* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    148    235     422
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080   102.94914   -40.57007
    3     1 S   H    _H1_     3     1.02047    72.35224    65.25830
    4     1 S   H    _H2_     4     1.02097    41.36057  -144.20513
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C8_    36     1.85254    97.20049   161.82949
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C14    37     1.51733   109.13752  -180.00000
   38    33 S   CT   _C9_    61     1.56882   111.39218   -67.99767
   39    38 S   HC   _H3_    62     1.09858   110.54112    34.51277
   40    37 S   CM   _C15    38     1.34297   121.69084   -93.26412
   41    37 S   NE   _N5_    52     1.38381   107.69384    92.66599
   42    38 S   CT   _C17    63     1.53369   112.99296   153.92917
   43    42 S   HC   _H16    64     1.08763   109.59191   -80.01468
   44    42 S   HC   _H17    65     1.08751   109.55751   159.09600
   45    40 S   CM   _C5_    39     1.46722   121.34091    -0.83556
   46    40 S   OH   _O34    50     1.37745   123.91314   178.08174
   47    46 S   HO   _H12    51     0.96303   109.96589     1.00678
   48    41 S   CT   _C13    53     1.45814   130.03599   161.24076
   49    48 S   HC   _H10    54     1.09458   110.15848    97.84279
   50    48 S   HC   _H11    55     1.09451   112.79463   -25.27491
   51    42 S   OS   _O36    66     1.41375   108.23668    39.53220
   52    45 S   CM   _C6_    40     1.35272   121.51507   -14.82103
   53    45 S   CT   _C4_    46     1.51056   115.72121   167.76997
   54    53 S   HC   _H6_    47     1.08457   108.93720   -92.69074
   55    53 S   HC   _H7_    48     1.08485   108.95667   147.24966
   56    53 S   HC   _H8_    49     1.08387   109.02640    27.58565
   57    48 S   C3T  _C12    56     1.50157   103.73032  -143.47909
   58    57 S   HC   _H5_    57     1.07772   116.89938  -145.05266
   59    51 S   CO4  _C18    67     1.37316   116.33850  -180.00000
   60    59 S   O    _O37    68     1.22597   124.64358     0.00000
   61    33 S   CO4  _C7_    41     1.52840   105.00152    60.29903
   62    61 S   O    _O33    42     1.23157   121.72366   -85.85098
   63    52 S   NE   _N7_    43     1.36607   127.23917  -175.27329
   64    63 S   H    _H20    44     0.99577   118.48092    -0.07402
   65    63 S   H    _H21    45     0.99564   118.59144   179.96044
   66    57 S   C3T  _C11    58     1.49668   109.66712    -2.56544
   67    66 S   HC   _H4_    59     1.07922   120.19550  -142.50584
   68    59 S   N    _N6_    69     1.37291   111.02062   179.98022
   69    68 S   H    _H18    70     1.01437   119.32109   179.96044
   70    68 S   H    _H19    71     1.01442   121.41253     0.03956
   71    41 S   CO   _C10    60     1.47196   113.26544     5.85096
   72    57 S   NTH  _N4_    77     1.45074   118.89104    62.59642
   73    72 S   H    _H9_    78     1.01769   109.96861     7.80177
   74    71 S   OS   _O35    72     1.42709   110.39754  -100.26020
   75    74 S   CT   _C16    73     1.41936   111.31105   -47.83645
   76    75 S   HC   _H13    74     1.09242   109.52480   180.00000
   77    75 S   HC   _H14    75     1.09324   109.46280    59.21656
   78    75 S   HC   _H15    76     1.09256   109.00335   -60.39829
  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  11   5   4   3
  19   2   1   1  19  19   9  13  15  10   4   3  12   3   1  10
   6   5   6   9   5   2   1   1   7   5   4   3   5   1   2   1
   1   6   4   2   1   1   7   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    52    61    62    41    71    38    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    45    52    61    62    63    46    41    48    66    71    38    39    42    43    44    51    74  
   35    36  
   36  
    0  
   40    45    52    61    62    53    46    47    41    48    49    50    57    66    71    38    39    42    74  
   39    42    43    44    51    59    74    75    72    40    41    48    52    57    61    62    66    67    71  
   42    43    44    51    74    41    61    66    71  
   45    52    61    63    53    54    55    56    46    47    41    48    71  
   48    49    50    57    58    66    67    71    42    74    75    72    45    46    61  
   43    44    51    59    60    68    74    61    66    71  
   44    51    59    71  
   51    59    71  
   52    61    62    63    64    65    53    54    55    56    46    47  
   47    52    53  
    0  
   49    50    57    58    66    67    71    74    72    73  
   50    57    58    66    71    72  
   57    58    66    71    72  
   59    60    68    69    70    71  
   61    62    63    64    65    53    54    55    56  
   54    55    56    61    63  
   55    56  
   56  
    0  
   58    66    67    71    74    72    73  
   66    67    71    72    73  
   60    68    69    70  
   68    69    70  
   62    63    64    65    71  
   63  
   64    65  
   65  
    0  
   67    71    74    75    72    73  
   71    74    72    73  
   69    70  
   70  
    0  
   74    75    76    77    78    72    73  
   73    74  
    0  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   42   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   72   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    61   317.000  1.522
   33    38   268.000  1.529
   37    40   549.000  1.340
   37    41   425.000  1.378
   40    45   380.000  1.444
   40    46   510.000  1.338
   45    52   549.000  1.340
   45    53   317.000  1.510
   52    61   320.000  1.462
   52    63   425.000  1.378
   61    62   570.000  1.229
   63    64   434.000  1.010
   63    65   434.000  1.010
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   46    47   553.000  0.945
   41    48   382.000  1.448
   41    71   320.000  1.442
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   275.000  1.510
   57    58   340.000  1.088
   57    66   260.000  1.509
   57    72   315.000  1.448
   66    67   340.000  1.088
   66    71   275.000  1.510
   66    72   315.000  1.448
   71    38   250.000  1.527
   71    74   320.000  1.380
   38    39   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   320.000  1.410
   51    59   214.000  1.327
   59    60   570.000  1.229
   59    68   435.000  1.380
   68    69   434.000  1.010
   68    70   434.000  1.010
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   72    73   500.000  1.015
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    61    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    41    75.00000  116.24600
   33    61    52    65.00000  118.62400
   33    61    62    80.00000  120.40000
   33    38    71    75.00000  109.43000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   37    40    45    70.00000  123.01800
   37    40    46    80.00000  121.38400
   37    41    48    50.00000  121.00000
   37    41    71    50.00000  121.00000
   40    45    52    70.00000  123.01800
   40    45    53    70.00000  124.00000
   40    46    47    70.00000  107.45700
   45    52    61    65.00000  118.96000
   45    52    63    70.00000  124.03900
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   52    61    62    80.00000  123.72100
   52    63    64    35.00000  114.50000
   52    63    65    35.00000  114.50000
   61    33    37    70.00000  109.06800
   63    52    61    70.00000  117.92000
   65    63    64    35.00000  109.00000
   53    45    52    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   46    40    45    80.00000  121.38400
   41    37    40    70.00000  124.03900
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    57    80.00000  111.61500
   41    71    66    85.00000  109.98000
   41    71    38    85.00000  109.98000
   41    71    74    95.00000  112.71300
   48    57    58    40.00000  115.04500
   48    57    66    60.00000  120.94000
   48    57    72    80.00000  111.29100
   50    48    49    33.00000  107.80000
   57    48    49    45.00000  109.38400
   57    48    50    45.00000  109.38400
   57    66    67    37.50000  117.20000
   57    66    71    60.00000  120.94000
   57    66    72    30.00000   60.00000
   57    72    66    10.00000   60.00000
   57    72    73    50.00000  109.23200
   66    57    58    37.50000  117.20000
   66    71    38    65.00000  112.71400
   66    71    74    90.00000  108.56700
   66    72    73    50.00000  109.23200
   71    41    48    50.00000  115.00000
   71    66    67    40.00000  115.04500
   71    38    39    45.00000  108.72000
   71    38    42    75.00000  109.43000
   71    74    75    60.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    61    63.00000  111.10000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    51    59    83.00000  116.90000
   44    42    43    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    44    35.00000  109.50000
   51    59    60    83.00000  123.40000
   51    59    68   110.00000  108.75700
   59    68    69    50.00000  116.34900
   59    68    70    50.00000  116.34900
   68    59    60    85.00000  125.96000
   70    68    69    35.00000  120.00000
   74    71    38    90.00000  108.56700
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   72    57    58    50.00000  110.59500
   72    57    66    30.00000   60.00000
   72    66    67    50.00000  110.59500
   72    66    71    80.00000  104.84000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    61    52   0.65300  1.0 1.0
   29    33    61    52  -0.03850 -1.0 2.0
   29    33    61    52   0.33900  1.0 3.0
   29    33    61    62   0.30150 -1.0 2.0
   29    33    38    71   0.44750  1.0 1.0
   29    33    38    71  -0.17800 -1.0 2.0
   29    33    38    71   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    41    48   1.00000 -1.0 2.0
   33    37   -41    71   1.00000 -1.0 2.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51   0.62750  1.0 1.0
   33    38    42    51  -0.30950 -1.0 2.0
   33    38    42    51   0.27300  1.0 3.0
   37    33    61    52   0.65300  1.0 1.0
   37    33    61    52  -0.03850 -1.0 2.0
   37    33    61    52   0.33900  1.0 3.0
   37    33    61    62   0.30150 -1.0 2.0
   37    33   -38    71   0.34400  1.0 1.0
   37    33   -38    71   0.09450 -1.0 2.0
   37    33   -38    71   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    42   0.34400  1.0 1.0
   37    33    38    42   0.09450 -1.0 2.0
   37    33    38    42   0.11100  1.0 3.0
   37    40   -45    52   0.28850  1.0 1.0
   37    40   -45    52   2.61350 -1.0 2.0
   37    40   -45    52   0.78400  1.0 3.0
   37    40    45    53  -0.18600  1.0 3.0
   37    40    46    47  -0.66100  1.0 1.0
   37    40    46    47   1.20850 -1.0 2.0
   37    40    46    47  -0.36000  1.0 3.0
   37    41    48    49   0.00000  1.0 1.0
   37    41    48    50   0.00000  1.0 1.0
   37    41    48    57   0.25450  1.0 1.0
   37    41    48    57  -0.61700 -1.0 2.0
   37    41    48    57  -0.23550  1.0 3.0
   37    41    71    66   0.25450  1.0 1.0
   37    41    71    66  -0.61700 -1.0 2.0
   37    41    71    66  -0.23550  1.0 3.0
   37    41   -71    38   0.25450  1.0 1.0
   37    41   -71    38  -0.61700 -1.0 2.0
   37    41   -71    38  -0.23550  1.0 3.0
   37    41    71    74   0.75000  1.0 1.0
   37    41    71    74  -0.75000 -1.0 2.0
   40    37    41    48  -0.54700  1.0 1.0
   40    37    41    48   1.23000 -1.0 2.0
   40    37    41    71  -0.54700  1.0 1.0
   40    37    41    71   1.23000 -1.0 2.0
   40    45    52    61   7.00000 -1.0 2.0
   40    45    52    63   7.00000 -1.0 2.0
   40    45    53    54   0.00000  1.0 1.0
   40    45    53    55   0.00000  1.0 1.0
   40    45    53    56   0.00000  1.0 1.0
   45    40    46    47  -0.66100  1.0 1.0
   45    40    46    47   1.20850 -1.0 2.0
   45    40    46    47  -0.36000  1.0 3.0
   45    52   -61    33  -0.33500  1.0 1.0
   45    52   -61    33   1.06600 -1.0 2.0
   45    52   -61    33  -0.14000  1.0 3.0
   45    52    61    62   1.00000 -1.0 2.0
   45    52    63    64   1.00000 -1.0 2.0
   45    52    63    65   1.00000 -1.0 2.0
   52    45    53    54   0.00000  1.0 1.0
   52    45    53    55   0.00000  1.0 1.0
   52    45    53    56   0.00000  1.0 1.0
   61    33   -37    40  -0.51250  1.0 1.0
   61    33   -37    40  -0.88800 -1.0 2.0
   61    33   -37    40   0.08850  1.0 3.0
   61    33    37    41   0.09700  1.0 1.0
   61    33    37    41   0.15600 -1.0 2.0
   61    33    37    41  -0.50800  1.0 3.0
   61    33    38    71  -0.95700  1.0 1.0
   61    33    38    71  -0.18200 -1.0 2.0
   61    33    38    71   0.29450  1.0 3.0
   61    33    38    39  -0.11250  1.0 3.0
   61    33    38    42  -0.95700  1.0 1.0
   61    33    38    42  -0.18200 -1.0 2.0
   61    33    38    42   0.29450  1.0 3.0
   61    52    63    64   1.00000 -1.0 2.0
   61    52    63    65   1.00000 -1.0 2.0
   63    52    61    33   1.50000 -1.0 2.0
   63    52    61    62  -0.52200  1.0 1.0
   63    52    61    62   0.82950 -1.0 2.0
   53    45    52    61   7.00000 -1.0 2.0
   53    45    52    63   7.00000 -1.0 2.0
   46    40    45    52   0.50950  1.0 1.0
   46    40    45    52   0.56650 -1.0 2.0
   46    40    45    52   0.34050  1.0 3.0
   46    40    45    53   1.08500 -1.0 2.0
   41    37    40    45   7.00000 -1.0 2.0
   41    37    40    46   7.00000 -1.0 2.0
   41    48    57    58   0.22950  1.0 3.0
   41    48   -57    66   1.26750  1.0 1.0
   41    48   -57    66  -0.00950 -1.0 2.0
   41    48   -57    66   0.30600  1.0 3.0
   41    48    57    72   4.29400  1.0 1.0
   41    48    57    72   0.12050 -1.0 2.0
   41    71   -38    33   1.26750  1.0 1.0
   41    71   -38    33  -0.00950 -1.0 2.0
   41    71   -38    33   0.30600  1.0 3.0
   41    71    38    39   0.22950  1.0 3.0
   41    71    38    42   1.26750  1.0 1.0
   41    71    38    42  -0.00950 -1.0 2.0
   41    71    38    42   0.30600  1.0 3.0
   41    71    74    75  -0.25000  1.0 1.0
   41    71    74    75  -0.75000 -1.0 2.0
   41    71    74    75   0.50000  1.0 3.0
   48    41   -71    66   0.00000  1.0 1.0
   48    41    71    38   0.00000  1.0 1.0
   48    41    71    74   0.00000  1.0 1.0
   48    57    66    67   0.15000  1.0 3.0
   48    57   -66    71   3.97050  1.0 1.0
   48    57   -66    72   1.53400  1.0 1.0
   48    57   -66    72  -0.09950 -1.0 2.0
   48    57   -66    72   0.05700  1.0 3.0
   48    57   -72    66  -0.35450  1.0 1.0
   48    57   -72    66   0.44050 -1.0 2.0
   48    57   -72    66   0.77100  1.0 3.0
   48    57    72    73   0.03200  1.0 1.0
   48    57    72    73   0.33800 -1.0 2.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    66   0.15000  1.0 3.0
   49    48    57    72   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    66   0.15000  1.0 3.0
   50    48    57    72   0.15000  1.0 3.0
   57    66   -71    41   1.26750  1.0 1.0
   57    66   -71    41  -0.00950 -1.0 2.0
   57    66   -71    41   0.30600  1.0 3.0
   57    66    71    38   0.07850  1.0 1.0
   57    66    71    38  -0.03950 -1.0 2.0
   57    66    71    38   0.67350  1.0 3.0
   57    66    71    74  -0.26800  1.0 1.0
   57    66    71    74   0.69150 -1.0 2.0
   57    66    71    74  -0.48750  1.0 3.0
   57    66   -72    73   0.03200  1.0 1.0
   57    66   -72    73   0.33800 -1.0 2.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    71   0.15000  1.0 3.0
   58    57   -66    72   0.15000  1.0 3.0
   58    57   -72    66   0.28000  1.0 3.0
   58    57    72    73   0.20000  1.0 3.0
   66    57   -72    73   0.03200  1.0 1.0
   66    57   -72    73   0.33800 -1.0 2.0
   66    71    38    33   0.47050  1.0 1.0
   66    71    38    33   0.03900 -1.0 2.0
   66    71    38    33   0.20100  1.0 3.0
   66    71    38    39   0.15000  1.0 3.0
   66    71    38    42   0.47050  1.0 1.0
   66    71    38    42   0.03900 -1.0 2.0
   66    71    38    42   0.20100  1.0 3.0
   66    71    74    75   0.06250  1.0 1.0
   66    71    74    75  -0.01100 -1.0 2.0
   66    71    74    75   0.28050  1.0 3.0
   67    66    71    41   0.22950  1.0 3.0
   67    66    71    38   0.15000  1.0 3.0
   67    66    71    74   0.23400  1.0 3.0
   67    66   -72    57   0.28000  1.0 3.0
   67    66    72    73   0.20000  1.0 3.0
   71    41    48    49   0.00000  1.0 1.0
   71    41    48    50   0.00000  1.0 1.0
   71    41   -48    57   0.00000  1.0 1.0
   71    66   -72    57  -0.35450  1.0 1.0
   71    66   -72    57   0.44050 -1.0 2.0
   71    66   -72    57   0.77100  1.0 3.0
   71    66    72    73   0.03200  1.0 1.0
   71    66    72    73   0.33800 -1.0 2.0
   71    38    42    43   0.15000  1.0 3.0
   71    38    42    44   0.15000  1.0 3.0
   71    38    42    51   0.62750  1.0 1.0
   71    38    42    51  -0.30950 -1.0 2.0
   71    38    42    51   0.27300  1.0 3.0
   71    74    75    76   0.37050  1.0 3.0
   71    74    75    77   0.37050  1.0 3.0
   71    74    75    78   0.37050  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33   -37    41  -0.93550  1.0 1.0
   38    33   -37    41   0.38900 -1.0 2.0
   38    33   -37    41   0.16950  1.0 3.0
   38    33    61    52   0.65300  1.0 1.0
   38    33    61    52  -0.03850 -1.0 2.0
   38    33    61    52   0.33900  1.0 3.0
   38    33    61    62   0.30150 -1.0 2.0
   38    71    74    75   0.06250  1.0 1.0
   38    71    74    75  -0.01100 -1.0 2.0
   38    71    74    75   0.28050  1.0 3.0
   38    42    51    59  -0.25900  1.0 1.0
   38    42    51    59  -0.47000 -1.0 2.0
   38    42    51    59   0.11750  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51   0.23400  1.0 3.0
   42    51    59    60   3.00000 -1.0 2.0
   42    51    59    68  -0.80800  1.0 1.0
   42    51    59    68   2.06850 -1.0 2.0
   43    42    51    59   0.08050  1.0 3.0
   44    42    51    59   0.08050  1.0 3.0
   51    59    68    69   2.56700 -1.0 2.0
   51    59    68    70   2.56700 -1.0 2.0
   60    59    68    69   2.45000 -1.0 2.0
   60    59    68    70   2.45000 -1.0 2.0
   74    71    38    33   0.62750  1.0 1.0
   74    71    38    33  -0.30950 -1.0 2.0
   74    71    38    33   0.27300  1.0 3.0
   74    71    38    39   0.23400  1.0 3.0
   74    71    38    42   0.62750  1.0 1.0
   74    71    38    42  -0.30950 -1.0 2.0
   74    71    38    42   0.27300  1.0 3.0
   72    57   -66    67   0.15000  1.0 3.0
   72    57   -66    71   1.53400  1.0 1.0
   72    57   -66    71  -0.09950 -1.0 2.0
   72    57   -66    71   0.05700  1.0 3.0
   72    66   -71    41   4.29400  1.0 1.0
   72    66   -71    41   0.12050 -1.0 2.0
   72    66    71    38   1.53400  1.0 1.0
   72    66    71    38  -0.09950 -1.0 2.0
   72    66    71    38   0.05700  1.0 3.0
   72    66    71    74   2.01850  1.0 1.0
   72    66    71    74  -0.32950 -1.0 2.0
   72    66    71    74  -0.50350  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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    40   1.10000 -1.0 2.0
   45    46    40    37   1.10000 -1.0 2.0
   40    53    45    52   1.10000 -1.0 2.0
   61    63    52    45   1.10000 -1.0 2.0
   33    52    61    62  10.50000 -1.0 2.0
   65    52    63    64   1.00000 -1.0 2.0
   71    37    41    48   1.00000 -1.0 2.0
   51    68    59    60  10.50000 -1.0 2.0
   70    59    68    69   1.00000 -1.0 2.0
END
