* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    227     443
    1     0 S   NP   _N1_     1    29.16337    95.44485   -26.46895
    2     1 S   H    _HN1     2     1.02821   123.79938   -95.25500
    3     1 S   H    _H1_     3     1.02958    74.04323     6.31910
    4     1 S   H    _H2_     4     1.02825    33.44278  -164.98975
    5     1 S   CT   _CA1     5     1.50180   119.31099   111.21885
    6     5 S   HC   _HA1     6     1.09572   105.12528    95.09946
    7     5 S   CO3  _C1_     7     1.53704   112.48793   -25.02109
    8     7 S   O2Z  _O11     8     1.26326   115.26038   -41.86777
    9     7 S   O2Z  _O12     9     1.26337   115.20690   136.77103
   10     5 S   CT   _CB1    10     1.53049   107.31863  -146.97778
   11    10 S   HC   HB11    11     1.09844   109.30677   -48.67684
   12    10 S   HC   HB12    12     1.09810   110.47102    67.90163
   13    10 S   CT   _CG1    13     1.53018   112.71136  -169.59516
   14    13 S   HC   HG11    14     1.09571   110.71740   -67.91549
   15    13 S   HC   HG12    15     1.09670   109.71430    51.33251
   16    13 S   C    _CD1    16     1.51866   111.92985   171.75497
   17    16 S   O    _OE1    17     1.22753   123.15693    12.50421
   18    16 S   N    _N2_    18     1.38617   111.85807  -167.60201
   19    18 S   H    _HN2    19     1.01579   119.00503     1.03514
   20    18 S   CT1  _CA2    20     1.46277   123.41552   176.40599
   21    20 S   HC   _HA2    21     1.09737   109.36336     5.14834
   22    20 S   C    _C2_    22     1.53617   108.68009  -110.30854
   23    22 S   O    _O2_    23     1.23066   122.26439  -148.49006
   24    20 S   CT   _CB2    32     1.53293   111.47042   127.24882
   25    24 S   HC   HB21    33     1.09469   109.82305    55.78180
   26    24 S   HC   HB22    34     1.09518   110.44790   174.69747
   27    22 S   N    _N3_    24     1.38323   113.76690    39.01022
   28    27 S   H    _HN3    25     1.01559   119.59179    -3.24359
   29    24 S   S    _SG2    35     1.82640   111.35430   -65.79497
   30    27 S   CT   _CA3    26     1.45282   123.29720   177.22434
   31    30 S   HC   HA31    27     1.09547   107.51157   -64.87169
   32    30 S   HC   HA32    28     1.09554   108.00087    51.59153
   33    29 S   CT   _C7_    36     1.81029    99.38866   173.69936
   34    33 S   HC   _H3_    37     1.09342   112.96159    40.56598
   35    30 S   CO3  _C3_    29     1.52979   114.02387   173.58993
   36    35 S   O2Z  _O31    30     1.26388   116.07032    -0.48335
   37    35 S   O2Z  _O32    31     1.26424   114.42309   179.57067
   38    33 S   CM   _C4_    38     1.49745   110.35228   165.44409
   39    38 S   HC   _H6_    39     1.08275   123.10001   -63.92493
   40    38 S   CMA  _C5_    40     1.34244   112.92842   116.68111
   41    40 S   OM   _O40    41     1.25507   133.77232  -179.92598
   42    40 S   N    _N4_    42     1.38689   107.98400     0.10835
   43    33 S   C    _C6_    43     1.51845   110.56429   -84.52941
   44    43 S   O    _O33    44     1.22395   125.41793    62.83967
   45    42 S   CT   _C8_    45     1.46186   126.87672  -177.09202
   46    45 S   HC   _H7_    46     1.09594   106.99717  -151.67255
   47    45 S   HC   _H8_    47     1.09599   110.02972   -35.85308
   48    45 S   CT   _C9_    48     1.52756   110.87821    88.40726
   49    48 S   HC   _H9_    49     1.09525   110.05485   -61.27285
   50    48 S   HC   _H10    50     1.09573   111.05980    56.39165
   51    48 S   S    _S1_    51     1.82207   112.90625   178.94057
   52    51 S   CT   _C10    52     1.83179    99.84563   -65.85898
   53    52 S   HC   _H11    53     1.09452   107.80356    80.98233
   54    52 S   HC   _H12    54     1.09527   108.47719   -35.73098
   55    52 S   CT1  _C11    55     1.53653   112.93451  -156.97759
   56    55 S   HC   _H4_    56     1.09791   108.26514   179.60833
   57    55 S   C    _C12    57     1.52987   112.85472   -61.49203
   58    57 S   O    _O34    58     1.22987   122.85768   109.44216
   59    55 S   N    _N6_    67     1.45825   112.03605    61.80870
   60    59 S   H    _H16    68     1.01636   117.66581   -98.61800
   61    57 S   N    _N5_    59     1.38430   112.72352   -69.84256
   62    61 S   H    _H13    60     1.01634   120.40751    -1.67830
   63    59 S   C    _C15    69     1.38535   122.76324    78.96842
   64    63 S   O    _O37    70     1.22770   124.74204     2.08150
   65    61 S   CT   _C13    61     1.45341   122.49780   179.04366
   66    65 S   HC   _H14    62     1.09569   107.72330   -56.99931
   67    65 S   HC   _H15    63     1.09560   107.71036    59.35062
   68    63 S   CT   _C16    71     1.51848   111.86710  -176.76614
   69    68 S   HC   _H17    72     1.09559   107.25053    64.14494
   70    68 S   HC   _H18    73     1.09573   108.25446   -52.11526
   71    65 S   CO3  _C14    64     1.52891   114.26527  -178.93357
   72    71 S   O2Z  _O36    65     1.26343   116.04446    -3.15269
   73    71 S   O2Z  _O35    66     1.26427   114.42489   176.90636
   74    68 S   CT   _C17    74     1.53114   112.14133  -174.15041
   75    74 S   HC   _H19    75     1.09791   108.84221    57.81204
   76    74 S   HC   _H20    76     1.09828   109.25596   -57.00633
   77    74 S   CT   _C18    77     1.53230   114.37668  -179.66604
   78    77 S   HC   _H5_    78     1.09711   108.17708   179.37224
   79    77 S   CO3  _C19    79     1.54129   114.85461   -62.46584
   80    79 S   O2Z  _O39    80     1.26481   114.70659   144.62790
   81    79 S   O2Z  _O38    81     1.26206   115.80584   -36.29332
   82    77 S   NP   _N7_    82     1.49912   108.81729    66.61032
   83    82 S   H    _H21    83     1.03355   111.97016    55.86463
   84    82 S   H    _H22    84     1.02703   112.15839   -66.10454
   85    82 S   H    _H23    85     1.02865   110.08513   175.35746
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   7   4   8   3   9   5   1   7   5   4   7
   3   2   7  10   5   4  11   6  10   4   8   3   7   4   8   4
   5   4   3   9   5   4   2   1   1  11   5   4   8   7   6   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42    43  
   41    42    43    44    45    46    47    48  
   42    43    45  
   43    44    45    46    47    48    49    50    51  
   44    45    46    47    48  
   45  
   46    47    48    49    50    51    52  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52    53    54    55    56    57    59  
   53    54    55    56    57    58    61    59    60    63  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    61    62    65    59    60    63    64    68  
   57    58    61    59    60    63  
   58    61    62    65    66    67    71    59    60    63  
   61    62    65    59  
   60    63    64    68    69    70    74    61  
   63    64    68  
   62    65    66    67    71    72    73  
   65    66    67    71  
   64    68    69    70    74    75    76    77  
   68    69    70    74  
   66    67    71    72    73  
   67    71    72    73  
   71    72    73  
   69    70    74    75    76    77    78    79    82  
   70    74    75    76    77  
   74    75    76    77  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    79    82  
   77    78    79    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   52   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   82   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    43   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   400.000  1.384
   42    43   490.000  1.335
   42    45   337.000  1.449
   43    44   570.000  1.229
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   222.000  1.810
   51    52   222.000  1.810
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    59   337.000  1.449
   57    58   570.000  1.229
   57    61   490.000  1.335
   61    62   434.000  1.010
   61    65   337.000  1.449
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.522
   71    72   656.000  1.250
   71    73   656.000  1.250
   59    60   434.000  1.010
   59    63   490.000  1.335
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   317.000  1.522
   77    82   367.000  1.471
   79    80   656.000  1.250
   79    81   656.000  1.250
   82    83   434.000  1.010
   82    84   434.000  1.010
   82    85   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    43    70.00000  112.33000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    70.00000  116.60000
   33    43    44    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    75.00000  120.83300
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  120.89900
   40    42    45    70.00000  119.94800
   42    40    41   110.00000  107.01400
   42    43    44    80.00000  122.90000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    70.00000  110.72300
   43    33    34    35.00000  109.50000
   43    33    38    70.00000  115.00700
   45    42    43    50.00000  121.90000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    75.00000  111.63000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    62.00000   98.90000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  109.50000
   51    52    54    35.00000  109.50000
   51    52    55    75.00000  108.68000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    59    80.00000  109.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    80.00000  120.40000
   55    57    61    70.00000  116.60000
   55    59    60    38.00000  118.40000
   55    59    63    50.00000  121.90000
   57    55    56    35.00000  109.50000
   57    61    62    35.00000  119.80000
   57    61    65    50.00000  121.90000
   61    57    58    80.00000  122.90000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    71    63.00000  110.10000
   65    61    62    38.00000  118.40000
   65    71    72    70.00000  117.00000
   65    71    73    70.00000  117.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   73    71    72    80.00000  126.00000
   59    55    56    35.00000  109.50000
   59    55    57    63.00000  110.10000
   59    63    64    80.00000  122.90000
   59    63    68    70.00000  116.60000
   63    59    60    35.00000  119.80000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    74    63.00000  111.10000
   68    63    64    80.00000  120.40000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    70.00000  109.69300
   74    77    82    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    79    80    70.00000  117.00000
   77    79    81    70.00000  117.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   79    77    78    35.00000  109.50000
   81    79    80    80.00000  126.00000
   82    77    78    35.00000  109.50000
   82    77    79    80.00000  109.26000
   84    82    83    35.00000  109.50000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  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  -0.62250  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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.00000  1.0 1.0
   29    33    43    44   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.00000  1.0 1.0
   34    33    43    44   0.00000  1.0 1.0
   38    33   -43    42   0.00000  1.0 1.0
   38    33    43    44   0.30150 -1.0 2.0
   38    40   -42    43  -0.18900  1.0 1.0
   38    40   -42    43   1.70900 -1.0 2.0
   38    40    42    45  -0.88150  1.0 1.0
   38    40    42    45   2.95600 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.67100  1.0 1.0
   40    42   -43    33   1.42150 -1.0 2.0
   40    42   -43    33   0.18700  1.0 3.0
   40    42    43    44   2.67200 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    48  -0.05900 -1.0 2.0
   41    40    42    43  -0.56400  1.0 1.0
   41    40    42    43   0.77500 -1.0 2.0
   41    40    42    43   0.18700  1.0 3.0
   41    40    42    45   1.00000 -1.0 2.0
   42    45    48    49   0.15000  1.0 3.0
   42    45    48    50   0.15000  1.0 3.0
   42    45    48    51   0.56750  1.0 1.0
   42    45    48    51  -0.07550 -1.0 2.0
   42    45    48    51   0.20000  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40  -0.51250  1.0 1.0
   43    33   -38    40  -0.88800 -1.0 2.0
   43    33   -38    40   0.08850  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    48  -0.43950  1.0 1.0
   43    42    45    48  -0.08100 -1.0 2.0
   43    42    45    48   0.03350  1.0 3.0
   45    42    43    33   1.49850  1.0 1.0
   45    42    43    33   1.53950 -1.0 2.0
   45    42    43    44   3.04450 -1.0 2.0
   45    48    51    52   0.01700  1.0 1.0
   45    48    51    52  -0.23550 -1.0 2.0
   45    48    51    52   0.21350  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    52    53   0.32350  1.0 3.0
   48    51    52    54   0.32350  1.0 3.0
   48    51    52    55   0.01700  1.0 1.0
   48    51    52    55  -0.23550 -1.0 2.0
   48    51    52    55   0.21350  1.0 3.0
   49    48    51    52   0.32350  1.0 3.0
   50    48    51    52   0.32350  1.0 3.0
   51    52    55    56   0.15000  1.0 3.0
   51    52    55    57  -2.17200  1.0 1.0
   51    52    55    57  -0.85700 -1.0 2.0
   51    52    55    59   0.71400  1.0 1.0
   51    52    55    59   0.04300 -1.0 2.0
   51    52    55    59   0.01450  1.0 3.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    61   0.93250  1.0 1.0
   52    55    57    61   0.04450 -1.0 2.0
   52    55    57    61   0.17550  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    63   0.25950  1.0 1.0
   52    55    59    63   0.43850 -1.0 2.0
   52    55    59    63   2.61650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    59   0.23200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    59   0.23200  1.0 3.0
   55    57    61    62   2.45000 -1.0 2.0
   55    57    61    65   1.15000  1.0 1.0
   55    57    61    65   3.04450 -1.0 2.0
   55    59    63    64   3.04450 -1.0 2.0
   55    59    63    68   1.15000  1.0 1.0
   55    59    63    68   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    61   0.00000  1.0 1.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    63   0.00000  1.0 1.0
   57    55    59    60   0.00000  1.0 1.0
   57    55    59    63  -0.29800  1.0 1.0
   57    55    59    63   0.13950 -1.0 2.0
   57    55    59    63  -2.45650  1.0 3.0
   57    61    65    66   0.00000  1.0 1.0
   57    61    65    67   0.00000  1.0 1.0
   57    61    65    71  -0.29800  1.0 1.0
   57    61    65    71   0.13950 -1.0 2.0
   57    61    65    71  -2.45650  1.0 3.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    65   3.04450 -1.0 2.0
   61    65    71    72   0.00000  1.0 1.0
   61    65    71    73   0.00000  1.0 1.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    71   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    73   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    73   0.00000  1.0 1.0
   59    55    57    58   0.00000  1.0 1.0
   59    55    57    61   0.37150  1.0 1.0
   59    55    57    61   1.25400 -1.0 2.0
   59    55    57    61  -0.40250  1.0 3.0
   59    63    68    69   0.00000  1.0 1.0
   59    63    68    70   0.00000  1.0 1.0
   59    63    68    74   1.39750  1.0 1.0
   59    63    68    74  -0.07950 -1.0 2.0
   59    63    68    74  -0.18750  1.0 3.0
   60    59    63    64   2.45000 -1.0 2.0
   60    59    63    68   2.45000 -1.0 2.0
   63    68    74    75  -0.11250  1.0 3.0
   63    68    74    76  -0.11250  1.0 3.0
   63    68    74    77  -0.95700  1.0 1.0
   63    68    74    77  -0.18200 -1.0 2.0
   63    68    74    77   0.29450  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    74   0.30150 -1.0 2.0
   68    74    77    78   0.15000  1.0 3.0
   68    74    77    79  -1.63150  1.0 1.0
   68    74    77    79  -0.43550 -1.0 2.0
   68    74    77    79   0.24500  1.0 3.0
   68    74    77    82   1.36600  1.0 1.0
   68    74    77    82  -0.11450 -1.0 2.0
   68    74    77    82   0.24250  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    77   0.15000  1.0 3.0
   74    77    79    80   0.41150 -1.0 2.0
   74    77    79    81   0.41150 -1.0 2.0
   74    77    82    83   0.17350  1.0 3.0
   74    77    82    84   0.17350  1.0 3.0
   74    77    82    85   0.17350  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79  -0.11250  1.0 3.0
   75    74    77    82   0.19200  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79  -0.11250  1.0 3.0
   76    74    77    82   0.19200  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    82    83   0.13050  1.0 3.0
   78    77    82    84   0.13050  1.0 3.0
   78    77    82    85   0.13050  1.0 3.0
   79    77    82    83   0.17350  1.0 3.0
   79    77    82    84   0.17350  1.0 3.0
   79    77    82    85   0.17350  1.0 3.0
   82    77    79    80   0.30150 -1.0 2.0
   82    77    79    81   0.30150 -1.0 2.0
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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   45    43    42    40   1.00000 -1.0 2.0
   33    42    43    44  10.50000 -1.0 2.0
   55    61    57    58  10.50000 -1.0 2.0
   62    57    61    65   1.00000 -1.0 2.0
   72    65    71    73  10.50000 -1.0 2.0
   60    63    59    55   1.00000 -1.0 2.0
   59    68    63    64  10.50000 -1.0 2.0
   80    77    79    81  10.50000 -1.0 2.0
END
