* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    240     456
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064   104.80616   -32.72600
    3     1 S   H    _H1_     3     1.02046    67.39300    71.70030
    4     1 S   H    _H2_     4     1.02108    45.45265  -134.48434
    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   _C10    36     1.81218    98.48507  -178.19095
   34    33 S   HC   _H4_    37     1.10045    99.21239   -48.11869
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C8_    38     1.51298   113.62849  -160.00794
   39    33 S   CM   _C11    60     1.54261   115.87078    62.69284
   40    38 S   CM   _C9_    39     1.34497   122.01996   126.78499
   41    40 S   HC   _H10    40     1.08227   124.10115     0.31898
   42    39 S   CT   _C23    61     1.52236   111.13982  -137.15748
   43    42 S   HC   _H25    62     1.08049   108.33270   -91.03516
   44    42 S   HC   _H26    63     1.08022   108.45006   148.76040
   45    42 S   HC   _H27    64     1.08087   108.34046    29.07379
   46    40 S   CT   _C5_    41     1.49614   113.98052   179.98022
   47    46 S   HC   _H3_    42     1.09598   110.03593  -126.87761
   48    46 S   CT   _C6_    43     1.53197   102.41541   -10.33445
   49    48 S   HC   _H8_    44     1.09711   112.03117   141.86491
   50    48 S   HC   _H9_    45     1.09924   109.27339  -100.65996
   51    46 S   CT   _C4_    80     1.52277   112.09194   111.65775
   52    51 S   HC   _H5_    81     1.09040   110.05191   -57.88363
   53    51 S   HC   _H6_    82     1.09000   110.01954  -177.86384
   54    51 S   HC   _H7_    83     1.09025   110.05597    62.08022
   55    38 S   CT   _C7_    46     1.50754   128.47544   -50.66888
   56    55 S   CO4  _C19    47     1.50965   115.74341    69.41504
   57    56 S   O    _O33    48     1.22102   126.30924    50.53694
   58    56 S   CM   _C18    49     1.46384   109.90239  -130.10719
   59    58 S   CM   _C17    50     1.33377   102.31677     3.62374
   60    58 S   CT   _C20    76     1.47622   124.37518  -178.23564
   61    60 S   HC   _H15    77     1.09622   110.70861   -87.45610
   62    60 S   HC   _H16    78     1.09639   110.71747   152.35678
   63    60 S   HC   _H17    79     1.09585   110.67622    32.71385
   64    59 S   CT   _C16    51     1.50801   127.73651   178.41588
   65    64 S   HC   _H13    52     1.09695   110.29742    20.69439
   66    64 S   HC   _H14    53     1.10012   107.44196   134.70844
   67    55 S   OS   _O34    75     1.42424   114.02494   -50.10036
   68    64 S   CT   _C15    54     1.56235   114.45058  -103.30711
   69    68 S   CM   _C14    55     1.52269   108.02674   -50.63985
   70    69 S   HC   _H12    56     1.09041   115.13655   -63.53346
   71    68 S   CT   _C21    67     1.54419   109.58858    74.24768
   72    71 S   HC   _H18    68     1.08339   108.96078    58.76528
   73    71 S   HC   _H19    69     1.08286   108.97695   -61.26758
   74    71 S   HC   _H20    70     1.08305   108.98922   178.70578
   75    68 S   CT   _C22    71     1.54052   108.98937  -168.18313
   76    75 S   HC   _H21    72     1.08413   109.21352   -62.66582
   77    75 S   HC   _H22    73     1.08399   109.20427   177.31030
   78    75 S   HC   _H23    74     1.08522   109.15044    57.31870
   79    69 S   CM   _C13    57     1.34254   126.03516   107.06051
   80    79 S   HC   _H11    58     1.08269   120.90423     9.11163
   81    79 S   CM   _C12    59     1.44400   122.36828  -166.25015
   82    81 S   OH   _O35    65     1.38298   110.65342   -70.29888
   83    82 S   HO   _H24    66     0.96111   109.68494    -0.02798
  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   8   5   4   3
  17   6   2   1   1  17  12  13   5   6   3   2   1  11   8  12
   5   4   4   2   1   1   7   9   4  10  12   5   2   1   1  15
   6   5   1  13  13   5   8   3   2   1   4   2   1   1   4   2
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    81    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    48    55    56    79    81    39    42    43    44    45    82    67  
   38    40    55    81    39    42  
   36    37  
   37  
    0  
   40    41    46    47    48    49    50    55    56    57    58    59    81    39    42    67    51  
   42    43    44    45    82    83    40    55    69    79    80    81  
   41    46    47    48    49    50    55    56    67    51    52    53    54  
   46    47    48    55    51  
   43    44    45    82    79    81  
   44    45    81  
   45    81  
   81  
   47    48    49    50    55    56    67    51    52    53    54  
   48    49    50    55    51    52    53    54  
   49    50    55    56    57    58    59    67    51    52    53    54  
   50    55    56    67    51  
   55    56    67    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    64    67    60  
   57    58    59    64    67    60    61    62    63  
   58    59    67    60  
   59    64    65    66    68    67    60    61    62    63  
   64    65    66    68    69    71    75    67    60    61    62    63  
   61    62    63    64    67  
   62    63  
   63  
    0  
   65    66    68    69    70    79    71    72    73    74    75    76    77    78    67  
   66    68    69    71    75    67  
   68    69    71    75    67  
   68  
   69    70    79    80    81    71    72    73    74    75    76    77    78  
   70    79    80    81    82    71    72    73    74    75    76    77    78  
   79    80    81    71    75  
   72    73    74    75    76    77    78    79  
   73    74    75  
   74    75  
   75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   82   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    55   317.000  1.510
   40    41   340.000  1.080
   40    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   317.000  1.522
   55    67   320.000  1.410
   56    57   570.000  1.229
   56    58   320.000  1.462
   58    59   549.000  1.340
   58    60   317.000  1.510
   59    64   317.000  1.510
   59    67   440.000  1.360
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   317.000  1.510
   68    71   268.000  1.529
   68    75   268.000  1.529
   69    70   340.000  1.080
   69    79   549.000  1.340
   79    80   340.000  1.080
   79    81   380.000  1.444
   81    39   549.000  1.340
   81    82   510.000  1.338
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   82    83   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    55    65.00000  117.92700
   33    39    81    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    70.00000  124.00000
   38    55    48    70.00000  112.02700
   38    55    56    70.00000  109.06800
   38    55    67    85.00000  110.90400
   40    46    47    35.00000  109.50000
   40    46    48    70.00000  112.02700
   40    46    51    70.00000  112.02700
   46    40    41    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    55    56    63.00000  111.10000
   48    55    67    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    38    40    70.00000  124.00000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    56    57    80.00000  120.40000
   55    56    58    65.00000  118.62400
   55    67    59    90.00000  111.18400
   56    58    59    65.00000  118.96000
   56    58    60    65.00000  116.34900
   58    56    57    80.00000  123.72100
   58    59    64    70.00000  124.00000
   58    59    67    80.00000  120.01400
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    70.00000  112.02700
   64    68    69    70.00000  112.02700
   64    68    71    58.35000  112.70000
   64    68    75    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    69    70    35.00000  117.00000
   68    69    79    70.00000  124.00000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    37.50000  110.70000
   69    79    80    35.00000  120.00000
   69    79    81    70.00000  123.01800
   79    69    70    35.00000  120.00000
   79    81    39    70.00000  123.01800
   79    81    82    80.00000  121.38400
   81    79    80    35.00000  120.00000
   81    39    42    70.00000  124.00000
   81    82    83    70.00000  107.45700
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   82    81    39    80.00000  121.38400
   71    68    69    70.00000  112.02700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    69    70.00000  112.02700
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    55    56    90.00000  108.74100
   67    59    64    85.00000  112.85300
   60    58    59    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    55   0.30250  1.0 1.0
   29    33    38    55  -0.14950 -1.0 2.0
   29    33    38    55   0.36900  1.0 3.0
   29    33    39    81   0.42700  1.0 1.0
   29    33    39    81  -0.70350 -1.0 2.0
   29    33    39    81  -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    38    40    41   7.00000 -1.0 2.0
   33    38    40    46   7.00000 -1.0 2.0
   33    38    55    48   0.46850  1.0 1.0
   33    38    55    48   0.08550 -1.0 2.0
   33    38    55    48   0.09800  1.0 3.0
   33    38    55    56   0.17250  1.0 1.0
   33    38    55    56  -0.04100 -1.0 2.0
   33    38    55    56  -0.33850  1.0 3.0
   33    38    55    67   0.09700  1.0 1.0
   33    38    55    67   0.15600 -1.0 2.0
   33    38    55    67  -0.50800  1.0 3.0
   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    38    40   0.00000  1.0 1.0
   34    33    38    55   0.34800  1.0 3.0
   34    33    39    81   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    81  -0.28300  1.0 1.0
   38    33    39    81   0.26700 -1.0 2.0
   38    33    39    81  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40   -46    48   0.09850  1.0 1.0
   38    40   -46    48   0.15250 -1.0 2.0
   38    40   -46    48  -0.50650  1.0 3.0
   38    40    46    51   0.09850  1.0 1.0
   38    40    46    51   0.15250 -1.0 2.0
   38    40    46    51  -0.50650  1.0 3.0
   38    55    56    57   0.30150 -1.0 2.0
   38    55    56    58   0.65300  1.0 1.0
   38    55    56    58  -0.03850 -1.0 2.0
   38    55    56    58   0.33900  1.0 3.0
   38    55    67    59  -0.48150  1.0 1.0
   38    55    67    59   0.09250 -1.0 2.0
   38    55    67    59  -0.12850  1.0 3.0
   40    38   -55    48   0.09850  1.0 1.0
   40    38   -55    48   0.15250 -1.0 2.0
   40    38   -55    48  -0.50650  1.0 3.0
   40    38    55    56  -0.51250  1.0 1.0
   40    38    55    56  -0.88800 -1.0 2.0
   40    38    55    56   0.08850  1.0 3.0
   40    38    55    67   0.39000  1.0 1.0
   40    38    55    67  -0.05800 -1.0 2.0
   40    38    55    67  -0.55150  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50   0.15000  1.0 3.0
   40    46   -48    55   0.34400  1.0 1.0
   40    46   -48    55   0.09450 -1.0 2.0
   40    46   -48    55   0.11100  1.0 3.0
   40    46    51    52   0.15000  1.0 3.0
   40    46    51    53   0.15000  1.0 3.0
   40    46    51    54   0.15000  1.0 3.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    46    51   0.00000  1.0 1.0
   46    48   -55    38   0.34400  1.0 1.0
   46    48   -55    38   0.09450 -1.0 2.0
   46    48   -55    38   0.11100  1.0 3.0
   46    48    55    56  -0.95700  1.0 1.0
   46    48    55    56  -0.18200 -1.0 2.0
   46    48    55    56   0.29450  1.0 3.0
   46    48    55    67   0.62750  1.0 1.0
   46    48    55    67  -0.30950 -1.0 2.0
   46    48    55    67   0.27300  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   48    55    56    57   0.30150 -1.0 2.0
   48    55    56    58   0.65300  1.0 1.0
   48    55    56    58  -0.03850 -1.0 2.0
   48    55    56    58   0.33900  1.0 3.0
   48    55    67    59  -0.46850  1.0 1.0
   48    55    67    59   0.09300 -1.0 2.0
   48    55    67    59  -0.12850  1.0 3.0
   49    48    55    38   0.15000  1.0 3.0
   49    48    55    56  -0.11250  1.0 3.0
   49    48    55    67   0.23400  1.0 3.0
   50    48    55    38   0.15000  1.0 3.0
   50    48    55    56  -0.11250  1.0 3.0
   50    48    55    67   0.23400  1.0 3.0
   55    38    40    41   7.00000 -1.0 2.0
   55    38   -40    46   7.00000 -1.0 2.0
   55    56   -58    59  -0.33500  1.0 1.0
   55    56   -58    59   1.06600 -1.0 2.0
   55    56   -58    59  -0.14000  1.0 3.0
   55    56    58    60   0.25700  1.0 1.0
   55    56    58    60   0.66200 -1.0 2.0
   55    56    58    60   0.04450  1.0 3.0
   56    55   -67    59  -0.48150  1.0 1.0
   56    55   -67    59   0.09250 -1.0 2.0
   56    55   -67    59  -0.12850  1.0 3.0
   56    58    59    64   7.00000 -1.0 2.0
   56    58   -59    67   7.00000 -1.0 2.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    62   0.15000  1.0 3.0
   56    58    60    63   0.15000  1.0 3.0
   57    56    58    59   1.00000 -1.0 2.0
   57    56    58    60  -0.64400  1.0 1.0
   57    56    58    60   0.26850 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    68   0.09850  1.0 1.0
   58    59    64    68   0.15250 -1.0 2.0
   58    59    64    68  -0.50650  1.0 3.0
   58    59   -67    55  -2.26850  1.0 1.0
   58    59   -67    55   3.39050 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    63   0.00000  1.0 1.0
   59    64    68    69   0.31000  1.0 1.0
   59    64    68    69   0.14700 -1.0 2.0
   59    64    68    69   0.07550  1.0 3.0
   59    64    68    71   0.34400  1.0 1.0
   59    64    68    71   0.09450 -1.0 2.0
   59    64    68    71   0.11100  1.0 3.0
   59    64    68    75   0.34400  1.0 1.0
   59    64    68    75   0.09450 -1.0 2.0
   59    64    68    75   0.11100  1.0 3.0
   64    59    67    55   2.00000 -1.0 2.0
   64    68    69    70   0.00000  1.0 1.0
   64    68    69    79   0.09850  1.0 1.0
   64    68    69    79   0.15250 -1.0 2.0
   64    68    69    79  -0.50650  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    74   0.15000  1.0 3.0
   64    68    75    76   0.15000  1.0 3.0
   64    68    75    77   0.15000  1.0 3.0
   64    68    75    78   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    75   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    71   0.15000  1.0 3.0
   66    64    68    75   0.15000  1.0 3.0
   68    69    79    80   7.00000 -1.0 2.0
   68    69    79    81   7.00000 -1.0 2.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    78   0.15000  1.0 3.0
   69    79    81    39   0.28850  1.0 1.0
   69    79    81    39   2.61350 -1.0 2.0
   69    79    81    39   0.78400  1.0 3.0
   69    79    81    82   0.50950  1.0 1.0
   69    79    81    82   0.56650 -1.0 2.0
   69    79    81    82   0.34050  1.0 3.0
   70    69    79    80   7.00000 -1.0 2.0
   70    69    79    81   7.00000 -1.0 2.0
   79    81    39    33   7.00000 -1.0 2.0
   79    81    39    42   7.00000 -1.0 2.0
   79    81    82    83  -0.66100  1.0 1.0
   79    81    82    83   1.20850 -1.0 2.0
   79    81    82    83  -0.36000  1.0 3.0
   80    79    81    39  -0.18600  1.0 3.0
   80    79    81    82   0.00000  1.0 1.0
   81    39    42    43   0.00000  1.0 1.0
   81    39    42    44   0.00000  1.0 1.0
   81    39    42    45   0.00000  1.0 1.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33    38    55   0.09700  1.0 1.0
   39    33    38    55   0.15600 -1.0 2.0
   39    33    38    55  -0.50800  1.0 3.0
   39    81    82    83  -0.66100  1.0 1.0
   39    81    82    83   1.20850 -1.0 2.0
   39    81    82    83  -0.36000  1.0 3.0
   82    81    39    33   7.00000 -1.0 2.0
   82    81    39    42   7.00000 -1.0 2.0
   71    68    69    70   0.00000  1.0 1.0
   71    68    69    79   0.09850  1.0 1.0
   71    68    69    79   0.15250 -1.0 2.0
   71    68    69    79  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    69    70   0.00000  1.0 1.0
   75    68    69    79   0.09850  1.0 1.0
   75    68    69    79   0.15250 -1.0 2.0
   75    68    69    79  -0.50650  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   67    55    56    57   0.30150 -1.0 2.0
   67    55   -56    58   0.65300  1.0 1.0
   67    55   -56    58  -0.03850 -1.0 2.0
   67    55   -56    58   0.33900  1.0 3.0
   67    59    64    65   0.00000  1.0 1.0
   67    59    64    66   0.00000  1.0 1.0
   67    59    64    68   0.09700  1.0 1.0
   67    59    64    68   0.15600 -1.0 2.0
   67    59    64    68  -0.50800  1.0 3.0
   60    58    59    64   7.00000 -1.0 2.0
   60    58    59    67   7.00000 -1.0 2.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    55   0.56750  1.0 1.0
   51    46    48    55  -0.07550 -1.0 2.0
   51    46    48    55   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
   33    55    38    40   1.10000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   55    58    56    57  10.50000 -1.0 2.0
   56    60    58    59   1.10000 -1.0 2.0
   64    67    59    58   1.10000 -1.0 2.0
   68    70    69    79   1.10000 -1.0 2.0
   81    80    79    69   1.10000 -1.0 2.0
   79    82    81    39   1.10000 -1.0 2.0
   33    42    39    81   1.10000 -1.0 2.0
END
