* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    245     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02126    50.87912  -124.25751
    3     1 S   H    _H1_     3     1.02106   106.25332   -23.14166
    4     1 S   H    _H2_     4     1.02071    61.39133    79.62202
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C14    36     1.84030    97.59200   161.82293
   34    33 S   HC   _H6_    37     1.09347   103.87024    41.20888
   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   CT   _C15    38     1.54272   113.42723   159.99015
   39    38 S   HC   _H7_    39     1.09362   109.64911  -139.54069
   40    38 S   C3T  _C16    40     1.50840   105.77846   102.07157
   41    38 S   OH   _O36    75     1.42023   113.79381   -20.44716
   42    41 S   HO   _H15    76     0.97073   106.80427   -59.97120
   43    40 S   C3T  _C17    41     1.52203   121.60295  -153.60712
   44    43 S   HC   _H13    42     1.08280   119.74949     6.46654
   45    43 S   HC   _H14    43     1.08134   119.66430   155.08470
   46    40 S   CT   _C10    45     1.53819   111.81156     6.52354
   47    40 S   O3T  _O35    44     1.43642   113.21531   141.26485
   48    46 S   CT   _C9_    46     1.56802   117.18967   134.68946
   49    48 S   HC   _H4_    47     1.10086   107.53812   157.29386
   50    46 S   CT   _C18    71     1.55334   107.17928  -105.33227
   51    50 S   HC   _H17    72     1.08044   108.45273    53.59781
   52    50 S   HC   _H18    73     1.07954   108.48892   -66.33233
   53    50 S   HC   _H19    74     1.08014   108.48623   173.59421
   54    48 S   CT   _C8_    48     1.54054   115.49481   -83.93647
   55    54 S   HC   _H3_    49     1.09575   112.12255   173.90680
   56    48 S   OH   _O38    69     1.42423   111.81962    43.18592
   57    56 S   HO   _H20    70     0.97007   106.56576   170.07152
   58    54 S   CT   _C7_    50     1.52460   111.41206   -58.46431
   59    58 S   CT   _C12    51     1.53557    97.75569    72.00411
   60    59 S   HC   _H5_    52     1.09668   110.44510   161.29580
   61    58 S   CM   _C5_    59     1.49304   116.57234   -54.27345
   62    58 S   OH   _O39    67     1.43537   109.62511  -174.70942
   63    62 S   HO   _H21    68     0.96653   106.07486    66.68958
   64    59 S   CO4  _C13    53     1.51460    97.84677    46.60424
   65    64 S   O    _O33    54     1.22014   126.68049   146.08092
   66    33 S   CT   _C11    56     1.56272   114.42659   -79.36187
   67    61 S   CM   _C6_    60     1.34175   121.92743   145.62204
   68    67 S   HC   _H11    61     1.08443   121.35572  -179.98022
   69    67 S   HC   _H12    62     1.08451   121.29248    -0.00000
   70    61 S   CT   _C4_    63     1.50006   116.19284   -34.40594
   71    70 S   HC   _H8_    64     1.09477   110.29939   -89.94981
   72    70 S   HC   _H9_    65     1.09463   110.26189    29.84931
   73    70 S   HC   _H10    66     1.09458   112.18917   149.91381
   74    54 S   OS   _O34    55     1.44275   109.88352    54.54607
   75    66 S   OH   _O37    57     1.42888   109.72330    25.72123
   76    75 S   HO   _H16    58     0.96783   106.33919   -58.92091
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  14   7  18   5   1   7   3   2  19   3  17
   8   8   3   2   1  15   7   4   1  17  12   7  12   6   1   4
   2   3   6   2   1   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    59    66    75    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    46    48    58    59    60    64    66    75    76    50    41    42  
   38    39    40    46    59    66    75    41  
   36    37  
   37  
    0  
   39    40    43    44    45    47    46    48    59    66    75    50    41    42  
   40    43    47    46    66    41    42  
   43    44    45    47    46    48    49    54    59    66    75    56    50    51    52    53    41    42  
   42    43    46    47    66  
    0  
   44    45    47    46    48    66    50  
   45    47    46  
   47    46  
   48    49    54    55    58    59    60    64    74    66    75    76    56    57    50    51    52    53    47  
   48    66    50  
   49    54    55    58    59    64    74    66    75    61    62    56    57    50    51    52    53  
   54    55    58    74    66    56    57    50  
   51    52    53    54    56    59    66    75  
   52    53    66  
   53    66  
   66  
   55    58    59    60    64    65    74    66    61    67    70    62    63    56    57  
   58    59    64    74    61    62    56  
   57    58    66    74  
    0  
   59    60    64    65    74    66    75    61    67    68    69    70    71    72    73    62    63  
   60    64    65    74    66    75    76    61    67    70    62    63  
   64    65    74    66    75    61    62  
   67    68    69    70    71    72    73    62    63    64    66    74  
   63    64    66    67    70    74  
    0  
   65    74    66    75  
   74    66  
   75    76    74  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
    0  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   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   268.000  1.529
   33    66   268.000  1.529
   38    39   340.000  1.090
   38    40   275.000  1.510
   38    41   320.000  1.410
   40    43   260.000  1.509
   40    47   335.000  1.432
   40    46   275.000  1.510
   43    44   340.000  1.088
   43    45   340.000  1.088
   43    47   335.000  1.432
   46    48   268.000  1.529
   46    66   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    74   320.000  1.410
   58    59   268.000  1.529
   58    61   317.000  1.510
   58    62   320.000  1.410
   59    60   340.000  1.090
   59    64   317.000  1.522
   59    66   268.000  1.529
   64    65   570.000  1.229
   64    74   214.000  1.327
   66    75   320.000  1.410
   75    76   553.000  0.945
   61    67   549.000  1.340
   61    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   553.000  0.945
   56    57   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    66    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.37300
   33    38    41    50.00000  109.50000
   33    66    46    58.35000  112.70000
   33    66    59    58.35000  112.70000
   33    66    75    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  120.94000
   38    40    47    80.00000  116.47100
   38    40    46    58.35000  112.70000
   38    41    42    55.00000  108.50000
   40    38    39    45.00000  109.38400
   40    43    44    37.50000  117.20000
   40    43    45    37.50000  117.20000
   40    43    47    15.00000   60.43100
   40    47    43    15.00000   59.14900
   40    46    48    70.00000  112.37300
   40    46    66    70.00000  112.37300
   40    46    50    70.00000  112.37300
   45    43    44    35.00000  114.30000
   47    40    43    15.00000   60.43100
   47    43    44    50.00000  114.27700
   47    43    45    50.00000  114.27700
   46    40    43    60.00000  120.94000
   46    40    47    80.00000  116.47100
   46    48    49    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    48    56    50.00000  109.50000
   46    66    59    58.35000  112.70000
   46    66    75    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    74    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    58.35000  112.70000
   54    58    61    70.00000  112.02700
   54    58    62    50.00000  109.50000
   54    74    64    83.00000  116.90000
   58    54    55    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    64    63.00000  111.10000
   58    59    66    58.35000  112.70000
   58    61    67    70.00000  124.00000
   58    61    70    65.00000  117.92700
   58    62    63    55.00000  108.50000
   59    64    65    80.00000  120.40000
   59    64    74    81.00000  111.40000
   59    66    75    50.00000  109.50000
   64    59    60    35.00000  109.50000
   74    54    55    35.00000  109.50000
   74    54    58    50.00000  109.50000
   74    64    65    83.00000  123.40000
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    46    48    58.35000  112.70000
   66    59    60    37.50000  110.70000
   66    59    64    63.00000  111.10000
   66    75    76    55.00000  108.50000
   61    58    59    70.00000  112.02700
   61    67    68    35.00000  120.00000
   61    67    69    35.00000  120.00000
   61    70    71    35.00000  109.50000
   61    70    72    35.00000  109.50000
   61    70    73    35.00000  109.50000
   69    67    68    35.00000  117.00000
   70    61    67    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    58    59    50.00000  109.50000
   62    58    61    90.00000  110.39200
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    46    48    58.35000  112.70000
   50    46    66    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    66    46   0.44750  1.0 1.0
   29    33    66    46  -0.17800 -1.0 2.0
   29    33    66    46   0.20200  1.0 3.0
   29    33    66    59   0.44750  1.0 1.0
   29    33    66    59  -0.17800 -1.0 2.0
   29    33    66    59   0.20200  1.0 3.0
   29    33    66    75   0.56750  1.0 1.0
   29    33    66    75  -0.07550 -1.0 2.0
   29    33    66    75   0.20000  1.0 3.0
   33    38    40    43   0.07850  1.0 1.0
   33    38    40    43  -0.03950 -1.0 2.0
   33    38    40    43   0.67350  1.0 3.0
   33    38    40    47   0.02550  1.0 1.0
   33    38    40    47  -0.02600 -1.0 2.0
   33    38    40    47   1.20400  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    66    75    76  -0.11600  1.0 1.0
   33    66    75    76  -0.09450 -1.0 2.0
   33    66    75    76   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    66    46   0.15000  1.0 3.0
   34    33    66    59   0.15000  1.0 3.0
   34    33    66    75   0.23400  1.0 3.0
   38    33   -66    46   0.56750  1.0 1.0
   38    33   -66    46  -0.07550 -1.0 2.0
   38    33   -66    46   0.20000  1.0 3.0
   38    33    66    59   0.56750  1.0 1.0
   38    33    66    59  -0.07550 -1.0 2.0
   38    33    66    59   0.20000  1.0 3.0
   38    33    66    75   0.86500  1.0 1.0
   38    33    66    75  -0.17500 -1.0 2.0
   38    33    66    75   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40   -43    47   0.02550  1.0 1.0
   38    40   -43    47  -0.02600 -1.0 2.0
   38    40   -43    47   1.20400  1.0 3.0
   38    40   -47    43   0.06250  1.0 1.0
   38    40   -47    43  -0.01100 -1.0 2.0
   38    40   -47    43   0.28050  1.0 3.0
   38    40    46    48   0.56750  1.0 1.0
   38    40    46    48  -0.07550 -1.0 2.0
   38    40    46    48   0.20000  1.0 3.0
   38    40   -46    66   0.56750  1.0 1.0
   38    40   -46    66  -0.07550 -1.0 2.0
   38    40   -46    66   0.20000  1.0 3.0
   38    40    46    50   0.56750  1.0 1.0
   38    40    46    50  -0.07550 -1.0 2.0
   38    40    46    50   0.20000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    54   0.47050  1.0 1.0
   40    46    48    54   0.03900 -1.0 2.0
   40    46    48    54   0.20100  1.0 3.0
   40    46    48    56   0.86500  1.0 1.0
   40    46    48    56  -0.17500 -1.0 2.0
   40    46    48    56   0.20800  1.0 3.0
   40    46   -66    33   0.47050  1.0 1.0
   40    46   -66    33   0.03900 -1.0 2.0
   40    46   -66    33   0.20100  1.0 3.0
   40    46    66    59   0.47050  1.0 1.0
   40    46    66    59   0.03900 -1.0 2.0
   40    46    66    59   0.20100  1.0 3.0
   40    46    66    75   0.86500  1.0 1.0
   40    46    66    75  -0.17500 -1.0 2.0
   40    46    66    75   0.20800  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    52   0.15000  1.0 3.0
   40    46    50    53   0.15000  1.0 3.0
   43    40    46    48   0.07850  1.0 1.0
   43    40    46    48  -0.03950 -1.0 2.0
   43    40    46    48   0.67350  1.0 3.0
   43    40    46    66   0.07850  1.0 1.0
   43    40    46    66  -0.03950 -1.0 2.0
   43    40    46    66   0.67350  1.0 3.0
   43    40    46    50   0.07850  1.0 1.0
   43    40    46    50  -0.03950 -1.0 2.0
   43    40    46    50   0.67350  1.0 3.0
   44    43   -47    40   0.36800  1.0 3.0
   45    43   -47    40   0.36800  1.0 3.0
   47    40   -43    44   0.23400  1.0 3.0
   47    40   -43    45   0.23400  1.0 3.0
   47    40    46    48   0.02550  1.0 1.0
   47    40    46    48  -0.02600 -1.0 2.0
   47    40    46    48   1.20400  1.0 3.0
   47    40    46    66   0.02550  1.0 1.0
   47    40    46    66  -0.02600 -1.0 2.0
   47    40    46    66   1.20400  1.0 3.0
   47    40    46    50   0.02550  1.0 1.0
   47    40    46    50  -0.02600 -1.0 2.0
   47    40    46    50   1.20400  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40   -43    47   0.02550  1.0 1.0
   46    40   -43    47  -0.02600 -1.0 2.0
   46    40   -43    47   1.20400  1.0 3.0
   46    40   -47    43   0.06250  1.0 1.0
   46    40   -47    43  -0.01100 -1.0 2.0
   46    40   -47    43   0.28050  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    58   0.56750  1.0 1.0
   46    48    54    58  -0.07550 -1.0 2.0
   46    48    54    58   0.20000  1.0 3.0
   46    48    54    74   0.62750  1.0 1.0
   46    48    54    74  -0.30950 -1.0 2.0
   46    48    54    74   0.27300  1.0 3.0
   46    48    56    57  -0.11600  1.0 1.0
   46    48    56    57  -0.09450 -1.0 2.0
   46    48    56    57   0.21250  1.0 3.0
   46    66    75    76  -0.11600  1.0 1.0
   46    66    75    76  -0.09450 -1.0 2.0
   46    66    75    76   0.21250  1.0 3.0
   48    46    66    33   0.56750  1.0 1.0
   48    46    66    33  -0.07550 -1.0 2.0
   48    46    66    33   0.20000  1.0 3.0
   48    46    66    59   0.56750  1.0 1.0
   48    46    66    59  -0.07550 -1.0 2.0
   48    46    66    59   0.20000  1.0 3.0
   48    46    66    75   0.86500  1.0 1.0
   48    46    66    75  -0.17500 -1.0 2.0
   48    46    66    75   0.20800  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    54   -58    59   0.56750  1.0 1.0
   48    54   -58    59  -0.07550 -1.0 2.0
   48    54   -58    59   0.20000  1.0 3.0
   48    54    58    61   0.34400  1.0 1.0
   48    54    58    61   0.09450 -1.0 2.0
   48    54    58    61   0.11100  1.0 3.0
   48    54    58    62   0.86500  1.0 1.0
   48    54    58    62  -0.17500 -1.0 2.0
   48    54    58    62   0.20800  1.0 3.0
   48    54    74    64  -0.25900  1.0 1.0
   48    54    74    64  -0.47000 -1.0 2.0
   48    54    74    64   0.11750  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   49    48    54    74   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    58    59    60   0.15000  1.0 3.0
   54    58   -59    64  -0.95700  1.0 1.0
   54    58   -59    64  -0.18200 -1.0 2.0
   54    58   -59    64   0.29450  1.0 3.0
   54    58    59    66   0.56750  1.0 1.0
   54    58    59    66  -0.07550 -1.0 2.0
   54    58    59    66   0.20000  1.0 3.0
   54    58    61    67   0.09850  1.0 1.0
   54    58    61    67   0.15250 -1.0 2.0
   54    58    61    67  -0.50650  1.0 3.0
   54    58    61    70   0.46850  1.0 1.0
   54    58    61    70   0.08550 -1.0 2.0
   54    58    61    70   0.09800  1.0 3.0
   54    58    62    63  -0.11600  1.0 1.0
   54    58    62    63  -0.09450 -1.0 2.0
   54    58    62    63   0.21250  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    58    62   0.23400  1.0 3.0
   55    54    74    64   0.08050  1.0 3.0
   58    54   -74    64  -0.25900  1.0 1.0
   58    54   -74    64  -0.47000 -1.0 2.0
   58    54   -74    64   0.11750  1.0 3.0
   58    59    64    65   0.30150 -1.0 2.0
   58    59   -64    74   0.36750  1.0 3.0
   58    59    66    33   0.56750  1.0 1.0
   58    59    66    33  -0.07550 -1.0 2.0
   58    59    66    33   0.20000  1.0 3.0
   58    59   -66    46   0.56750  1.0 1.0
   58    59   -66    46  -0.07550 -1.0 2.0
   58    59   -66    46   0.20000  1.0 3.0
   58    59    66    75   0.86500  1.0 1.0
   58    59    66    75  -0.17500 -1.0 2.0
   58    59    66    75   0.20800  1.0 3.0
   58    61    67    68   7.00000 -1.0 2.0
   58    61    67    69   7.00000 -1.0 2.0
   58    61    70    71   0.34800  1.0 3.0
   58    61    70    72   0.34800  1.0 3.0
   58    61    70    73   0.34800  1.0 3.0
   59    58    61    67   0.09850  1.0 1.0
   59    58    61    67   0.15250 -1.0 2.0
   59    58    61    67  -0.50650  1.0 3.0
   59    58    61    70   0.46850  1.0 1.0
   59    58    61    70   0.08550 -1.0 2.0
   59    58    61    70   0.09800  1.0 3.0
   59    58    62    63  -0.11600  1.0 1.0
   59    58    62    63  -0.09450 -1.0 2.0
   59    58    62    63   0.21250  1.0 3.0
   59    64   -74    54   1.63150  1.0 1.0
   59    64   -74    54   2.92000 -1.0 2.0
   59    66    75    76  -0.11600  1.0 1.0
   59    66    75    76  -0.09450 -1.0 2.0
   59    66    75    76   0.21250  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    74   0.00000  1.0 1.0
   60    59    66    33   0.15000  1.0 3.0
   60    59    66    46   0.15000  1.0 3.0
   60    59    66    75   0.23400  1.0 3.0
   64    59    66    33  -0.95700  1.0 1.0
   64    59    66    33  -0.18200 -1.0 2.0
   64    59    66    33   0.29450  1.0 3.0
   64    59    66    46  -0.95700  1.0 1.0
   64    59    66    46  -0.18200 -1.0 2.0
   64    59    66    46   0.29450  1.0 3.0
   64    59    66    75  -0.09450  1.0 1.0
   64    59    66    75  -1.12950 -1.0 2.0
   64    59    66    75   0.54000  1.0 3.0
   65    64    74    54   3.00000 -1.0 2.0
   74    54   -58    59   0.62750  1.0 1.0
   74    54   -58    59  -0.30950 -1.0 2.0
   74    54   -58    59   0.27300  1.0 3.0
   74    54    58    61   0.61850  1.0 1.0
   74    54    58    61  -0.22750 -1.0 2.0
   74    54    58    61   0.15300  1.0 3.0
   74    54    58    62   3.69350  1.0 1.0
   74    54    58    62  -1.82950 -1.0 2.0
   66    33    38    39   0.15000  1.0 3.0
   66    33   -38    40   0.47050  1.0 1.0
   66    33   -38    40   0.03900 -1.0 2.0
   66    33   -38    40   0.20100  1.0 3.0
   66    33    38    41   0.86500  1.0 1.0
   66    33    38    41  -0.17500 -1.0 2.0
   66    33    38    41   0.20800  1.0 3.0
   66    46    48    49   0.15000  1.0 3.0
   66    46   -48    54   0.56750  1.0 1.0
   66    46   -48    54  -0.07550 -1.0 2.0
   66    46   -48    54   0.20000  1.0 3.0
   66    46    48    56   0.86500  1.0 1.0
   66    46    48    56  -0.17500 -1.0 2.0
   66    46    48    56   0.20800  1.0 3.0
   66    46    50    51   0.15000  1.0 3.0
   66    46    50    52   0.15000  1.0 3.0
   66    46    50    53   0.15000  1.0 3.0
   66    59    64    65   0.30150 -1.0 2.0
   66    59    64    74   0.36750  1.0 3.0
   61    58    59    60   0.15000  1.0 3.0
   61    58    59    64  -0.98800  1.0 1.0
   61    58    59    64   0.48800 -1.0 2.0
   61    58    59    64   0.76800  1.0 3.0
   61    58    59    66   0.34400  1.0 1.0
   61    58    59    66   0.09450 -1.0 2.0
   61    58    59    66   0.11100  1.0 3.0
   61    58    62    63  -0.07800  1.0 1.0
   61    58    62    63  -0.21500 -1.0 2.0
   61    58    62    63  -0.03150  1.0 3.0
   67    61    70    71   0.00000  1.0 1.0
   67    61    70    72   0.00000  1.0 1.0
   67    61    70    73   0.00000  1.0 1.0
   70    61    67    68   7.00000 -1.0 2.0
   70    61    67    69   7.00000 -1.0 2.0
   62    58    59    60   0.23400  1.0 3.0
   62    58    59    64  -0.09450  1.0 1.0
   62    58    59    64  -1.12950 -1.0 2.0
   62    58    59    64   0.54000  1.0 3.0
   62    58    59    66   0.86500  1.0 1.0
   62    58    59    66  -0.17500 -1.0 2.0
   62    58    59    66   0.20800  1.0 3.0
   62    58    61    67   0.67800  1.0 1.0
   62    58    61    67   0.47050 -1.0 2.0
   62    58    61    67  -0.62500  1.0 3.0
   62    58    61    70   0.18000  1.0 1.0
   62    58    61    70   0.16450 -1.0 2.0
   62    58    61    70   0.04450  1.0 3.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    74   3.69350  1.0 1.0
   56    48    54    74  -1.82950 -1.0 2.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.56750  1.0 1.0
   50    46    48    54  -0.07550 -1.0 2.0
   50    46    48    54   0.20000  1.0 3.0
   50    46    48    56   0.86500  1.0 1.0
   50    46    48    56  -0.17500 -1.0 2.0
   50    46    48    56   0.20800  1.0 3.0
   50    46    66    33   0.56750  1.0 1.0
   50    46    66    33  -0.07550 -1.0 2.0
   50    46    66    33   0.20000  1.0 3.0
   50    46    66    59   0.56750  1.0 1.0
   50    46    66    59  -0.07550 -1.0 2.0
   50    46    66    59   0.20000  1.0 3.0
   50    46    66    75   0.86500  1.0 1.0
   50    46    66    75  -0.17500 -1.0 2.0
   50    46    66    75   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    47   3.69350  1.0 1.0
   41    38    40    47  -1.82950 -1.0 2.0
   41    38    40    46   0.86500  1.0 1.0
   41    38    40    46  -0.17500 -1.0 2.0
   41    38    40    46   0.20800  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
   59    74    64    65  10.50000 -1.0 2.0
   58    70    61    67  15.00000 -1.0 2.0
   68    69    67    61  15.00000 -1.0 2.0
END
