* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    166    248     489
    1     0 S   NP   _N1_     1    29.02532    93.37061   -19.79303
    2     1 S   H    _HN1     2     1.02745    82.00642   -79.76165
    3     1 S   H    _H1_     3     1.03299   105.67006    26.44323
    4     1 S   H    _H2_     4     1.02785    28.39637   123.47043
    5     1 S   CT   _CA1     5     1.50041   133.72812   167.10572
    6     5 S   HC   _HA1     6     1.09580   105.20260    42.11557
    7     5 S   CO3  _C1_     7     1.53809   112.57141   -77.92338
    8     7 S   O2Z  _O11     8     1.26319   115.22224   -43.61020
    9     7 S   O2Z  _O12     9     1.26288   114.84578   135.57895
   10     5 S   CT   _CB1    10     1.53030   107.25877   159.89230
   11    10 S   HC   HB11    11     1.09816   109.28773   -50.89748
   12    10 S   HC   HB12    12     1.09805   110.26761    65.50895
   13    10 S   CT   _CG1    13     1.53032   112.93594  -172.33556
   14    13 S   HC   HG11    14     1.09574   110.16686   -60.99700
   15    13 S   HC   HG12    15     1.09600   110.38306    58.26215
   16    13 S   C    _CD1    16     1.51800   111.72619   178.20398
   17    16 S   O    _OE1    17     1.22769   122.95761   -20.39717
   18    16 S   N    _N2_    18     1.38610   112.02414   160.50285
   19    18 S   H    _HN2    19     1.01555   119.26789     2.11044
   20    18 S   CT1  _CA2    20     1.46279   123.12180  -175.90428
   21    20 S   HC   _HA2    21     1.09733   109.29859   -12.29568
   22    20 S   C    _C2_    22     1.53401   108.46075  -128.10512
   23    22 S   O    _O2_    23     1.23013   122.31462  -146.12683
   24    20 S   CT   _CB2    32     1.53697   111.53971   109.40892
   25    24 S   HC   HB21    33     1.09466   109.40421    59.70492
   26    24 S   HC   HB22    34     1.09472   109.69213   178.29452
   27    22 S   N    _N3_    24     1.38542   113.35973    41.17884
   28    27 S   H    _HN3    25     1.01534   118.84560    -0.54465
   29    24 S   S    _SG2    35     1.83435   111.24142   -61.29377
   30    27 S   CT   _CA3    26     1.45442   123.48384   175.48234
   31    30 S   HC   HA31    27     1.09521   109.29760    23.39230
   32    30 S   HC   HA32    28     1.09500   107.10786   140.35757
   33    29 S   CT   _C17    36     1.86158   102.30652   178.91466
   34    33 S   OM   _O37    37     1.32015   108.94336    64.29886
   35    30 S   CO3  _C3_    29     1.52901   113.06364  -100.15486
   36    35 S   O2Z  _O31    30     1.26407   115.35942   -46.73156
   37    35 S   O2Z  _O32    31     1.26351   115.02821   134.24448
   38    33 S   CT   _C16    38     1.55631   109.60092   -55.42972
   39    38 S   HC   _H16    39     1.10108   111.92937    93.99677
   40    38 S   HC   _H17    40     1.09972   110.83018   -22.05393
   41    38 S   CT   _C15    41     1.53851   114.54945  -140.59260
   42    41 S   HC   _H4_    42     1.09685   109.87148    84.80241
   43    41 S   CT   _C14    43     1.52183   112.44427   -37.01061
   44    43 S   HC   _H14    44     1.09614   108.54559  -174.26807
   45    43 S   HC   _H15    45     1.09901   109.10881   -61.80509
   46    41 S   OH   _O38    91     1.42621   109.35370  -158.22897
   47    46 S   HO   _H18    92     0.97229   107.33122   -56.74754
   48    43 S   CT   _C13    46     1.54856   112.69279    61.54013
   49    33 S   CT   _C12    47     1.56856   109.28509  -175.08418
   50    49 S   HC   _H3_    48     1.10235   105.47951    63.91794
   51    48 S   CT   _C18    70     1.54547   112.02812    99.69164
   52    51 S   HC   _H19    71     1.09649   109.63652   178.28628
   53    51 S   HC   _H20    72     1.09554   109.29965   -63.10718
   54    48 S   OH   _O42    89     1.43332   107.23953  -142.80516
   55    54 S   HO   _H27    90     0.97555   106.81934    74.22736
   56    49 S   CO4  _C11    49     1.55015   114.40803   -50.84507
   57    56 S   O    _O36    50     1.23079   122.33578   -70.92385
   58    51 S   CO4  _C19    73     1.52818   116.44882    59.40101
   59    58 S   O    _O39    74     1.23117   123.32865     8.28655
   60    56 S   CT   _C10    51     1.52050   116.02176   111.98092
   61    60 S   HC   _H12    52     1.09474   106.86038    79.90473
   62    60 S   HC   _H13    53     1.09420   109.26847   -37.66465
   63    58 S   CT   _C20    75     1.52515   116.14179  -172.01082
   64    63 S   HC   _H21    76     1.09882   107.19063  -137.75678
   65    63 S   HC   _H22    77     1.09876   109.58986   -24.69982
   66    60 S   CO4  _C9_    54     1.51499   116.26099  -158.62766
   67    66 S   O    _O35    55     1.23054   123.05093    17.92189
   68    63 S   CMA  _C21    78     1.52449   110.66336   100.67018
   69    68 S   OM   _O41    79     1.26203   111.42880   -91.74297
   70    66 S   CT   _C8_    56     1.51280   116.53579  -165.88568
   71    70 S   HC   _H10    57     1.09571   107.80102   153.17429
   72    70 S   HC   _H11    58     1.09458   109.06651    36.49472
   73    68 S   CM   _C22    80     1.35169   116.21271    89.51132
   74    73 S   HC   _H23    81     1.08749   119.29691    -1.11083
   75    70 S   CO4  _C7_    59     1.51367   114.35395   -85.99713
   76    75 S   O    _O34    60     1.22925   121.81025     2.34919
   77    73 S   CO4  _C23    82     1.49172   124.17054   179.41283
   78    77 S   O    _O40    83     1.22196   125.16320    -0.22555
   79    75 S   CT   _C6_    61     1.51493   115.58521  -175.75416
   80    79 S   HC   _H8_    62     1.09537   106.86940    71.34222
   81    79 S   HC   _H9_    63     1.09509   108.65176   -46.22216
   82    77 S   S    _S1_    84     1.76482   112.29889   179.81233
   83    79 S   CO4  _C5_    64     1.51359   116.55412  -167.23489
   84    83 S   O    _O33    65     1.23003   123.11136    23.43929
   85    82 S   CT   _C24    85     1.80580   100.27673  -179.21068
   86    85 S   HC   _H24    86     1.09324   109.27309   179.86730
   87    85 S   HC   _H25    87     1.09339   110.53518    60.53687
   88    85 S   HC   _H26    88     1.09339   110.53763   -60.80492
   89    83 S   CT   _C4_    66     1.50707   116.17627  -159.32517
   90    89 S   HC   _H5_    67     1.09280   109.63226    60.45612
   91    89 S   HC   _H6_    68     1.09362   109.71324   179.75611
   92    89 S   HC   _H7_    69     1.09272   109.55168   -60.65829
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  13   6   5  10   6  14   6   5   2   1  13
  13   5  11   5   4   3   1   7   4   7   4   8   4   3   7   4
   3   7   4   6   3   8   4   3   5   3   7   4   6   2   8   4
   3   4   5   4   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    56    57    60    51    54    46  
   38    39    40    41    48    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50    56    46    47  
   40    41    42    43    49    46  
   41    42    43    49    46  
   42    43    44    45    48    49    51    54    46    47  
   43    44    45    48    46    47  
   44    45    48    49    50    56    51    52    53    58    54    55    46    47  
   45    48    49    51    54    46  
   48    49    51    54    46  
   47    48  
    0  
   49    50    56    57    60    51    52    53    58    59    63    54    55  
   50    56    57    60    61    62    66    51    52    53    58    54    55  
   56    57    60    51    54  
   52    53    58    59    63    64    65    68    54    55    56  
   53    58    59    63    54  
   58    59    63    54  
   55    56    58  
    0  
   57    60    61    62    66    67    70  
   60    61    62    66  
   59    63    64    65    68    69    73  
   63    64    65    68  
   61    62    66    67    70    71    72    75  
   62    66    67    70  
   66    67    70  
   64    65    68    69    73    74    77  
   65    68    69    73  
   68    69    73  
   67    70    71    72    75    76    79  
   70    71    72    75  
   69    73    74    77    78    82  
   73    74    77  
   71    72    75    76    79    80    81    83  
   72    75    76    79  
   75    76    79  
   74    77    78    82    85  
   77    78    82  
   76    79    80    81    83    84    89  
   79    80    81    83  
   78    82    85    86    87    88  
   82    85  
   80    81    83    84    89    90    91    92  
   81    83    84    89  
   83    84    89  
   85    86    87    88  
   84    89    90    91    92  
   89    90    91    92  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0150   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   570.000  1.307
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   268.000  1.529
   48    51   268.000  1.529
   48    54   320.000  1.410
   49    50   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   317.000  1.522
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   317.000  1.522
   83    84   570.000  1.229
   83    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   317.000  1.522
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   270.000  1.512
   68    69   745.000  1.250
   68    73   465.000  1.376
   73    74   340.000  1.080
   73    77   320.000  1.462
   77    78   570.000  1.229
   77    82   210.000  1.799
   82    85   222.000  1.810
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   54    55   553.000  0.945
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    48    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    56    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    58.35000  112.70000
   43    48    51    58.35000  112.70000
   43    48    54    50.00000  109.50000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    56    63.00000  111.10000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    58    63.00000  111.10000
   48    54    55    55.00000  108.50000
   49    33    34    50.00000  109.50000
   49    33    38    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    60    70.00000  116.00000
   56    49    50    35.00000  109.50000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    75.00000  107.99600
   60    56    57    80.00000  120.40000
   60    66    67    80.00000  120.40000
   60    66    70    70.00000  116.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    75    75.00000  107.99600
   70    66    67    80.00000  120.40000
   70    75    76    80.00000  120.40000
   70    75    79    70.00000  116.00000
   72    70    71    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    83    75.00000  107.99600
   79    75    76    80.00000  120.40000
   79    83    84    80.00000  120.40000
   79    83    89    70.00000  116.00000
   81    79    80    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    81    35.00000  109.50000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   89    83    84    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   51    48    49    58.35000  112.70000
   51    58    59    80.00000  120.40000
   51    58    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    68    70.00000  109.06800
   63    58    59    80.00000  120.40000
   63    68    69    85.00000  112.85300
   63    68    73    65.00000  122.18000
   65    63    64    33.00000  107.80000
   68    63    64    45.00000  110.52000
   68    63    65    45.00000  110.52000
   68    73    74    40.00000  120.50800
   68    73    77    60.00000  125.92000
   73    68    69    65.00000  137.10300
   73    77    78    80.00000  123.72100
   73    77    82    65.00000  119.00000
   77    73    74    40.00000  117.72500
   77    82    85    90.00000   96.72000
   82    77    78    80.00000  121.30200
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   54    48    49    50.00000  109.50000
   54    48    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    48   0.44750  1.0 1.0
   29    33    49    48  -0.17800 -1.0 2.0
   29    33    49    48   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    49    56    57   0.30150 -1.0 2.0
   33    49    56    60   0.60050  1.0 1.0
   33    49    56    60   0.05600 -1.0 2.0
   33    49    56    60   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    49    48   0.62750  1.0 1.0
   34    33    49    48  -0.30950 -1.0 2.0
   34    33    49    48   0.27300  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56  -0.09450  1.0 1.0
   34    33    49    56  -1.12950 -1.0 2.0
   34    33    49    56   0.54000  1.0 3.0
   38    33    49    48   0.56750  1.0 1.0
   38    33    49    48  -0.07550 -1.0 2.0
   38    33    49    48   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    56  -0.95700  1.0 1.0
   38    33    49    56  -0.18200 -1.0 2.0
   38    33    49    56   0.29450  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    48    49   0.56750  1.0 1.0
   41    43    48    49  -0.07550 -1.0 2.0
   41    43    48    49   0.20000  1.0 3.0
   41    43    48    51   0.56750  1.0 1.0
   41    43    48    51  -0.07550 -1.0 2.0
   41    43    48    51   0.20000  1.0 3.0
   41    43    48    54   0.86500  1.0 1.0
   41    43    48    54  -0.17500 -1.0 2.0
   41    43    48    54   0.20800  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48   -49    33   0.56750  1.0 1.0
   43    48   -49    33  -0.07550 -1.0 2.0
   43    48   -49    33   0.20000  1.0 3.0
   43    48    49    50   0.15000  1.0 3.0
   43    48    49    56  -0.95700  1.0 1.0
   43    48    49    56  -0.18200 -1.0 2.0
   43    48    49    56   0.29450  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    53   0.15000  1.0 3.0
   43    48    51    58  -0.95700  1.0 1.0
   43    48    51    58  -0.18200 -1.0 2.0
   43    48    51    58   0.29450  1.0 3.0
   43    48    54    55  -0.11600  1.0 1.0
   43    48    54    55  -0.09450 -1.0 2.0
   43    48    54    55   0.21250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    43    48    54   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51   0.15000  1.0 3.0
   45    43    48    54   0.23400  1.0 3.0
   48    49    56    57   0.30150 -1.0 2.0
   48    49    56    60   0.60050  1.0 1.0
   48    49    56    60   0.05600 -1.0 2.0
   48    49    56    60   0.26150  1.0 3.0
   48    51    58    59   0.30150 -1.0 2.0
   48    51    58    63   0.60050  1.0 1.0
   48    51    58    63   0.05600 -1.0 2.0
   48    51    58    63   0.26150  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    58  -0.95700  1.0 1.0
   49    48    51    58  -0.18200 -1.0 2.0
   49    48    51    58   0.29450  1.0 3.0
   49    48    54    55  -0.11600  1.0 1.0
   49    48    54    55  -0.09450 -1.0 2.0
   49    48    54    55   0.21250  1.0 3.0
   49    56    60    61   0.00000  1.0 1.0
   49    56    60    62   0.00000  1.0 1.0
   49    56    60    66   0.65300  1.0 1.0
   49    56    60    66  -0.03850 -1.0 2.0
   49    56    60    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    60   0.00000  1.0 1.0
   56    60    66    67   0.30150 -1.0 2.0
   56    60    66    70   0.65300  1.0 1.0
   56    60    66    70  -0.03850 -1.0 2.0
   56    60    66    70   0.33900  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.30150 -1.0 2.0
   60    66    70    71   0.00000  1.0 1.0
   60    66    70    72   0.00000  1.0 1.0
   60    66    70    75   0.65300  1.0 1.0
   60    66    70    75  -0.03850 -1.0 2.0
   60    66    70    75   0.33900  1.0 3.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    70   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    70   0.00000  1.0 1.0
   66    70    75    76   0.30150 -1.0 2.0
   66    70    75    79   0.65300  1.0 1.0
   66    70    75    79  -0.03850 -1.0 2.0
   66    70    75    79   0.33900  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    75   0.30150 -1.0 2.0
   70    75    79    80   0.00000  1.0 1.0
   70    75    79    81   0.00000  1.0 1.0
   70    75    79    83   0.65300  1.0 1.0
   70    75    79    83  -0.03850 -1.0 2.0
   70    75    79    83   0.33900  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    79   0.00000  1.0 1.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    79   0.00000  1.0 1.0
   75    79    83    84   0.30150 -1.0 2.0
   75    79    83    89   0.65300  1.0 1.0
   75    79    83    89  -0.03850 -1.0 2.0
   75    79    83    89   0.33900  1.0 3.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    83   0.30150 -1.0 2.0
   79    83    89    90   0.00000  1.0 1.0
   79    83    89    91   0.00000  1.0 1.0
   79    83    89    92   0.00000  1.0 1.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    89   0.00000  1.0 1.0
   81    79    83    84   0.00000  1.0 1.0
   81    79    83    89   0.00000  1.0 1.0
   84    83    89    90   0.00000  1.0 1.0
   84    83    89    91   0.00000  1.0 1.0
   84    83    89    92   0.00000  1.0 1.0
   51    48    49    33   0.56750  1.0 1.0
   51    48    49    33  -0.07550 -1.0 2.0
   51    48    49    33   0.20000  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    56  -0.95700  1.0 1.0
   51    48    49    56  -0.18200 -1.0 2.0
   51    48    49    56   0.29450  1.0 3.0
   51    48    54    55  -0.11600  1.0 1.0
   51    48    54    55  -0.09450 -1.0 2.0
   51    48    54    55   0.21250  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    65   0.00000  1.0 1.0
   51    58    63    68   0.65300  1.0 1.0
   51    58    63    68  -0.03850 -1.0 2.0
   51    58    63    68   0.33900  1.0 3.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   53    51    58    59   0.00000  1.0 1.0
   53    51    58    63   0.00000  1.0 1.0
   58    63    68    69   0.09700  1.0 1.0
   58    63    68    69   0.15600 -1.0 2.0
   58    63    68    69  -0.50800  1.0 3.0
   58    63    68    73  -0.51250  1.0 1.0
   58    63    68    73  -0.88800 -1.0 2.0
   58    63    68    73   0.08850  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    68   0.30150 -1.0 2.0
   63    68    73    74   7.00000 -1.0 2.0
   63    68    73    77   7.00000 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    73   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    73   0.00000  1.0 1.0
   68    73    77    78   1.00000 -1.0 2.0
   68    73    77    82   0.50400  1.0 1.0
   68    73    77    82   1.60000 -1.0 2.0
   68    73    77    82  -0.01800  1.0 3.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    77   7.00000 -1.0 2.0
   73    77    82    85  -0.11550  1.0 1.0
   73    77    82    85   1.88700 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    82   0.92800 -1.0 2.0
   77    82    85    86   0.24000  1.0 3.0
   77    82    85    87   0.24000  1.0 3.0
   77    82    85    88   0.24000  1.0 3.0
   78    77    82    85  -0.11550  1.0 1.0
   78    77    82    85   1.88700 -1.0 2.0
   54    48    49    33   0.86500  1.0 1.0
   54    48    49    33  -0.17500 -1.0 2.0
   54    48    49    33   0.20800  1.0 3.0
   54    48    49    50   0.23400  1.0 3.0
   54    48    49    56  -0.09450  1.0 1.0
   54    48    49    56  -1.12950 -1.0 2.0
   54    48    49    56   0.54000  1.0 3.0
   54    48    51    52   0.23400  1.0 3.0
   54    48    51    53   0.23400  1.0 3.0
   54    48    51    58  -0.09450  1.0 1.0
   54    48    51    58  -1.12950 -1.0 2.0
   54    48    51    58   0.54000  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   49    60    56    57  10.50000 -1.0 2.0
   60    70    66    67  10.50000 -1.0 2.0
   70    79    75    76  10.50000 -1.0 2.0
   79    89    83    84  10.50000 -1.0 2.0
   51    63    58    59  10.50000 -1.0 2.0
   63    69    68    73  15.00000 -1.0 2.0
   77    74    73    68  15.00000 -1.0 2.0
   73    82    77    78  10.50000 -1.0 2.0
END
