* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    150    223     429
    1     0 S   NP   _N1_     1    29.39421    95.55905   -17.57004
    2     1 S   H    _HN1     2     1.02757    69.87015   -47.72751
    3     1 S   H    _H1_     3     1.02974   108.16928    55.77194
    4     1 S   H    _H2_     4     1.02812    40.10178   150.70795
    5     1 S   CT   _CA1     5     1.50263   138.00000  -149.16427
    6     5 S   HC   _HA1     6     1.09592   105.05144    22.52858
    7     5 S   CO3  _C1_     7     1.53898   112.58326   -96.86854
    8     7 S   O2Z  _O11     8     1.26349   115.05838   -32.80194
    9     7 S   O2Z  _O12     9     1.26278   115.00644   145.96546
   10     5 S   CT   _CB1    10     1.53120   107.17049   140.02990
   11    10 S   HC   HB11    11     1.09794   109.01335   -51.32296
   12    10 S   HC   HB12    12     1.09785   110.31098    64.96722
   13    10 S   CT   _CG1    13     1.52927   112.99052  -172.84415
   14    13 S   HC   HG11    14     1.09466   109.91045   -66.20682
   15    13 S   HC   HG12    15     1.09631   110.34868    52.61843
   16    13 S   C    _CD1    16     1.51902   112.32485   172.21576
   17    16 S   O    _OE1    17     1.22761   122.97129   -25.74456
   18    16 S   N    _N2_    18     1.38500   111.88548   156.53275
   19    18 S   H    _HN2    19     1.01555   118.87903    -1.12570
   20    18 S   CT1  _CA2    20     1.46251   123.85641  -179.57387
   21    20 S   HC   _HA2    21     1.09734   109.29297   -20.59160
   22    20 S   C    _C2_    22     1.53502   107.87857  -136.07083
   23    22 S   O    _O2_    23     1.23005   122.45431  -145.66603
   24    20 S   CT   _CB2    32     1.53514   111.27619   102.01935
   25    24 S   HC   HB21    33     1.09415   109.20125    49.01461
   26    24 S   HC   HB22    34     1.09458   110.56361   167.83816
   27    22 S   N    _N3_    24     1.38582   113.23122    41.81636
   28    27 S   H    _HN3    25     1.01544   118.84697    -0.69745
   29    24 S   S    _SG2    35     1.82924   111.47864   -73.30783
   30    27 S   CT   _CA3    26     1.45434   123.44038   175.14328
   31    30 S   HC   HA31    27     1.09525   109.19409    25.13513
   32    30 S   HC   HA32    28     1.09495   107.13069   142.11970
   33    29 S   CT   _C13    36     1.86787   101.42036   158.16871
   34    30 S   CO3  _C3_    29     1.52924   113.14947   -98.32257
   35    34 S   O2Z  _O31    30     1.26401   115.42683   -44.49397
   36    34 S   O2Z  _O32    31     1.26358   114.97540   136.45869
   37    33 S   CM   _C8_    37     1.55383   111.52903   -64.28400
   38    33 S   CT   _C14    80     1.54333   106.95995   172.41773
   39    38 S   HC   _H15    81     1.09801   111.50093   -62.84599
   40    38 S   HC   _H16    82     1.09548   110.99189   178.87117
   41    38 S   HC   _H17    83     1.09405   113.56824    58.05546
   42    37 S   CT   _C7_    38     1.55420   117.32180   122.20881
   43    42 S   HC   _H3_    39     1.09862   105.20359  -130.84212
   44    37 S   CMA  _C9_    67     1.37905   123.28277   -57.03376
   45    44 S   OM   _O33    68     1.26863   126.27605    -3.63739
   46    42 S   CA   _C15    40     1.52446   112.66601   111.69970
   47    42 S   CM   _C6_    52     1.51393   115.77976   -15.63944
   48    44 S   OS   _O34    69     1.41834   112.28278   179.13997
   49    46 S   CA   _C16    41     1.41888   122.52613   -59.24324
   50    49 S   HA   _H18    42     1.08905   118.85075    -0.02798
   51    47 S   CM   _C5_    53     1.34244   122.49558    16.52791
   52    47 S   CO4  _C21    60     1.48288   117.15790  -165.87404
   53    52 S   O    _O36    61     1.22147   124.20213  -117.49550
   54    48 S   CT   _C10    70     1.43785   115.57979  -130.58537
   55    54 S   HC   _H7_    71     1.09538   112.29796   -30.02029
   56    49 S   CA   _C17    43     1.42021   124.22386  -179.57989
   57    56 S   HA   _H19    44     1.08932   118.22650  -179.68410
   58    33 S   NE   _N4_    54     1.45801   106.17879    59.74888
   59    58 S   H    _H14    55     1.01606   115.61468    56.81244
   60    51 S   CT   _C4_    56     1.50676   124.91987   178.90944
   61    60 S   HC   _H4_    57     1.09613   110.17562   131.76761
   62    60 S   HC   _H5_    58     1.09294   113.62062    12.46374
   63    60 S   HC   _H6_    59     1.09499   110.03694  -109.01512
   64    52 S   OS   _O37    62     1.35835   108.59279    62.14356
   65    54 S   CT   _C11    72     1.52469   109.25521    91.87195
   66    65 S   HC   _H8_    73     1.09533   111.09816    57.86356
   67    65 S   HC   _H9_    74     1.09426   111.19169   178.95003
   68    65 S   HC   _H10    75     1.09430   110.69952   -60.41549
   69    54 S   CT   _C12    76     1.52457   107.11145  -148.35259
   70    69 S   HC   _H11    77     1.09552   111.16208   -57.95553
   71    69 S   HC   _H12    78     1.09429   111.30203  -179.31700
   72    69 S   HC   _H13    79     1.09540   110.26740    60.14951
   73    56 S   CA   _C18    45     1.40314   123.20759     0.50513
   74    73 S   HA   _H20    46     1.08230   122.42697   179.92867
   75    64 S   CT   _C22    63     1.42979   115.08598  -178.67308
   76    75 S   HC   _H21    64     1.09325   108.10968   179.55589
   77    75 S   HC   _H22    65     1.09432   110.28403    60.88640
   78    75 S   HC   _H23    66     1.09421   110.29377   -61.71847
   79    73 S   CB   _C19    47     1.40507   114.25595     0.48779
   80    46 S   CB   _C20    48     1.41806   124.67981   122.75240
   81    80 S   N5A  _N5_    49     1.34057   129.41411    -0.03956
   82    81 S   OA   _O35    50     1.38143   106.21453  -179.67615
   83    79 S   N5A  _N6_    51     1.33886   128.96624   179.28618
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  13  13  10
   8   4   9   8   2   9   8   6   3   5   1   3   2   1   1   4
   7   3   2   1   3   2   1   1   6   3   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    58    59    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    58    59    60    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    80    47    51    58    59    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    58    59  
   40    41    58  
   41    58  
   58  
   43    46    49    50    56    79    80    81    47    51    58    60    52    53    64    44    45    48  
   46    49    80    47    51    52    44  
   45    48    54    55    65    69    46    47    58  
   48    54  
   49    50    56    57    73    79    80    81    82    83    47    51    52  
   51    58    59    60    61    62    63    52    53    64    75    49    80  
   54    55    65    66    67    68    69    70    71    72  
   50    56    57    73    74    79    80    81  
   56    57    73    80  
   58    59    60    61    62    63    52    53    64  
   53    64    75    76    77    78    58    60  
   64    75  
   55    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   57    73    74    79    80    83  
   73    74    79  
   59    60    61    62    63  
   60  
   61    62    63  
   62    63  
   63  
    0  
   75    76    77    78  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    79    80    81    82    83  
   79    80    83  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.344200   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.476100   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.246900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
   82   3.0000   0.1700   0.049000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    58   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    80   475.000  1.379
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    73   469.000  1.400
   73    74   367.000  1.080
   73    79   475.000  1.379
   79    80   400.000  1.418
   79    83   515.000  1.335
   80    81   515.000  1.335
   81    82   462.000  1.399
   82    83   462.000  1.399
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    58   425.000  1.378
   51    60   317.000  1.510
   58    59   434.000  1.010
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    53   570.000  1.229
   52    64   214.000  1.327
   64    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    65   268.000  1.529
   54    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    58    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    58    51    50.00000  121.00000
   33    58    59    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    80    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   46    80    79    65.00000  118.98700
   46    80    81    60.00000  134.84400
   49    56    57    35.00000  120.00000
   49    56    73    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    73    74    35.00000  120.00000
   56    73    79    70.00000  117.01800
   73    56    57    35.00000  120.00000
   73    79    80    65.00000  118.98700
   73    79    83    60.00000  134.84400
   79    73    74    40.00000  121.44600
   79    80    81    80.00000  113.57000
   79    83    82   120.00000  103.45200
   80    46    49    70.00000  117.01800
   80    81    82   120.00000  103.45200
   81    82    83   120.00000  111.70000
   83    79    80    80.00000  113.57000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    58    70.00000  124.03900
   47    51    60    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    64    90.00000  111.29400
   51    58    59    35.00000  114.50000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    63    35.00000  109.50000
   58    33    37    80.00000  112.42400
   60    51    58    75.00000  116.24600
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    64    75    83.00000  116.90000
   64    52    53    83.00000  123.40000
   64    75    76    35.00000  109.50000
   64    75    77    35.00000  109.50000
   64    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    65    50.00000  109.50000
   48    54    69    50.00000  109.50000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   54    69    70    37.50000  110.70000
   54    69    71    37.50000  110.70000
   54    69    72    37.50000  110.70000
   65    54    55    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    54    55    37.50000  110.70000
   69    54    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    58    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    58    51  -0.12500  1.0 1.0
   29    33    58    51  -0.12500 -1.0 2.0
   29    33    58    51   0.25000  1.0 3.0
   29    33    58    59  -0.12500  1.0 1.0
   29    33    58    59  -0.12500 -1.0 2.0
   29    33    58    59   0.25000  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   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    58    51  -0.12500  1.0 1.0
   37    33    58    51  -0.12500 -1.0 2.0
   37    33    58    51   0.25000  1.0 3.0
   37    33    58    59  -0.12500  1.0 1.0
   37    33    58    59  -0.12500 -1.0 2.0
   37    33    58    59   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    80   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    80    79   3.62500 -1.0 2.0
   42    46    80    81   3.62500 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    64  -0.15000  1.0 1.0
   42    47    52    64   0.89550 -1.0 2.0
   42    47    52    64  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    80   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    56    57   3.62500 -1.0 2.0
   46    49    56    73   3.62500 -1.0 2.0
   46    80    81    82   3.62500 -1.0 2.0
   49    46    80    79   3.62500 -1.0 2.0
   49    46    80    81   3.62500 -1.0 2.0
   49    56    73    74   3.62500 -1.0 2.0
   49    56   -73    79   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    73   3.62500 -1.0 2.0
   56    73    79    80   3.62500 -1.0 2.0
   56    73    79    83   3.62500 -1.0 2.0
   57    56    73    74   3.62500 -1.0 2.0
   57    56    73    79   3.62500 -1.0 2.0
   73    79   -80    46   3.62500 -1.0 2.0
   73    79    80    81   3.62500 -1.0 2.0
   73    79    83    82   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    83   3.62500 -1.0 2.0
   79    80   -81    82   3.62500 -1.0 2.0
   80    46    49    50   3.62500 -1.0 2.0
   80    46   -49    56   3.62500 -1.0 2.0
   80    79   -83    82   3.62500 -1.0 2.0
   80    81   -82    83   3.62500 -1.0 2.0
   81    82   -83    79   3.62500 -1.0 2.0
   83    79    80    46   3.62500 -1.0 2.0
   83    79   -80    81   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    80   0.18050 -1.0 2.0
   47    51   -58    33  -0.54700  1.0 1.0
   47    51   -58    33   1.23000 -1.0 2.0
   47    51    58    59   1.00000 -1.0 2.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.00000  1.0 1.0
   47    51    60    63   0.00000  1.0 1.0
   47    52    64    75   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    64  -0.56150  1.0 1.0
   51    47    52    64   2.19150 -1.0 2.0
   58    33   -37    42   0.09700  1.0 1.0
   58    33   -37    42   0.15600 -1.0 2.0
   58    33   -37    42  -0.50800  1.0 3.0
   58    33    37    44   0.62150  1.0 1.0
   58    33    37    44   0.42850 -1.0 2.0
   58    33    37    44  -0.68200  1.0 3.0
   58    33    38    39   0.22950  1.0 3.0
   58    33    38    40   0.22950  1.0 3.0
   58    33    38    41   0.22950  1.0 3.0
   58    51    60    61  -0.18050  1.0 3.0
   58    51    60    62  -0.18050  1.0 3.0
   58    51    60    63  -0.18050  1.0 3.0
   60    51    58    33   1.00000 -1.0 2.0
   60    51    58    59   2.40850 -1.0 2.0
   52    47    51    58   7.00000 -1.0 2.0
   52    47    51    60   7.00000 -1.0 2.0
   52    64    75    76   0.08050  1.0 3.0
   52    64    75    77   0.08050  1.0 3.0
   52    64    75    78   0.08050  1.0 3.0
   53    52    64    75   3.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    65  -0.46850  1.0 1.0
   44    48    54    65   0.09300 -1.0 2.0
   44    48    54    65  -0.12850  1.0 3.0
   44    48    54    69  -0.46850  1.0 1.0
   44    48    54    69   0.09300 -1.0 2.0
   44    48    54    69  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    65    66   0.23400  1.0 3.0
   48    54    65    67   0.23400  1.0 3.0
   48    54    65    68   0.23400  1.0 3.0
   48    54    69    70   0.23400  1.0 3.0
   48    54    69    71   0.23400  1.0 3.0
   48    54    69    72   0.23400  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   55    54    69    70   0.15000  1.0 3.0
   55    54    69    71   0.15000  1.0 3.0
   55    54    69    72   0.15000  1.0 3.0
   65    54    69    70   0.15000  1.0 3.0
   65    54    69    71   0.15000  1.0 3.0
   65    54    69    72   0.15000  1.0 3.0
   69    54    65    66   0.15000  1.0 3.0
   69    54    65    67   0.15000  1.0 3.0
   69    54    65    68   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    58    51   0.25450  1.0 1.0
   38    33    58    51  -0.61700 -1.0 2.0
   38    33    58    51  -0.23550  1.0 3.0
   38    33    58    59   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    80    46    42   4.00000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   73    57    56    49   1.10000 -1.0 2.0
   79    74    73    56   1.10000 -1.0 2.0
   80    83    79    73   4.00000 -1.0 2.0
   79    81    80    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   60    58    51    47   1.10000 -1.0 2.0
   59    51    58    33   1.00000 -1.0 2.0
   47    64    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
