* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    152    228     442
    1     0 S   NP   _N1_     1    28.52248    94.23151   -23.39603
    2     1 S   H    _HN1     2     1.02949    79.92473    19.93558
    3     1 S   H    _H1_     3     1.02829    28.95724   179.59749
    4     1 S   H    _H2_     4     1.02792   108.21434   -86.22704
    5     1 S   CT   _CA1     5     1.50116   131.60073   128.37639
    6     5 S   HC   _HA1     6     1.09577   105.17397    83.01746
    7     5 S   CO3  _C1_     7     1.53769   112.45029   -37.16583
    8     7 S   O2Z  _O11     8     1.26369   115.00993   -43.28387
    9     7 S   O2Z  _O12     9     1.26240   114.93533   135.76267
   10     5 S   CT   _CB1    10     1.53069   107.41267  -159.06644
   11    10 S   HC   HB11    11     1.09836   109.29803   -50.05526
   12    10 S   HC   HB12    12     1.09810   110.49257    66.53487
   13    10 S   CT   _CG1    13     1.52996   112.61853  -171.03553
   14    13 S   HC   HG11    14     1.09583   110.65479   -66.85120
   15    13 S   HC   HG12    15     1.09674   109.76058    52.37329
   16    13 S   C    _CD1    16     1.51807   112.16456   172.77341
   17    16 S   O    _OE1    17     1.22746   123.27638     8.18388
   18    16 S   N    _N2_    18     1.38626   111.68137  -171.60852
   19    18 S   H    _HN2    19     1.01573   119.02688     1.17952
   20    18 S   CT1  _CA2    20     1.46194   123.45219   177.34982
   21    20 S   HC   _HA2    21     1.09745   109.16524     7.81706
   22    20 S   C    _C2_    22     1.53631   109.37021  -107.51986
   23    22 S   O    _O2_    23     1.23081   122.20870  -151.53000
   24    20 S   CT   _CB2    32     1.53315   111.31757   129.68000
   25    24 S   HC   HB21    33     1.09445   109.77910    53.42096
   26    24 S   HC   HB22    34     1.09334   109.98691   172.39984
   27    22 S   N    _N3_    24     1.38280   113.93017    36.46997
   28    27 S   H    _HN3    25     1.01538   119.61396    -3.92780
   29    24 S   S    _SG2    35     1.82900   110.79787   -68.19512
   30    27 S   CT   _CA3    26     1.45261   123.23583   176.51406
   31    30 S   HC   HA31    27     1.09553   107.54528   -63.53553
   32    30 S   HC   HA32    28     1.09554   107.95404    52.92149
   33    29 S   CT   _C21    36     1.86933   101.16971   171.80763
   34    33 S   OM   _O40    37     1.32250   108.29461   175.33805
   35    30 S   CO3  _C3_    29     1.52953   114.02199   174.90699
   36    35 S   O2Z  _O31    30     1.26384   116.05774    -0.00000
   37    35 S   O2Z  _O32    31     1.26417   114.42738  -179.96044
   38    33 S   CM   _C22    38     1.53686   105.92617   -71.98705
   39    38 S   HC   _H20    39     1.09640   111.98065   -58.39834
   40    33 S   CT   _C20    47     1.55097   111.73013    56.14682
   41    40 S   HC   _H18    48     1.10054   110.42634   175.39640
   42    40 S   HC   _H19    49     1.09664   109.62305   -67.35322
   43    38 S   CMA  _C23    40     1.36329   131.24246   120.33761
   44    43 S   OM   _O39    41     1.26437   129.65236     1.51103
   45    40 S   CO4  _C19    50     1.53744   118.64970    53.42382
   46    45 S   O    _O38    51     1.22989   123.61152    11.28969
   47    43 S   S    _S1_    42     1.81208   111.26935  -178.57577
   48    45 S   CT   _C18    52     1.52844   114.60954  -169.73113
   49    48 S   HC   _H16    53     1.09422   108.16734    55.34141
   50    48 S   HC   _H17    54     1.09604   108.41292   -60.15686
   51    47 S   CT   _C24    43     1.81175    98.73323    86.54142
   52    51 S   HC   _H21    44     1.09323   109.13842   179.24230
   53    51 S   HC   _H22    45     1.09347   110.63236    59.91160
   54    51 S   HC   _H23    46     1.09363   110.72059   -61.43385
   55    48 S   CM   _C9_    55     1.51225   111.68716   178.45389
   56    55 S   CM   _C8_    56     1.34717   124.59474   -91.02009
   57    56 S   CT   _C17    57     1.50164   124.62896   178.67677
   58    57 S   HC   _H3_    58     1.09734   108.43532  -127.72179
   59    56 S   CO4  _C7_    76     1.49105   119.40680     1.16617
   60    59 S   O    _O34    77     1.22920   120.49050   -77.56622
   61    57 S   CA   _C16    59     1.51386   115.02044    -6.74863
   62    57 S   OH   _O35    74     1.42815   107.63075   115.72696
   63    62 S   HO   _H13    75     0.97278   107.63817  -178.49598
   64    59 S   CT   _C6_    78     1.51032   117.19703   102.84685
   65    64 S   HC   _H7_    79     1.09483   110.63563    -1.58078
   66    64 S   HC   _H8_    80     1.09403   106.96002  -118.65997
   67    61 S   CA   _C11    60     1.40611   120.75702     6.94455
   68    64 S   CO4  _C5_    81     1.51030   114.21562   120.60045
   69    68 S   O    _O33    82     1.23029   122.38030   -22.22707
   70    67 S   CA   _C12    61     1.40568   119.73311   179.57250
   71    70 S   HA   _H11    62     1.08746   119.62804  -179.67135
   72    55 S   CT   _C10    71     1.51058   114.49780    88.49386
   73    72 S   HC   _H9_    72     1.09742   108.51049    66.42736
   74    72 S   HC   _H10    73     1.09775   108.36937   -50.45632
   75    68 S   CT   _C4_    83     1.50593   116.46222   159.69914
   76    75 S   HC   _H4_    84     1.09277   109.62337    56.23979
   77    75 S   HC   _H5_    85     1.09218   109.57630   -64.87611
   78    75 S   HC   _H6_    86     1.09350   109.71772   175.68570
   79    70 S   CA   _C13    63     1.39292   120.25225     0.50435
   80    79 S   CA   _C14    64     1.38856   120.75105    -0.17017
   81    80 S   HA   _H12    65     1.08600   119.99262  -179.95154
   82    79 S   OH   _O37    69     1.36623   121.06440   179.83929
   83    82 S   HO   _H15    70     0.97243   108.64065    -0.13848
   84    61 S   CA   _C15    66     1.40663   120.58907  -172.93903
   85    84 S   OH   _O36    67     1.37074   118.76590    -0.19180
   86    85 S   HO   _H14    68     0.97272   108.74029   179.22494
  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   9   5   4   3
  12   7   2   1   1   9   4   9   4   3   6   2   7   4   4  10
   4   3   3   2   1   1  13  16  13   6  10   4  14   3   1   8
   4   3  10   5   4  10   4   4   1   1   3   2   1   1   6   6
   3   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    49    50    55    43  
   42    45    46    48  
   45    46    48  
   44    47    51    52    53    54  
   47    51  
   46    48    49    50    55    56    72  
   48    49    50    55  
   51    52    53    54  
   49    50    55    56    57    67    72    73    74    59  
   50    55    56    72  
   55    56    72  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    61    67    70    72    73    74    62    59    60    64  
   57    58    61    67    84    72    73    74    62    63    59    60    64    65    66    68  
   58    61    67    70    80    84    85    72    62    63    59    60    64  
   61    67    84    62    63    59  
   60    64    65    66    68    69    75    61    62    72  
   64    65    66    68  
   67    70    71    79    80    81    84    85    86    72    73    74    62    63  
   63    67    84  
    0  
   65    66    68    69    75    76    77    78  
   66    68    69    75  
   68    69    75  
   70    71    79    80    84    85    82    72    73    74  
   69    75    76    77    78  
   75    76    77    78  
   71    79    80    81    84    82    83    72    73    74  
   79    80    82    72  
   73    74    79    84  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    84    85    82    83  
   81    84    85    86    82    83  
   84    85    82  
   83    84  
    0  
   85    86  
   86  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.012500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   240.000  1.763
   47    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   317.000  1.510
   55    56   549.000  1.340
   55    72   317.000  1.510
   56    57   317.000  1.510
   56    59   320.000  1.462
   57    58   340.000  1.090
   57    61   317.000  1.510
   57    62   320.000  1.410
   61    67   469.000  1.400
   61    84   469.000  1.400
   67    70   469.000  1.400
   67    72   317.000  1.510
   70    71   367.000  1.080
   70    79   469.000  1.400
   79    80   469.000  1.400
   79    82   450.000  1.364
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    85   450.000  1.364
   85    86   553.000  0.945
   82    83   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   62    63   553.000  0.945
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   570.000  1.229
   68    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.11800
   43    38    39    40.00000  120.50800
   43    47    51    85.00000  102.41200
   47    43    44    95.00000  113.88000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    55    70.00000  109.06800
   48    45    46    80.00000  120.40000
   48    55    56    70.00000  124.00000
   48    55    72    65.00000  117.92700
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    56    57    70.00000  124.00000
   55    56    59    65.00000  118.96000
   55    72    67    70.00000  112.99600
   55    72    73    35.00000  109.50000
   55    72    74    35.00000  109.50000
   56    57    58    35.00000  109.50000
   56    57    61    70.00000  112.99600
   56    57    62    90.00000  110.39200
   56    59    60    80.00000  123.72100
   56    59    64    65.00000  118.62400
   57    61    67    70.00000  120.00000
   57    61    84    70.00000  120.00000
   57    62    63    55.00000  108.50000
   61    57    58    35.00000  109.50000
   61    67    70    63.00000  120.00000
   61    67    72    70.00000  120.00000
   61    84    80    63.00000  120.00000
   61    84    85    70.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    79    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   70    79    80    63.00000  120.00000
   70    79    82    70.00000  120.00000
   79    70    71    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    84    63.00000  120.00000
   79    82    83    35.00000  113.00000
   80    84    85    70.00000  120.00000
   84    61    67    63.00000  120.00000
   84    80    81    35.00000  120.00000
   84    85    86    35.00000  113.00000
   82    79    80    70.00000  120.00000
   72    55    56    70.00000  124.00000
   72    67    70    70.00000  120.00000
   74    72    73    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    61    90.00000  112.51600
   59    56    57    65.00000  116.34900
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  107.99600
   64    59    60    80.00000  120.40000
   64    68    69    80.00000  120.40000
   64    68    75    70.00000  116.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   75    68    69    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.60050  1.0 1.0
   33    40    45    48   0.05600 -1.0 2.0
   33    40    45    48   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    51   1.00000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.24000  1.0 3.0
   43    47    51    53   0.24000  1.0 3.0
   43    47    51    54   0.24000  1.0 3.0
   44    43    47    51   1.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.65300  1.0 1.0
   40    45    48    55  -0.03850 -1.0 2.0
   40    45    48    55   0.33900  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56  -0.51250  1.0 1.0
   45    48    55    56  -0.88800 -1.0 2.0
   45    48    55    56   0.08850  1.0 3.0
   45    48    55    72   0.17250  1.0 1.0
   45    48    55    72  -0.04100 -1.0 2.0
   45    48    55    72  -0.33850  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    55   0.30150 -1.0 2.0
   48    55    56    57   7.00000 -1.0 2.0
   48    55    56    59   7.00000 -1.0 2.0
   48    55    72    67   0.09700  1.0 1.0
   48    55    72    67   0.15600 -1.0 2.0
   48    55    72    67  -0.50800  1.0 3.0
   48    55    72    73   0.34800  1.0 3.0
   48    55    72    74   0.34800  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    72   0.34800  1.0 3.0
   50    48    55    56   0.00000  1.0 1.0
   50    48    55    72   0.34800  1.0 3.0
   55    56    57    58   0.00000  1.0 1.0
   55    56    57    61   1.44450  1.0 1.0
   55    56    57    61   0.06600 -1.0 2.0
   55    56    57    61   0.29250  1.0 3.0
   55    56    57    62   0.67800  1.0 1.0
   55    56    57    62   0.47050 -1.0 2.0
   55    56    57    62  -0.62500  1.0 3.0
   55    56    59    60   1.00000 -1.0 2.0
   55    56    59    64  -0.33500  1.0 1.0
   55    56    59    64   1.06600 -1.0 2.0
   55    56    59    64  -0.14000  1.0 3.0
   56    55    72    67   1.44450  1.0 1.0
   56    55    72    67   0.06600 -1.0 2.0
   56    55    72    67   0.29250  1.0 3.0
   56    55    72    73   0.00000  1.0 1.0
   56    55    72    74   0.00000  1.0 1.0
   56    57   -61    67   0.18050 -1.0 2.0
   56    57    61    84   0.18050 -1.0 2.0
   56    57    62    63  -0.07800  1.0 1.0
   56    57    62    63  -0.21500 -1.0 2.0
   56    57    62    63  -0.03150  1.0 3.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.00000  1.0 1.0
   56    59    64    68   0.65300  1.0 1.0
   56    59    64    68  -0.03850 -1.0 2.0
   56    59    64    68   0.33900  1.0 3.0
   57    56    59    60  -0.64400  1.0 1.0
   57    56    59    60   0.26850 -1.0 2.0
   57    56    59    64   0.25700  1.0 1.0
   57    56    59    64   0.66200 -1.0 2.0
   57    56    59    64   0.04450  1.0 3.0
   57    61    67    70   3.62500 -1.0 2.0
   57    61    67    72   3.62500 -1.0 2.0
   57    61    84    80   3.62500 -1.0 2.0
   57    61    84    85   3.62500 -1.0 2.0
   58    57    61    67   0.00000  1.0 1.0
   58    57    61    84   0.00000  1.0 1.0
   58    57    62    63   0.19450  1.0 3.0
   61    57    62    63   0.31900  1.0 1.0
   61    57    62    63  -0.11800 -1.0 2.0
   61    57    62    63   0.38750  1.0 3.0
   61    67    70    71   3.62500 -1.0 2.0
   61    67    70    79   3.62500 -1.0 2.0
   61    67   -72    55   0.18050 -1.0 2.0
   61    67    72    73   0.00000  1.0 1.0
   61    67    72    74   0.00000  1.0 1.0
   61    84    85    86   0.84100 -1.0 2.0
   67    61    84    80   3.62500 -1.0 2.0
   67    61    84    85   3.62500 -1.0 2.0
   67    70   -79    80   3.62500 -1.0 2.0
   67    70    79    82   3.62500 -1.0 2.0
   70    67    72    55   0.18050 -1.0 2.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    79    80    81   3.62500 -1.0 2.0
   70    79    80    84   3.62500 -1.0 2.0
   70    79    82    83   0.84100 -1.0 2.0
   71    70    79    80   3.62500 -1.0 2.0
   71    70    79    82   3.62500 -1.0 2.0
   79    80   -84    61   3.62500 -1.0 2.0
   79    80    84    85   3.62500 -1.0 2.0
   80    79    82    83   0.84100 -1.0 2.0
   80    84    85    86   0.84100 -1.0 2.0
   81    80    84    61   3.62500 -1.0 2.0
   81    80    84    85   3.62500 -1.0 2.0
   84    61   -67    70   3.62500 -1.0 2.0
   84    61    67    72   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    79    80    84   3.62500 -1.0 2.0
   72    55   -56    57   7.00000 -1.0 2.0
   72    55    56    59   7.00000 -1.0 2.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    79   3.62500 -1.0 2.0
   62    57    61    67   0.14300 -1.0 2.0
   62    57    61    67   0.00300  1.0 3.0
   62    57    61    84   0.14300 -1.0 2.0
   62    57    61    84   0.00300  1.0 3.0
   59    56    57    58   0.15000  1.0 3.0
   59    56    57    61   0.09700  1.0 1.0
   59    56    57    61   0.15600 -1.0 2.0
   59    56    57    61  -0.50800  1.0 3.0
   59    56    57    62   0.09700  1.0 1.0
   59    56    57    62   0.15600 -1.0 2.0
   59    56    57    62  -0.50800  1.0 3.0
   59    64    68    69   0.30150 -1.0 2.0
   59    64    68    75   0.65300  1.0 1.0
   59    64    68    75  -0.03850 -1.0 2.0
   59    64    68    75   0.33900  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    68   0.30150 -1.0 2.0
   64    68    75    76   0.00000  1.0 1.0
   64    68    75    77   0.00000  1.0 1.0
   64    68    75    78   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    75   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    75   0.00000  1.0 1.0
   69    68    75    76   0.00000  1.0 1.0
   69    68    75    77   0.00000  1.0 1.0
   69    68    75    78   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   44    47    43    38  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   48    72    55    56   1.10000 -1.0 2.0
   59    57    56    55   1.10000 -1.0 2.0
   67    84    61    57   4.00000 -1.0 2.0
   70    72    67    61   4.00000 -1.0 2.0
   79    71    70    67   1.10000 -1.0 2.0
   80    82    79    70   4.00000 -1.0 2.0
   84    81    80    79   1.10000 -1.0 2.0
   80    85    84    61   4.00000 -1.0 2.0
   56    64    59    60  10.50000 -1.0 2.0
   64    75    68    69  10.50000 -1.0 2.0
END
