299  -115.22580
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  17   8
  15   6   5  14   7  13   9  13   6   8   3   4   1   1  10   5
   9   6   5   5   4   1   2  10   4   3   8   7   3   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    81    52    53    55  
   48    49    50    51    54    56    76    81    82    52    53    55    58    68    60    63    71  
   49    50    51    54    81    52    53    55  
   50    51    54    56    57    65    81    52    53    55    83    63    64    69    71  
   51    54    56    52    63    71  
   54    56    52    63    71  
   53    55    58    59    68    60    61    62    54    75    76    77    81    82  
   55    58    68    60    76    81    82  
   56    57    65    66    67    72    78    83    63    64    69    70    71  
   58    59    68    60    61    62    76    81    82  
   57    65    66    67    72    73    74    75    83    63    64    69    71  
   65    66    67    72    63    71  
   59    68    60    61    62    76    81    82  
   68    60    81  
   61    62    68    81  
   62  
    0  
   64    69    70    71    65    75    78    79    80    83  
   69    70    71    78    83  
   66    67    72    73    74    75    76    78    71  
   67    72    73    74    75    71  
   72    73    74    75    71  
   75    76    77    81    82  
   70    71    78    83  
   83  
   72    83  
   73    74    75    76    77    81    78    79    80    83  
   74    75    76    78  
   75    76    78  
   76    77    81    82    78    79    80    83  
   77    81    82    78    79    80    83  
   81    82    78  
   79    80    83    81  
   80    83  
   83  
   82  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   275.000  1.510
   54    56   260.000  1.509
   54    63   275.000  1.510
   54    71   335.000  1.432
   56    57   340.000  1.088
   56    65   275.000  1.510
   56    71   335.000  1.432
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    81   317.000  1.510
   81    82   340.000  1.090
   81    52   268.000  1.529
   81    68   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    68   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   320.000  1.410
   83    63   320.000  1.380
   63    64   340.000  1.090
   63    69   380.000  1.407
   69    70   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.37300
   47    52    81    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    60.00000  120.94000
   49    54    63    75.00000  109.43000
   49    54    71    80.00000  116.47100
   51    49    50    33.00000  107.80000
   54    49    50    45.00000  109.38400
   54    49    51    45.00000  109.38400
   54    56    57    37.50000  117.20000
   54    56    65    60.00000  120.94000
   54    56    71    15.00000   60.43100
   54    63    83    90.00000  108.56700
   54    63    64    45.00000  112.01100
   54    63    69    90.00000  110.19100
   54    71    56    15.00000   59.14900
   56    65    66    45.00000  109.38400
   56    65    67    45.00000  109.38400
   56    65    72    70.00000  112.37300
   65    56    57    40.00000  115.04500
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    70.00000  112.02700
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    75    76    70.00000  124.00000
   72    75    78    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    76    77    35.00000  120.00000
   75    76    81    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    83    85.00000  110.90400
   76    81    82    35.00000  109.50000
   76    81    52    70.00000  112.02700
   76    81    68    85.00000  110.90400
   81    76    77    35.00000  117.00000
   81    52    53    37.50000  110.70000
   81    52    55    70.00000  112.02700
   81    68    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    81    82    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    68    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   68    81    82    35.00000  109.50000
   68    81    52    50.00000  109.50000
   68    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   78    75    76    70.00000  124.00000
   78    83    63    60.00000  109.50000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    63    64    35.00000  109.50000
   83    63    69   110.00000  112.08000
   63    54    56    60.00000  120.94000
   63    69    70    70.00000  107.92000
   69    63    64    60.00000  108.02500
   71    54    56    15.00000   60.43100
   71    54    63    80.00000  116.47100
   71    56    57    50.00000  114.27700
   71    56    65    80.00000  116.47100
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54  -0.26800  1.0 1.0
   46    47    49    54   0.69150 -1.0 2.0
   46    47    49    54  -0.48750  1.0 3.0
   46    47    52    81   0.62750  1.0 1.0
   46    47    52    81  -0.30950 -1.0 2.0
   46    47    52    81   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.07850  1.0 1.0
   47    49    54    56  -0.03950 -1.0 2.0
   47    49    54    56   0.67350  1.0 3.0
   47    49    54    63   3.97050  1.0 1.0
   47    49    54    71   0.02550  1.0 1.0
   47    49    54    71  -0.02600 -1.0 2.0
   47    49    54    71   1.20400  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    81   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    81   0.56750  1.0 1.0
   49    47    52    81  -0.07550 -1.0 2.0
   49    47    52    81   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   0.15000  1.0 3.0
   49    54    56    65   0.56750  1.0 1.0
   49    54    56    65  -0.07550 -1.0 2.0
   49    54    56    65   0.20000  1.0 3.0
   49    54   -56    71   0.02550  1.0 1.0
   49    54   -56    71  -0.02600 -1.0 2.0
   49    54   -56    71   1.20400  1.0 3.0
   49    54    63    83   0.62750  1.0 1.0
   49    54    63    83  -0.30950 -1.0 2.0
   49    54    63    83   0.27300  1.0 3.0
   49    54    63    64   0.15000  1.0 3.0
   49    54    63    69   0.86500  1.0 1.0
   49    54    63    69  -0.17500 -1.0 2.0
   49    54    63    69   0.20800  1.0 3.0
   49    54   -71    56   0.06250  1.0 1.0
   49    54   -71    56  -0.01100 -1.0 2.0
   49    54   -71    56   0.28050  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    63   0.15000  1.0 3.0
   50    49    54    71   0.23400  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    63   0.15000  1.0 3.0
   51    49    54    71   0.23400  1.0 3.0
   54    56    65    66   0.15000  1.0 3.0
   54    56    65    67   0.15000  1.0 3.0
   54    56    65    72   0.07850  1.0 1.0
   54    56    65    72  -0.03950 -1.0 2.0
   54    56    65    72   0.67350  1.0 3.0
   54    63    69    70  -0.11600  1.0 1.0
   54    63    69    70  -0.09450 -1.0 2.0
   54    63    69    70   0.21250  1.0 3.0
   56    54    63    83  -0.26800  1.0 1.0
   56    54    63    83   0.69150 -1.0 2.0
   56    54    63    83  -0.48750  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    69   0.86500  1.0 1.0
   56    54    63    69  -0.17500 -1.0 2.0
   56    54    63    69   0.20800  1.0 3.0
   56    65    72    73   0.15000  1.0 3.0
   56    65    72    74   0.15000  1.0 3.0
   56    65    72    75   0.34400  1.0 1.0
   56    65    72    75   0.09450 -1.0 2.0
   56    65    72    75   0.11100  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    72   0.15000  1.0 3.0
   57    56   -71    54   0.36800  1.0 3.0
   65    56   -71    54   0.06250  1.0 1.0
   65    56   -71    54  -0.01100 -1.0 2.0
   65    56   -71    54   0.28050  1.0 3.0
   65    72    75    76   0.09850  1.0 1.0
   65    72    75    76   0.15250 -1.0 2.0
   65    72    75    76  -0.50650  1.0 3.0
   65    72    75    78   0.46850  1.0 1.0
   65    72    75    78   0.08550 -1.0 2.0
   65    72    75    78   0.09800  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    75   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    75   0.15000  1.0 3.0
   72    75    76    77   7.00000 -1.0 2.0
   72    75    76    81   7.00000 -1.0 2.0
   72    75    78    79   0.34800  1.0 3.0
   72    75    78    80   0.34800  1.0 3.0
   72    75    78    83   0.09700  1.0 1.0
   72    75    78    83   0.15600 -1.0 2.0
   72    75    78    83  -0.50800  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    78   0.34800  1.0 3.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    78   0.34800  1.0 3.0
   75    76    81    82   0.00000  1.0 1.0
   75    76    81    52   0.09850  1.0 1.0
   75    76    81    52   0.15250 -1.0 2.0
   75    76    81    52  -0.50650  1.0 3.0
   75    76    81    68   0.39000  1.0 1.0
   75    76    81    68  -0.05800 -1.0 2.0
   75    76    81    68  -0.55150  1.0 3.0
   75    78    83    63  -0.77900  1.0 1.0
   75    78    83    63  -0.36900 -1.0 2.0
   75    78    83    63   0.40400  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    83   0.39000  1.0 1.0
   76    75    78    83  -0.05800 -1.0 2.0
   76    75    78    83  -0.55150  1.0 3.0
   76    81    52    47   0.34400  1.0 1.0
   76    81    52    47   0.09450 -1.0 2.0
   76    81    52    47   0.11100  1.0 3.0
   76    81    52    53   0.15000  1.0 3.0
   76    81    52    55   0.31000  1.0 1.0
   76    81    52    55   0.14700 -1.0 2.0
   76    81    52    55   0.07550  1.0 3.0
   76    81    68    58  -0.82050  1.0 1.0
   76    81    68    58   0.00600 -1.0 2.0
   76    81    68    58   0.04400  1.0 3.0
   77    76    81    82   0.33100  1.0 3.0
   77    76    81    52   0.00000  1.0 1.0
   77    76    81    68   0.00000  1.0 1.0
   81    52   -55    58   0.09700  1.0 1.0
   81    52   -55    58   0.15600 -1.0 2.0
   81    52   -55    58  -0.50800  1.0 3.0
   81    52    55    60   0.09850  1.0 1.0
   81    52    55    60   0.15250 -1.0 2.0
   81    52    55    60  -0.50650  1.0 3.0
   82    81    52    47   0.15000  1.0 3.0
   82    81    52    53   0.15000  1.0 3.0
   82    81    52    55   0.15000  1.0 3.0
   82    81    68    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.47050  1.0 1.0
   52    47    49    54   0.03900 -1.0 2.0
   52    47    49    54   0.20100  1.0 3.0
   52    81   -68    58  -0.25900  1.0 1.0
   52    81   -68    58  -0.47000 -1.0 2.0
   52    81   -68    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    68  -0.15000  1.0 1.0
   52    55   -58    68   0.89550 -1.0 2.0
   52    55   -58    68  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -68    81   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    68    81   3.00000 -1.0 2.0
   68    81    52    47   0.62750  1.0 1.0
   68    81    52    47  -0.30950 -1.0 2.0
   68    81    52    47   0.27300  1.0 3.0
   68    81    52    53   0.23400  1.0 3.0
   68    81   -52    55   0.61850  1.0 1.0
   68    81   -52    55  -0.22750 -1.0 2.0
   68    81   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    68  -0.56150  1.0 1.0
   60    55    58    68   2.19150 -1.0 2.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    81   7.00000 -1.0 2.0
   78    83    63    54   0.06250  1.0 1.0
   78    83    63    54  -0.01100 -1.0 2.0
   78    83    63    54   0.28050  1.0 3.0
   78    83    63    64   0.37050  1.0 3.0
   78    83    63    69  -0.70900  1.0 1.0
   78    83    63    69  -1.18000 -1.0 2.0
   78    83    63    69   0.91650  1.0 3.0
   79    78    83    63   0.37050  1.0 3.0
   80    78    83    63   0.37050  1.0 3.0
   83    63    69    70  -0.50000  1.0 1.0
   83    63    69    70  -0.73950 -1.0 2.0
   83    63    69    70   0.17150  1.0 3.0
   63    54    56    57   0.15000  1.0 3.0
   63    54    56    65   3.97050  1.0 1.0
   63    54   -56    71   0.02550  1.0 1.0
   63    54   -56    71  -0.02600 -1.0 2.0
   63    54   -56    71   1.20400  1.0 3.0
   63    54   -71    56   0.06250  1.0 1.0
   63    54   -71    56  -0.01100 -1.0 2.0
   63    54   -71    56   0.28050  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   71    54   -56    57   0.23400  1.0 3.0
   71    54   -56    65   0.02550  1.0 1.0
   71    54   -56    65  -0.02600 -1.0 2.0
   71    54   -56    65   1.20400  1.0 3.0
   71    54    63    83   1.11900  1.0 1.0
   71    54    63    83  -1.16350 -1.0 2.0
   71    54    63    83  -0.34150  1.0 3.0
   71    54    63    64   0.23400  1.0 3.0
   71    54    63    69   3.69350  1.0 1.0
   71    54    63    69  -1.82950 -1.0 2.0
   71    56    65    66   0.23400  1.0 3.0
   71    56    65    67   0.23400  1.0 3.0
   71    56    65    72   0.02550  1.0 1.0
   71    56    65    72  -0.02600 -1.0 2.0
   71    56    65    72   1.20400  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   72    78    75    76   1.10000 -1.0 2.0
   81    77    76    75   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    68    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
