* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    149    248     449
    1     0 S   NP   _N1_     1    28.01994    97.04991   -23.67092
    2     1 S   H    _HN1     2     1.02777   109.77066  -103.80166
    3     1 S   H    _H1_     3     1.02958    72.53435    -0.06561
    4     1 S   H    _H2_     4     1.02836    36.03615   162.70643
    5     1 S   CT   _CA1     5     1.50149   133.81981   101.70513
    6     5 S   HC   _HA1     6     1.09577   105.19218    92.55120
    7     5 S   CO3  _C1_     7     1.53768   112.33034   -27.58770
    8     7 S   O2Z  _O11     8     1.26366   114.98759   -44.17567
    9     7 S   O2Z  _O12     9     1.26232   114.92374   134.79340
   10     5 S   CT   _CB1    10     1.53086   107.40769  -149.58621
   11    10 S   HC   HB11    11     1.09830   109.26804   -50.53742
   12    10 S   HC   HB12    12     1.09815   110.45542    65.99341
   13    10 S   CT   _CG1    13     1.53038   112.71440  -171.60464
   14    13 S   HC   HG11    14     1.09592   110.51704   -65.52626
   15    13 S   HC   HG12    15     1.09660   109.89399    53.69103
   16    13 S   C    _CD1    16     1.51857   112.24554   174.01097
   17    16 S   O    _OE1    17     1.22766   123.25417     2.11905
   18    16 S   N    _N2_    18     1.38569   111.78958  -177.78300
   19    18 S   H    _HN2    19     1.01560   119.09757     3.68631
   20    18 S   CT1  _CA2    20     1.45821   122.77918   177.55992
   21    20 S   HC   _HA2    21     1.09742   108.84500    25.98736
   22    20 S   C    _C2_    22     1.52985   107.09138   -90.95687
   23    22 S   O    _O2_    23     1.22979   123.10065   -25.62887
   24    20 S   CT   _CB2    32     1.53197   112.38165   149.13501
   25    24 S   HC   HB21    33     1.09598   110.35619    54.55948
   26    24 S   HC   HB22    34     1.09412   109.88427   173.32556
   27    22 S   N    _N3_    24     1.38520   112.55325   157.04608
   28    27 S   H    _HN3    25     1.01663   120.31779    -2.19196
   29    24 S   S    _SG2    35     1.82570   111.16040   -65.99185
   30    27 S   CT   _CA3    26     1.45361   122.48611   178.58861
   31    30 S   HC   HA31    27     1.09567   107.91066   -53.91819
   32    30 S   HC   HA32    28     1.09563   107.51480    62.41949
   33    29 S   CT   _C12    36     1.83513    99.78229  -176.88737
   34    33 S   HC   _H7_    37     1.10036   102.74625   -44.19195
   35    30 S   CO3  _C3_    29     1.52892   114.33650  -175.82909
   36    35 S   O2Z  _O31    30     1.26336   116.05419     2.19695
   37    35 S   O2Z  _O32    31     1.26441   114.41236  -177.88493
   38    33 S   CT   _C11    38     1.53906   114.19356    70.12894
   39    38 S   HC   _H11    39     1.09978   107.61212  -132.01216
   40    38 S   HC   _H12    40     1.09494   114.12060   -15.90995
   41    38 S   CT   _C10    41     1.54212   108.92509   109.97311
   42    41 S   CT   _C9_    42     1.55238   113.53105  -104.63330
   43    42 S   HC   _H6_    43     1.09556   112.25323   -70.50874
   44    41 S   CT   _C5_    64     1.57196   104.52524    24.13043
   45    41 S   OH   _O36    74     1.43841   105.90164   140.88101
   46    45 S   HO   _H13    75     0.97245   108.22156    56.93072
   47    42 S   CO4  _C15    44     1.50587   111.16282    52.22969
   48    47 S   O    _O37    45     1.21923   126.58465   -98.36483
   49    33 S   CT   _C13    65     1.54680   116.47063  -165.29595
   50    49 S   OM   _O35    66     1.32583   108.22656   114.50145
   51    44 S   CT   _C4_    70     1.56094   111.65012   103.84071
   52    51 S   HC   _H8_    71     1.09671   111.35467   -60.09431
   53    51 S   HC   _H9_    72     1.09684   111.56494   178.80188
   54    51 S   HC   _H10    73     1.08996   112.94716    59.69297
   55    47 S   OS   _O38    46     1.37046   107.69728    83.63023
   56    49 S   CO4  _C14    67     1.52679   120.79092    -2.08112
   57    56 S   O    _O33    68     1.22403   127.32217    53.23107
   58    55 S   CT   _C7_    47     1.45019   107.93400     7.91579
   59    58 S   HC   _H4_    48     1.09477   106.74000   144.18252
   60    63 S   OS   _O34    69     1.43567   106.46454   -52.50296
   61    42 S   CT   _C8_    49     1.53519   116.37919   161.27175
   62    61 S   HC   _H5_    50     1.10542   105.87005  -176.18823
   63    58 S   CT   _C6_    62     1.53854   109.60355   -95.66152
   64    63 S   HC   _H3_    63     1.09592   108.09069  -166.80225
   65    61 S   CT   _C16    51     1.54086   121.90576    65.24625
   66    65 S   CT   _C17    52     1.53627   110.00981   176.17684
   67    66 S   HC   _H14    53     1.09644   110.90010  -178.41625
   68    66 S   HC   _H15    54     1.09557   111.10248    63.96172
   69    66 S   HC   _H16    55     1.09490   111.77198   -57.60878
   70    65 S   CT   _C18    56     1.53416   110.62633    55.44756
   71    70 S   HC   _H17    57     1.09635   110.92068   177.34104
   72    70 S   HC   _H18    58     1.09463   111.35326   -64.92733
   73    70 S   HC   _H19    59     1.09493   111.63372    56.60889
   74    65 S   OH   _O39    60     1.41396   112.08462   -65.26293
   75    74 S   HO   _H20    61     0.97229   108.73934   176.75496
  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
  15   8   2   1   1  15   6   5  22  18   9  18   6   1   8   3
  11   5   8   3   2   1   8   5   2  10   6   3  14   5   2   1
  10   9   4   3   2   5   3   2   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    63    44    49    50    56    57    60    51    45  
   38    39    40    41    44    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    47    61    63    44    49    50    56    51    45    46  
   40    41    42    44    49    45  
   41    42    44    49    45  
   42    43    47    48    55    58    61    62    65    63    64    44    49    50    56    60    51    52    53    54    45    46  
   43    47    48    55    58    59    61    62    65    66    70    74    63    44    49    51    45    46  
   47    48    55    58    61    62    65    44    45  
   49    50    56    57    60    51    52    53    54    45    46    47    55    58    59    61    63    64  
   46    47    49    51    61    63  
    0  
   48    55    58    59    61    62    65    63  
   55    58    61  
   50    56    57    60    51    52    53    54    58    63    64  
   56    57    60    51    63  
   52    53    54    56    58    60    63    64  
   53    54    63  
   54    63  
   63  
   58    59    61    62    65    63    64    60  
   57    60    58    63    64  
   60    63  
   59    61    62    65    66    70    74    63    64    60  
   61    62    65    63    64    60  
   61    63    64  
   62    65    66    67    68    69    70    71    72    73    74    75    63    64  
   65    66    70    74    63  
   64    65  
    0  
   66    67    68    69    70    71    72    73    74    75  
   67    68    69    70    71    72    73    74    75  
   68    69    70    74  
   69    70    74  
   70    74  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   75  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    45   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.522
   42    61   268.000  1.529
   47    48   570.000  1.229
   47    55   214.000  1.327
   55    58   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   65    66   268.000  1.529
   65    70   268.000  1.529
   65    74   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    44   268.000  1.529
   63    60   320.000  1.410
   44    49   268.000  1.529
   44    51   268.000  1.529
   49    50   570.000  1.307
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    60   214.000  1.327
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    50    50.00000  109.50000
   33    49    56    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    47    63.00000  111.10000
   41    42    61    58.35000  112.70000
   41    44    63    58.35000  112.70000
   41    44    49    58.35000  112.70000
   41    44    51    58.35000  112.70000
   41    45    46    55.00000  108.50000
   42    47    48    80.00000  120.40000
   42    47    55    81.00000  111.40000
   42    61    58    58.35000  112.70000
   42    61    62    37.50000  110.70000
   42    61    65    58.35000  112.70000
   47    42    43    35.00000  109.50000
   47    55    58    83.00000  116.90000
   55    47    48    83.00000  123.40000
   55    58    59    35.00000  109.50000
   55    58    61    50.00000  109.50000
   55    58    63    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    65    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    44    58.35000  112.70000
   58    63    60    50.00000  109.50000
   61    42    43    37.50000  110.70000
   61    42    47    63.00000  111.10000
   61    58    59    37.50000  110.70000
   61    65    66    58.35000  112.70000
   61    65    70    58.35000  112.70000
   61    65    74    50.00000  109.50000
   65    61    62    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    69    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   65    74    75    55.00000  108.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    66    50.00000  109.50000
   74    65    70    50.00000  109.50000
   63    58    59    37.50000  110.70000
   63    58    61    58.35000  112.70000
   63    44    49    58.35000  112.70000
   63    44    51    58.35000  112.70000
   63    60    56    83.00000  116.90000
   44    41    42    58.35000  112.70000
   44    63    64    37.50000  110.70000
   44    49    50    50.00000  109.50000
   44    49    56    63.00000  111.10000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    60    81.00000  111.40000
   56    49    50    90.00000  108.74100
   60    63    64    35.00000  109.50000
   60    63    44    50.00000  109.50000
   60    56    57    83.00000  123.40000
   51    44    49    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
   45    41    42    50.00000  109.50000
   45    41    44    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.56750  1.0 1.0
   33    38    41    42  -0.07550 -1.0 2.0
   33    38    41    42   0.20000  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   33    49    56    57   0.30150 -1.0 2.0
   33    49    56    60   0.36750  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   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56  -0.11250  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    50   0.62750  1.0 1.0
   38    33    49    50  -0.30950 -1.0 2.0
   38    33    49    50   0.27300  1.0 3.0
   38    33    49    56  -0.95700  1.0 1.0
   38    33    49    56  -0.18200 -1.0 2.0
   38    33    49    56   0.29450  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    47  -0.95700  1.0 1.0
   38    41    42    47  -0.18200 -1.0 2.0
   38    41    42    47   0.29450  1.0 3.0
   38    41    42    61   0.56750  1.0 1.0
   38    41    42    61  -0.07550 -1.0 2.0
   38    41    42    61   0.20000  1.0 3.0
   38    41    44    63   0.56750  1.0 1.0
   38    41    44    63  -0.07550 -1.0 2.0
   38    41    44    63   0.20000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   38    41    44    51   0.56750  1.0 1.0
   38    41    44    51  -0.07550 -1.0 2.0
   38    41    44    51   0.20000  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    42    47    48   0.30150 -1.0 2.0
   41    42    47    55   0.36750  1.0 3.0
   41    42    61    58   0.56750  1.0 1.0
   41    42    61    58  -0.07550 -1.0 2.0
   41    42    61    58   0.20000  1.0 3.0
   41    42    61    62   0.15000  1.0 3.0
   41    42    61    65   0.56750  1.0 1.0
   41    42    61    65  -0.07550 -1.0 2.0
   41    42    61    65   0.20000  1.0 3.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    50   0.62750  1.0 1.0
   41    44    49    50  -0.30950 -1.0 2.0
   41    44    49    50   0.27300  1.0 3.0
   41    44    49    56  -0.95700  1.0 1.0
   41    44    49    56  -0.18200 -1.0 2.0
   41    44    49    56   0.29450  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    54   0.15000  1.0 3.0
   42    41    44    63   0.56750  1.0 1.0
   42    41    44    63  -0.07550 -1.0 2.0
   42    41    44    63   0.20000  1.0 3.0
   42    41    44    49   0.56750  1.0 1.0
   42    41    44    49  -0.07550 -1.0 2.0
   42    41    44    49   0.20000  1.0 3.0
   42    41    44    51   0.56750  1.0 1.0
   42    41    44    51  -0.07550 -1.0 2.0
   42    41    44    51   0.20000  1.0 3.0
   42    41    45    46  -0.11600  1.0 1.0
   42    41    45    46  -0.09450 -1.0 2.0
   42    41    45    46   0.21250  1.0 3.0
   42    47   -55    58   1.63150  1.0 1.0
   42    47   -55    58   2.92000 -1.0 2.0
   42    61    65    66   0.56750  1.0 1.0
   42    61    65    66  -0.07550 -1.0 2.0
   42    61    65    66   0.20000  1.0 3.0
   42    61    65    70   0.56750  1.0 1.0
   42    61    65    70  -0.07550 -1.0 2.0
   42    61    65    70   0.20000  1.0 3.0
   42    61    65    74   0.86500  1.0 1.0
   42    61    65    74  -0.17500 -1.0 2.0
   42    61    65    74   0.20800  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    55   0.00000  1.0 1.0
   43    42    61    58   0.15000  1.0 3.0
   43    42    61    62   0.15000  1.0 3.0
   43    42    61    65   0.15000  1.0 3.0
   47    42   -61    58  -0.95700  1.0 1.0
   47    42   -61    58  -0.18200 -1.0 2.0
   47    42   -61    58   0.29450  1.0 3.0
   47    42    61    62  -0.11250  1.0 3.0
   47    42    61    65  -0.95700  1.0 1.0
   47    42    61    65  -0.18200 -1.0 2.0
   47    42    61    65   0.29450  1.0 3.0
   47    55    58    59   0.08050  1.0 3.0
   47    55   -58    61  -0.25900  1.0 1.0
   47    55   -58    61  -0.47000 -1.0 2.0
   47    55   -58    61   0.11750  1.0 3.0
   47    55    58    63  -0.25900  1.0 1.0
   47    55    58    63  -0.47000 -1.0 2.0
   47    55    58    63   0.11750  1.0 3.0
   48    47    55    58   3.00000 -1.0 2.0
   55    58   -61    42   0.62750  1.0 1.0
   55    58   -61    42  -0.30950 -1.0 2.0
   55    58   -61    42   0.27300  1.0 3.0
   55    58    61    62   0.23400  1.0 3.0
   55    58    61    65   0.62750  1.0 1.0
   55    58    61    65  -0.30950 -1.0 2.0
   55    58    61    65   0.27300  1.0 3.0
   55    58    63    64   0.23400  1.0 3.0
   55    58    63    44   0.62750  1.0 1.0
   55    58    63    44  -0.30950 -1.0 2.0
   55    58    63    44   0.27300  1.0 3.0
   55    58    63    60   1.11900  1.0 1.0
   55    58    63    60  -1.16350 -1.0 2.0
   55    58    63    60  -0.34150  1.0 3.0
   58    61    65    66   0.56750  1.0 1.0
   58    61    65    66  -0.07550 -1.0 2.0
   58    61    65    66   0.20000  1.0 3.0
   58    61    65    70   0.56750  1.0 1.0
   58    61    65    70  -0.07550 -1.0 2.0
   58    61    65    70   0.20000  1.0 3.0
   58    61    65    74   0.86500  1.0 1.0
   58    61    65    74  -0.17500 -1.0 2.0
   58    61    65    74   0.20800  1.0 3.0
   58    63   -44    41   0.56750  1.0 1.0
   58    63   -44    41  -0.07550 -1.0 2.0
   58    63   -44    41   0.20000  1.0 3.0
   58    63    44    49   0.56750  1.0 1.0
   58    63    44    49  -0.07550 -1.0 2.0
   58    63    44    49   0.20000  1.0 3.0
   58    63    44    51   0.56750  1.0 1.0
   58    63    44    51  -0.07550 -1.0 2.0
   58    63    44    51   0.20000  1.0 3.0
   58    63    60    56  -0.25900  1.0 1.0
   58    63    60    56  -0.47000 -1.0 2.0
   58    63    60    56   0.11750  1.0 3.0
   59    58    61    42   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    44   0.15000  1.0 3.0
   59    58    63    60   0.23400  1.0 3.0
   61    42    47    48   0.30150 -1.0 2.0
   61    42   -47    55   0.36750  1.0 3.0
   61    58    63    64   0.15000  1.0 3.0
   61    58    63    44   0.56750  1.0 1.0
   61    58    63    44  -0.07550 -1.0 2.0
   61    58    63    44   0.20000  1.0 3.0
   61    58    63    60   0.62750  1.0 1.0
   61    58    63    60  -0.30950 -1.0 2.0
   61    58    63    60   0.27300  1.0 3.0
   61    65    66    67   0.15000  1.0 3.0
   61    65    66    68   0.15000  1.0 3.0
   61    65    66    69   0.15000  1.0 3.0
   61    65    70    71   0.15000  1.0 3.0
   61    65    70    72   0.15000  1.0 3.0
   61    65    70    73   0.15000  1.0 3.0
   61    65    74    75  -0.11600  1.0 1.0
   61    65    74    75  -0.09450 -1.0 2.0
   61    65    74    75   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   62    61    65    74   0.23400  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   66    65    74    75  -0.11600  1.0 1.0
   66    65    74    75  -0.09450 -1.0 2.0
   66    65    74    75   0.21250  1.0 3.0
   70    65    66    67   0.15000  1.0 3.0
   70    65    66    68   0.15000  1.0 3.0
   70    65    66    69   0.15000  1.0 3.0
   70    65    74    75  -0.11600  1.0 1.0
   70    65    74    75  -0.09450 -1.0 2.0
   70    65    74    75   0.21250  1.0 3.0
   74    65    66    67   0.23400  1.0 3.0
   74    65    66    68   0.23400  1.0 3.0
   74    65    66    69   0.23400  1.0 3.0
   74    65    70    71   0.23400  1.0 3.0
   74    65    70    72   0.23400  1.0 3.0
   74    65    70    73   0.23400  1.0 3.0
   63    58   -61    42   0.56750  1.0 1.0
   63    58   -61    42  -0.07550 -1.0 2.0
   63    58   -61    42   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    65   0.56750  1.0 1.0
   63    58    61    65  -0.07550 -1.0 2.0
   63    58    61    65   0.20000  1.0 3.0
   63    44    49    33   0.56750  1.0 1.0
   63    44    49    33  -0.07550 -1.0 2.0
   63    44    49    33   0.20000  1.0 3.0
   63    44    49    50   0.62750  1.0 1.0
   63    44    49    50  -0.30950 -1.0 2.0
   63    44    49    50   0.27300  1.0 3.0
   63    44   -49    56  -0.95700  1.0 1.0
   63    44   -49    56  -0.18200 -1.0 2.0
   63    44   -49    56   0.29450  1.0 3.0
   63    44    51    52   0.15000  1.0 3.0
   63    44    51    53   0.15000  1.0 3.0
   63    44    51    54   0.15000  1.0 3.0
   64    63    44    41   0.15000  1.0 3.0
   64    63    44    49   0.15000  1.0 3.0
   64    63    44    51   0.15000  1.0 3.0
   64    63    60    56   0.08050  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    47  -0.95700  1.0 1.0
   44    41    42    47  -0.18200 -1.0 2.0
   44    41    42    47   0.29450  1.0 3.0
   44    41   -42    61   0.56750  1.0 1.0
   44    41   -42    61  -0.07550 -1.0 2.0
   44    41   -42    61   0.20000  1.0 3.0
   44    41    45    46  -0.11600  1.0 1.0
   44    41    45    46  -0.09450 -1.0 2.0
   44    41    45    46   0.21250  1.0 3.0
   44    63   -60    56  -0.25900  1.0 1.0
   44    63   -60    56  -0.47000 -1.0 2.0
   44    63   -60    56   0.11750  1.0 3.0
   44    49    56    57   0.30150 -1.0 2.0
   44    49   -56    60   0.36750  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    54   0.15000  1.0 3.0
   49    56   -60    63   1.63150  1.0 1.0
   49    56   -60    63   2.92000 -1.0 2.0
   50    49    56    57   0.30150 -1.0 2.0
   50    49    56    60   0.40000  1.0 3.0
   57    56    60    63   3.00000 -1.0 2.0
   60    63    44    41   0.62750  1.0 1.0
   60    63    44    41  -0.30950 -1.0 2.0
   60    63    44    41   0.27300  1.0 3.0
   60    63   -44    49   0.62750  1.0 1.0
   60    63   -44    49  -0.30950 -1.0 2.0
   60    63   -44    49   0.27300  1.0 3.0
   60    63    44    51   0.62750  1.0 1.0
   60    63    44    51  -0.30950 -1.0 2.0
   60    63    44    51   0.27300  1.0 3.0
   51    44    49    33   0.56750  1.0 1.0
   51    44    49    33  -0.07550 -1.0 2.0
   51    44    49    33   0.20000  1.0 3.0
   51    44    49    50   0.62750  1.0 1.0
   51    44    49    50  -0.30950 -1.0 2.0
   51    44    49    50   0.27300  1.0 3.0
   51    44    49    56  -0.95700  1.0 1.0
   51    44    49    56  -0.18200 -1.0 2.0
   51    44    49    56   0.29450  1.0 3.0
   45    41    42    43   0.23400  1.0 3.0
   45    41    42    47  -0.09450  1.0 1.0
   45    41    42    47  -1.12950 -1.0 2.0
   45    41    42    47   0.54000  1.0 3.0
   45    41    42    61   0.86500  1.0 1.0
   45    41    42    61  -0.17500 -1.0 2.0
   45    41    42    61   0.20800  1.0 3.0
   45    41    44    63   0.86500  1.0 1.0
   45    41    44    63  -0.17500 -1.0 2.0
   45    41    44    63   0.20800  1.0 3.0
   45    41    44    49   0.86500  1.0 1.0
   45    41    44    49  -0.17500 -1.0 2.0
   45    41    44    49   0.20800  1.0 3.0
   45    41    44    51   0.86500  1.0 1.0
   45    41    44    51  -0.17500 -1.0 2.0
   45    41    44    51   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
   42    55    47    48  10.50000 -1.0 2.0
   49    60    56    57  10.50000 -1.0 2.0
END
