* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    149    221     434
    1     0 S   NP   _N1_     1    31.62016    98.76812   -13.46227
    2     1 S   H    _HN1     2     1.02923    96.85618    44.92457
    3     1 S   H    _H1_     3     1.02826    81.93262   151.12572
    4     1 S   H    _H2_     4     1.02770    33.77276   -68.24840
    5     1 S   CT   _CA1     5     1.50154   144.10930   -94.49042
    6     5 S   HC   _HA1     6     1.09587   105.09275   -47.03712
    7     5 S   CO3  _C1_     7     1.53775   112.66023  -166.69418
    8     7 S   O2Z  _O11     8     1.26331   114.99279   -34.12747
    9     7 S   O2Z  _O12     9     1.26231   115.03771   144.95653
   10     5 S   CT   _CB1    10     1.53124   107.31480    70.62932
   11    10 S   HC   HB11    11     1.09810   108.93065   -51.71147
   12    10 S   HC   HB12    12     1.09769   110.48404    64.65691
   13    10 S   CT   _CG1    13     1.52982   112.81901  -173.01163
   14    13 S   HC   HG11    14     1.09595   110.31000   -70.60401
   15    13 S   HC   HG12    15     1.09685   109.94979    48.48508
   16    13 S   C    _CD1    16     1.51848   112.71979   168.43699
   17    16 S   O    _OE1    17     1.22699   123.38525    -2.47148
   18    16 S   N    _N2_    18     1.38670   111.46705   178.35194
   19    18 S   H    _HN2    19     1.01618   118.82950    -1.36027
   20    18 S   CT1  _CA2    20     1.46055   123.54150   175.46184
   21    20 S   HC   _HA2    21     1.09760   109.14817   -13.51730
   22    20 S   C    _C2_    22     1.53524   107.72585  -128.33730
   23    22 S   O    _O2_    23     1.23009   122.59161  -145.77984
   24    20 S   CT   _CB2    32     1.53352   112.39244   108.99199
   25    24 S   HC   HB21    33     1.09533   111.30925    53.26384
   26    24 S   HC   HB22    34     1.09552   109.78436   171.19067
   27    22 S   N    _N3_    24     1.38439   113.31573    41.70501
   28    27 S   H    _HN3    25     1.01650   119.50384    -3.74586
   29    24 S   S    _SG2    35     1.82744   112.44960   -71.37330
   30    27 S   CT   _CA3    26     1.45289   123.09511   176.88322
   31    30 S   HC   HA31    27     1.09554   107.58210   -62.22415
   32    30 S   HC   HA32    28     1.09557   107.87857    54.17050
   33    29 S   CT   _C20    36     1.84165   100.39556    97.58078
   34    33 S   HC   _H3_    37     1.09476   108.43500   -36.30027
   35    30 S   CO3  _C3_    29     1.52927   114.14554   176.10198
   36    35 S   O2Z  _O31    30     1.26364   116.04742    -0.90978
   37    35 S   O2Z  _O32    31     1.26428   114.41402   179.13679
   38    33 S   CM   _C6_    38     1.51159   106.72335  -154.89629
   39    38 S   HC   _H24    39     1.08768   116.39189   -56.95437
   40    33 S   CT   _C15    66     1.53614   109.48792    84.26206
   41    40 S   HC   _H38    67     1.09678   110.26745   -49.65076
   42    40 S   HC   _H39    68     1.09707   110.03183    69.96774
   43    38 S   CM   _C5_    40     1.34370   123.41098   122.91286
   44    43 S   HC   _H23    41     1.08943   117.55741     1.66389
   45    40 S   C    _C9_    69     1.52390   112.95418  -168.50659
   46    45 S   O    _O20    70     1.23209   121.87404     9.87086
   47    43 S   CM   _C8_    42     1.46345   126.65042  -178.29981
   48    45 S   N    _N18    71     1.40493   115.32056  -171.95780
   49    47 S   CM   _C7_    43     1.34946   118.42058  -174.37778
   50    49 S   HC   _H25    44     1.09038   118.22623     1.13935
   51    47 S   CT   _C13    62     1.50631   117.52099     7.01498
   52    51 S   HC   _H32    63     1.09601   110.57532    54.08262
   53    51 S   HC   _H33    64     1.09159   113.68179   173.30063
   54    51 S   HC   _H34    65     1.09549   110.47413   -66.32473
   55    48 S   C    _C4_    72     1.42066   129.96581    -7.47084
   56    55 S   O    _O19    73     1.22190   128.76902     1.16567
   57    49 S   CT   _C19    45     1.50501   128.46126  -178.97359
   58    57 S   HC   _H46    46     1.09199   112.91212    -7.11417
   59    55 S   CT   _C10    74     1.51100   107.43647  -176.44125
   60    59 S   HC   _H26    75     1.09450   108.73646    99.07603
   61    59 S   HC   _H27    76     1.09266   111.01429  -139.68350
   62    57 S   CT   _C18    47     1.53448   112.54745   116.81540
   63    62 S   HC   _H44    48     1.09816   109.89327    60.29281
   64    62 S   HC   _H45    49     1.09817   108.47614   174.85403
   65    57 S   OH   _O21    60     1.42959   108.19794  -124.58472
   66    65 S   HO   _H48    61     0.97263   107.50771    55.90360
   67    59 S   CT   _C11    77     1.51739   103.27957   -19.61765
   68    67 S   HC   _H28    78     1.09339   113.04107   154.30239
   69    67 S   HC   _H29    79     1.09712   109.60742   -85.09334
   70    62 S   CT   _C17    50     1.53052   113.40650   -63.09374
   71    70 S   HC   _H42    51     1.09621   109.98681    63.94338
   72    70 S   HC   _H43    52     1.09675   109.62231   -53.73833
   73    48 S   CT   _C12    80     1.45003   119.77776   177.67073
   74    73 S   HC   _H30    81     1.09606   107.87980    78.57521
   75    73 S   HC   _H31    82     1.09437   111.26663   -40.59481
   76    70 S   CT   _C16    53     1.52890   111.27866  -174.96690
   77    76 S   HC   _H40    54     1.09621   109.81780    60.84598
   78    76 S   HC   _H41    55     1.09572   110.01899   -56.87244
   79    76 S   CT   _C14    56     1.52026   111.44820  -178.03567
   80    79 S   HC   _H35    57     1.09478   110.97096    60.55688
   81    79 S   HC   _H36    58     1.09466   111.00983   -59.96619
   82    79 S   HC   _H37    59     1.09447   110.26255  -179.73905
  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  10   4   8   4   3   9   3   9   3  10  11
  13   5   4   2   1   1  10   5  10   6   8   5   4  11   6   5
   2   1   5   4   3   9   5   4   2   1   1   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    55    73    43  
   42    45    46    48  
   45    46    48  
   44    47    49    50    57    51    52    53    54  
   47    49    51  
   46    48    55    56    59    67    73    74    75  
   48    55    73  
   49    50    57    58    62    65    51    52    53    54  
   55    56    59    60    61    67    68    69    73    74    75  
   50    57    58    62    63    64    70    65    66    51    52    53    54  
   57    58    62    65    51  
   52    53    54    57  
   53    54  
   54  
    0  
   56    59    60    61    67    68    69    73    74    75  
   59    60    61    67    73  
   58    62    63    64    70    71    72    76    65    66  
   62    63    64    70    65    66  
   60    61    67    68    69    73    74    75  
   61    67    68    69    73  
   67    68    69    73  
   63    64    70    71    72    76    77    78    79    65    66  
   64    70    71    72    76    65  
   70    71    72    76    65  
   66    70  
    0  
   68    69    73    74    75  
   69    73    74    75  
   73    74    75  
   71    72    76    77    78    79    80    81    82  
   72    76    77    78    79  
   76    77    78    79  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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  -0.115000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.2500   0.1700  -0.315000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    49   549.000  1.340
   47    51   317.000  1.510
   49    50   340.000  1.080
   49    57   317.000  1.510
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   65    66   553.000  0.945
   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   490.000  1.335
   48    55   490.000  1.335
   48    73   337.000  1.449
   55    56   570.000  1.229
   55    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   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    35.00000  109.50000
   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    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    49    70.00000  123.01800
   43    47    51    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    57    70.00000  124.00000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    62    70.00000  112.02700
   49    57    65    90.00000  110.39200
   57    49    50    35.00000  117.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    70    58.35000  112.70000
   57    65    66    55.00000  108.50000
   62    57    58    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    76    58.35000  112.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    62    50.00000  109.50000
   51    47    49    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    55    70.00000  121.37400
   45    48    73    50.00000  121.90000
   48    45    46    80.00000  122.90000
   48    55    56    80.00000  122.90000
   48    55    59    70.00000  116.60000
   48    73    67    70.00000  110.72300
   48    73    74    35.00000  109.50000
   48    73    75    35.00000  109.50000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    67    63.00000  111.10000
   59    55    56    80.00000  120.40000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    73    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   69    67    68    33.00000  107.80000
   73    48    55    50.00000  121.90000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   75    73    74    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   0.32350  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    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   1.39750  1.0 1.0
   33    40    45    48  -0.07950 -1.0 2.0
   33    40    45    48  -0.18750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  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    49   0.28850  1.0 1.0
   38    43    47    49   2.61350 -1.0 2.0
   38    43    47    49   0.78400  1.0 3.0
   38    43    47    51  -0.18600  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    49    50   7.00000 -1.0 2.0
   43    47    49    57   7.00000 -1.0 2.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    53   0.00000  1.0 1.0
   43    47    51    54   0.00000  1.0 1.0
   44    43    47    49  -0.18600  1.0 3.0
   44    43    47    51   0.00000  1.0 1.0
   47    49    57    58   0.00000  1.0 1.0
   47    49    57    62   0.09850  1.0 1.0
   47    49    57    62   0.15250 -1.0 2.0
   47    49    57    62  -0.50650  1.0 3.0
   47    49    57    65   0.67800  1.0 1.0
   47    49    57    65   0.47050 -1.0 2.0
   47    49    57    65  -0.62500  1.0 3.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    53   0.00000  1.0 1.0
   49    47    51    54   0.00000  1.0 1.0
   49    57    62    63   0.15000  1.0 3.0
   49    57    62    64   0.15000  1.0 3.0
   49    57    62    70   0.34400  1.0 1.0
   49    57    62    70   0.09450 -1.0 2.0
   49    57    62    70   0.11100  1.0 3.0
   49    57    65    66  -0.07800  1.0 1.0
   49    57    65    66  -0.21500 -1.0 2.0
   49    57    65    66  -0.03150  1.0 3.0
   50    49    57    58   0.33100  1.0 3.0
   50    49    57    62   0.00000  1.0 1.0
   50    49    57    65   0.00000  1.0 1.0
   57    62    70    71   0.15000  1.0 3.0
   57    62    70    72   0.15000  1.0 3.0
   57    62    70    76   0.56750  1.0 1.0
   57    62    70    76  -0.07550 -1.0 2.0
   57    62    70    76   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    70   0.15000  1.0 3.0
   58    57    65    66   0.19450  1.0 3.0
   62    57    65    66  -0.11600  1.0 1.0
   62    57    65    66  -0.09450 -1.0 2.0
   62    57    65    66   0.21250  1.0 3.0
   62    70    76    77   0.15000  1.0 3.0
   62    70    76    78   0.15000  1.0 3.0
   62    70    76    79   0.56750  1.0 1.0
   62    70    76    79  -0.07550 -1.0 2.0
   62    70    76    79   0.20000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    76   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    76   0.15000  1.0 3.0
   70    76    79    80   0.15000  1.0 3.0
   70    76    79    81   0.15000  1.0 3.0
   70    76    79    82   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   65    57    62    63   0.23400  1.0 3.0
   65    57    62    64   0.23400  1.0 3.0
   65    57    62    70   0.86500  1.0 1.0
   65    57    62    70  -0.17500 -1.0 2.0
   65    57    62    70   0.20800  1.0 3.0
   51    47    49    50   7.00000 -1.0 2.0
   51    47    49    57   7.00000 -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    55   2.45000 -1.0 2.0
   40    45    48    73   1.49850  1.0 1.0
   40    45    48    73   1.53950 -1.0 2.0
   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   2.22250 -1.0 2.0
   45    48    55    59   2.45000 -1.0 2.0
   45    48    73    67  -0.43950  1.0 1.0
   45    48    73    67  -0.08100 -1.0 2.0
   45    48    73    67   0.03350  1.0 3.0
   45    48    73    74   0.00000  1.0 1.0
   45    48    73    75   0.00000  1.0 1.0
   46    45    48    55   2.22250 -1.0 2.0
   46    45    48    73   3.04450 -1.0 2.0
   48    55    59    60   0.00000  1.0 1.0
   48    55    59    61   0.00000  1.0 1.0
   48    55   -59    67   1.39750  1.0 1.0
   48    55   -59    67  -0.07950 -1.0 2.0
   48    55   -59    67  -0.18750  1.0 3.0
   55    48   -73    67  -0.43950  1.0 1.0
   55    48   -73    67  -0.08100 -1.0 2.0
   55    48   -73    67   0.03350  1.0 3.0
   55    48    73    74   0.00000  1.0 1.0
   55    48    73    75   0.00000  1.0 1.0
   55    59    67    68  -0.11250  1.0 3.0
   55    59    67    69  -0.11250  1.0 3.0
   55    59   -67    73  -0.95700  1.0 1.0
   55    59   -67    73  -0.18200 -1.0 2.0
   55    59   -67    73   0.29450  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    67   0.30150 -1.0 2.0
   59    67   -73    48   0.43900  1.0 1.0
   59    67   -73    48   0.49100 -1.0 2.0
   59    67   -73    48   0.28400  1.0 3.0
   59    67    73    74   0.15000  1.0 3.0
   59    67    73    75   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    73   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    73   0.15000  1.0 3.0
   68    67    73    48   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   69    67    73    48   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   73    48    55    56   3.04450 -1.0 2.0
   73    48   -55    59   1.49850  1.0 1.0
   73    48   -55    59   1.53950 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    51    47    49  15.00000 -1.0 2.0
   57    50    49    47  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   73    45    48    55   1.00000 -1.0 2.0
   48    59    55    56  10.50000 -1.0 2.0
END
