* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    161    246     459
    1     0 S   NP   _N1_     1    28.69496    94.79824   -21.54534
    2     1 S   H    _HN1     2     1.02790    93.09218   -83.07044
    3     1 S   H    _H1_     3     1.02953    86.35208    25.08020
    4     1 S   H    _H2_     4     1.02837    31.51087   157.01999
    5     1 S   CT   _CA1     5     1.50095   141.77645   144.13876
    6     5 S   HC   _HA1     6     1.09583   105.21217    66.43347
    7     5 S   CO3  _C1_     7     1.53742   112.30525   -53.68147
    8     7 S   O2Z  _O11     8     1.26348   115.06039   -47.88677
    9     7 S   O2Z  _O12     9     1.26254   114.91119   131.32392
   10     5 S   CT   _CB1    10     1.53103   107.41276  -175.82970
   11    10 S   HC   HB11    11     1.09823   109.21452   -51.68534
   12    10 S   HC   HB12    12     1.09816   110.53327    64.86048
   13    10 S   CT   _CG1    13     1.52976   112.62581  -172.80423
   14    13 S   HC   HG11    14     1.09546   110.39092   -65.40560
   15    13 S   HC   HG12    15     1.09661   109.99133    53.77652
   16    13 S   C    _CD1    16     1.51812   112.37787   174.03971
   17    16 S   O    _OE1    17     1.22723   123.28589    -2.12302
   18    16 S   N    _N2_    18     1.38601   111.58671   178.29877
   19    18 S   H    _HN2    19     1.01591   119.02483     0.52339
   20    18 S   CT1  _CA2    20     1.46291   123.50160   178.33012
   21    20 S   HC   _HA2    21     1.09739   109.34196    -7.30689
   22    20 S   C    _C2_    22     1.53468   108.51133  -122.67517
   23    22 S   O    _O2_    23     1.23030   122.40366  -149.81798
   24    20 S   CT   _CB2    32     1.53313   111.31758   114.81908
   25    24 S   HC   HB21    33     1.09512   109.60209    53.77729
   26    24 S   HC   HB22    34     1.09496   110.70702   172.85762
   27    22 S   N    _N3_    24     1.38381   113.52972    37.85323
   28    27 S   H    _HN3    25     1.01624   119.46613    -3.67951
   29    24 S   S    _SG2    35     1.82836   111.16550   -67.64470
   30    27 S   CT   _CA3    26     1.45277   123.16391   176.96513
   31    30 S   HC   HA31    27     1.09551   107.53350   -63.84695
   32    30 S   HC   HA32    28     1.09558   107.94962    52.57385
   33    29 S   CT   _C23    36     1.82049    99.60824   170.77780
   34    33 S   HC   _H3_    37     1.09503   107.11548    53.37356
   35    33 S   HC   _H4_    38     1.09216   108.69068   166.59777
   36    30 S   CO3  _C3_    29     1.52939   114.10708   174.55169
   37    36 S   O2Z  _O31    30     1.26369   116.05125    -0.72064
   38    36 S   O2Z  _O32    31     1.26428   114.41571   179.33854
   39    33 S   CM   _C6_    39     1.50683   112.90881   -70.98983
   40    39 S   CMA  _C7_    40     1.35309   124.33420   126.39763
   41    40 S   OM   _O21    41     1.26342   127.96539     4.00648
   42    40 S   OS   _O24    42     1.41337   110.24029  -173.17114
   43    42 S   CT   _C16    43     1.43525   106.84137   -15.64689
   44    43 S   HC   _H37    44     1.09615   106.18013   -95.08409
   45    39 S   CT   _C15    45     1.50994   123.86007   -47.01461
   46    45 S   HC   _H36    46     1.09846   106.37095    73.25690
   47    43 S   C3T  _C17    61     1.49742   108.01849   144.94005
   48    47 S   HC   _H38    62     1.08265   112.47985   -77.06658
   49    45 S   CT   _C18    47     1.56875   120.76461   -50.88905
   50    49 S   HC   _H39    48     1.09711   109.06222  -100.44954
   51    78 S   O3T  _O26    63     1.43691   116.09948  -143.40354
   52    49 S   CT   _C12    49     1.55545   112.63653   137.60025
   53    52 S   HC   _H31    50     1.09778   109.54609   -47.46008
   54    52 S   HC   _H32    51     1.09739   110.20613  -162.00901
   55    49 S   OS   _O27    71     1.44590   110.94633    18.83691
   56    52 S   CM   _C5_    52     1.48141   112.74926    76.27837
   57    55 S   CO4  _C11    72     1.36137   117.65904  -150.55346
   58    57 S   O    _O23    73     1.21906   126.79755     1.82435
   59    56 S   CM   _C4_    53     1.33015   129.45401   -98.10986
   60    59 S   HC   _H29    54     1.08059   124.74912    -3.07651
   61    57 S   CM   _C9_    74     1.48224   107.30391  -178.41267
   62    61 S   HC   _H30    75     1.08722   115.18337   -20.42963
   63    59 S   CT   _C14    55     1.47945   110.68025   166.43368
   64    63 S   HC   _H35    56     1.09461   111.35634   128.38832
   65    61 S   CM   _C10    76     1.34561   125.52708   160.49514
   66    63 S   CT   _C13    57     1.54484   112.72273  -106.33924
   67    66 S   HC   _H33    58     1.09658   109.32025   171.95309
   68    66 S   HC   _H34    59     1.09771   108.86949   -71.62997
   69    63 S   OS   _O25    68     1.43391   103.47787    12.31100
   70    65 S   CT   _C20    77     1.50716   119.77914   177.51801
   71    70 S   HC   _H40    78     1.09498   110.32101   118.32265
   72    70 S   HC   _H41    79     1.09521   112.45466    -1.84748
   73    70 S   HC   _H42    80     1.09505   110.16086  -121.84037
   74    65 S   CT   _C21    81     1.50334   126.18579    -3.23979
   75    74 S   HC   _H43    82     1.09452   110.15083   104.77402
   76    74 S   HC   _H44    83     1.09167   113.52293   -17.30032
   77    74 S   HC   _H45    84     1.09584   110.12818  -136.01301
   78    66 S   C3T  _C19    60     1.52003   113.19435    50.53085
   79    56 S   CO4  _C8_    69     1.46890   124.07766    78.87005
   80    79 S   O    _O22    70     1.21845   125.72627     7.11477
   81    78 S   CT   _C22    64     1.50275   117.59311    81.66918
   82    81 S   HC   _H46    65     1.09588   111.65124   147.47687
   83    81 S   HC   _H47    66     1.09468   111.09551    28.02760
   84    81 S   HC   _H48    67     1.09230   111.22593   -92.58465
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5  12   4
  11   6   9  11   5   4   6   8   6   3  10   5  10   3   9   6
   8   9   4   3   3   7   3   2   1   3   2   1   1   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    52    47    55  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    78    47    48    51  
   44    45    46    49    50    52    66    78    47    48    51    81    55  
   45    46    49    78    47    48    51  
   46    49    50    52    53    54    56    78    47    48    51    55    57  
   49    50    52    47    55  
   48    51    81    82    83    84    49    63    66    67    68    78  
   51    81    66    78  
   50    52    53    54    56    59    79    55    57    58    61  
   52    53    54    56    55    57  
   81    82    83    84    63    66    67    68    78  
   53    54    56    59    60    63    69    79    80    55    57  
   54    56    59    79    55  
   56    59    79    55  
   57    58    61    62    65    56  
   59    60    63    64    66    69    79    80  
   58    61    62    65    70    74  
   61    62    65  
   60    63    64    66    67    68    78    69    79    80  
   63    64    66    69    79  
   62    65    70    71    72    73    74    75    76    77  
   65    70    74  
   64    66    67    68    78    81    69    79    80  
   66    67    68    78    69    79  
   70    71    72    73    74    75    76    77  
   67    68    78    81    82    83    84    69    79  
   68    78    81    69  
   78    81    69  
   79    80    78  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   81    82    83    84  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   275.000  1.510
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.510
   56    59   549.000  1.340
   56    79   320.000  1.462
   59    60   340.000  1.080
   59    63   317.000  1.510
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    78   275.000  1.510
   78    47   260.000  1.509
   78    51   335.000  1.432
   78    81   275.000  1.510
   47    48   340.000  1.088
   47    51   335.000  1.432
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    79   214.000  1.327
   79    80   570.000  1.229
   55    57   214.000  1.327
   57    58   570.000  1.229
   57    61   320.000  1.462
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    70   317.000  1.510
   65    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    78    60.00000  120.94000
   43    47    48    40.00000  115.04500
   43    47    51    80.00000  116.47100
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    58.35000  112.70000
   45    49    55    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    56    70.00000  112.02700
   49    55    57    83.00000  116.90000
   52    49    50    37.50000  110.70000
   52    56    59    70.00000  124.00000
   52    56    79    65.00000  116.34900
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    59    60    35.00000  120.00000
   56    59    63    70.00000  124.00000
   56    79    69    90.00000  111.29400
   56    79    80    80.00000  123.72100
   59    63    64    35.00000  109.50000
   59    63    66    70.00000  112.02700
   59    63    69    85.00000  110.90400
   63    59    60    35.00000  117.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    78    70.00000  112.37300
   63    69    79    83.00000  116.90000
   66    63    64    37.50000  110.70000
   66    78    47    60.00000  120.94000
   66    78    51    80.00000  116.47100
   66    78    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   78    66    67    45.00000  109.38400
   78    66    68    45.00000  109.38400
   78    47    48    37.50000  117.20000
   78    47    51    15.00000   60.43100
   78    51    47    15.00000   59.14900
   78    81    82    45.00000  109.38400
   78    81    83    45.00000  109.38400
   78    81    84    45.00000  109.38400
   47    43    44    45.00000  109.38400
   47    43    45    70.00000  112.37300
   51    78    47    15.00000   60.43100
   51    47    48    50.00000  114.27700
   81    78    47    60.00000  120.94000
   81    78    51    80.00000  116.47100
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    66    50.00000  109.50000
   69    79    80    83.00000  123.40000
   79    56    59    65.00000  118.96000
   55    49    50    35.00000  109.50000
   55    49    52    50.00000  109.50000
   55    57    58    83.00000  123.40000
   55    57    61    90.00000  111.29400
   57    61    62    40.00000  117.72500
   57    61    65    65.00000  118.96000
   61    57    58    80.00000  123.72100
   61    65    70    70.00000  124.00000
   61    65    74    70.00000  124.00000
   65    61    62    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    52   0.34400  1.0 1.0
   39    45    49    52   0.09450 -1.0 2.0
   39    45    49    52   0.11100  1.0 3.0
   39    45    49    55   0.61850  1.0 1.0
   39    45    49    55  -0.22750 -1.0 2.0
   39    45    49    55   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    78  -0.26800  1.0 1.0
   42    43    47    78   0.69150 -1.0 2.0
   42    43    47    78  -0.48750  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    51   1.11900  1.0 1.0
   42    43    47    51  -1.16350 -1.0 2.0
   42    43    47    51  -0.34150  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    52   0.56750  1.0 1.0
   43    45    49    52  -0.07550 -1.0 2.0
   43    45    49    52   0.20000  1.0 3.0
   43    45    49    55   0.62750  1.0 1.0
   43    45    49    55  -0.30950 -1.0 2.0
   43    45    49    55   0.27300  1.0 3.0
   43    47   -51    78   0.06250  1.0 1.0
   43    47   -51    78  -0.01100 -1.0 2.0
   43    47   -51    78   0.28050  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    78   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    78   0.07850  1.0 1.0
   45    43    47    78  -0.03950 -1.0 2.0
   45    43    47    78   0.67350  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    51   0.02550  1.0 1.0
   45    43    47    51  -0.02600 -1.0 2.0
   45    43    47    51   1.20400  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49    52    56   0.34400  1.0 1.0
   45    49    52    56   0.09450 -1.0 2.0
   45    49    52    56   0.11100  1.0 3.0
   45    49    55    57  -0.25900  1.0 1.0
   45    49    55    57  -0.47000 -1.0 2.0
   45    49    55    57   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   49    52    56    59   0.09850  1.0 1.0
   49    52    56    59   0.15250 -1.0 2.0
   49    52    56    59  -0.50650  1.0 3.0
   49    52    56    79   0.09700  1.0 1.0
   49    52    56    79   0.15600 -1.0 2.0
   49    52    56    79  -0.50800  1.0 3.0
   49    55    57    58   3.00000 -1.0 2.0
   49    55    57    61   2.00000 -1.0 2.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   50    49    55    57   0.08050  1.0 3.0
   52    49    55    57  -0.25900  1.0 1.0
   52    49    55    57  -0.47000 -1.0 2.0
   52    49    55    57   0.11750  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56    59    63   7.00000 -1.0 2.0
   52    56    79    69  -0.15000  1.0 1.0
   52    56    79    69   0.89550 -1.0 2.0
   52    56    79    69  -0.06900  1.0 3.0
   52    56    79    80  -0.64400  1.0 1.0
   52    56    79    80   0.26850 -1.0 2.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    79   0.15000  1.0 3.0
   54    52    56    59   0.00000  1.0 1.0
   54    52    56    79   0.15000  1.0 3.0
   56    59    63    64   0.00000  1.0 1.0
   56    59    63    66   0.09850  1.0 1.0
   56    59    63    66   0.15250 -1.0 2.0
   56    59    63    66  -0.50650  1.0 3.0
   56    59   -63    69   0.39000  1.0 1.0
   56    59   -63    69  -0.05800 -1.0 2.0
   56    59   -63    69  -0.55150  1.0 3.0
   59    56   -79    69  -0.56150  1.0 1.0
   59    56   -79    69   2.19150 -1.0 2.0
   59    56    79    80   1.00000 -1.0 2.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    68   0.15000  1.0 3.0
   59    63    66    78   0.34400  1.0 1.0
   59    63    66    78   0.09450 -1.0 2.0
   59    63    66    78   0.11100  1.0 3.0
   59    63   -69    79  -0.82050  1.0 1.0
   59    63   -69    79   0.00600 -1.0 2.0
   59    63   -69    79   0.04400  1.0 3.0
   60    59    63    64   0.33100  1.0 3.0
   60    59    63    66   0.00000  1.0 1.0
   60    59    63    69   0.00000  1.0 1.0
   63    66    78    47   0.07850  1.0 1.0
   63    66    78    47  -0.03950 -1.0 2.0
   63    66    78    47   0.67350  1.0 3.0
   63    66    78    51   0.02550  1.0 1.0
   63    66    78    51  -0.02600 -1.0 2.0
   63    66    78    51   1.20400  1.0 3.0
   63    66    78    81   0.56750  1.0 1.0
   63    66    78    81  -0.07550 -1.0 2.0
   63    66    78    81   0.20000  1.0 3.0
   63    69   -79    56   2.00000 -1.0 2.0
   63    69    79    80   3.00000 -1.0 2.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    78   0.15000  1.0 3.0
   64    63    69    79   0.08050  1.0 3.0
   66    63    69    79  -0.25900  1.0 1.0
   66    63    69    79  -0.47000 -1.0 2.0
   66    63    69    79   0.11750  1.0 3.0
   66    78    47    43   0.56750  1.0 1.0
   66    78    47    43  -0.07550 -1.0 2.0
   66    78    47    43   0.20000  1.0 3.0
   66    78    47    48   0.15000  1.0 3.0
   66    78   -47    51   0.02550  1.0 1.0
   66    78   -47    51  -0.02600 -1.0 2.0
   66    78   -47    51   1.20400  1.0 3.0
   66    78   -51    47   0.06250  1.0 1.0
   66    78   -51    47  -0.01100 -1.0 2.0
   66    78   -51    47   0.28050  1.0 3.0
   66    78    81    82   0.15000  1.0 3.0
   66    78    81    83   0.15000  1.0 3.0
   66    78    81    84   0.15000  1.0 3.0
   67    66    78    47   0.15000  1.0 3.0
   67    66    78    51   0.23400  1.0 3.0
   67    66    78    81   0.15000  1.0 3.0
   68    66    78    47   0.15000  1.0 3.0
   68    66    78    51   0.23400  1.0 3.0
   68    66    78    81   0.15000  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.47050  1.0 1.0
   47    43    45    49   0.03900 -1.0 2.0
   47    43    45    49   0.20100  1.0 3.0
   47    78    81    82   0.15000  1.0 3.0
   47    78    81    83   0.15000  1.0 3.0
   47    78    81    84   0.15000  1.0 3.0
   48    47   -51    78   0.36800  1.0 3.0
   51    78   -47    43   0.02550  1.0 1.0
   51    78   -47    43  -0.02600 -1.0 2.0
   51    78   -47    43   1.20400  1.0 3.0
   51    78   -47    48   0.23400  1.0 3.0
   51    78    81    82   0.23400  1.0 3.0
   51    78    81    83   0.23400  1.0 3.0
   51    78    81    84   0.23400  1.0 3.0
   81    78    47    43   0.56750  1.0 1.0
   81    78    47    43  -0.07550 -1.0 2.0
   81    78    47    43   0.20000  1.0 3.0
   81    78    47    48   0.15000  1.0 3.0
   81    78   -47    51   0.02550  1.0 1.0
   81    78   -47    51  -0.02600 -1.0 2.0
   81    78   -47    51   1.20400  1.0 3.0
   81    78   -51    47   0.06250  1.0 1.0
   81    78   -51    47  -0.01100 -1.0 2.0
   81    78   -51    47   0.28050  1.0 3.0
   69    63    66    67   0.23400  1.0 3.0
   69    63    66    68   0.23400  1.0 3.0
   69    63    66    78  -0.26800  1.0 1.0
   69    63    66    78   0.69150 -1.0 2.0
   69    63    66    78  -0.48750  1.0 3.0
   79    56    59    60   7.00000 -1.0 2.0
   79    56   -59    63   7.00000 -1.0 2.0
   55    49    52    53   0.23400  1.0 3.0
   55    49    52    54   0.23400  1.0 3.0
   55    49    52    56   0.61850  1.0 1.0
   55    49    52    56  -0.22750 -1.0 2.0
   55    49    52    56   0.15300  1.0 3.0
   55    57    61    62   1.63100 -1.0 2.0
   55    57    61    65  -0.56150  1.0 1.0
   55    57    61    65   2.19150 -1.0 2.0
   57    61    65    70   7.00000 -1.0 2.0
   57    61    65    74   7.00000 -1.0 2.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    65   1.00000 -1.0 2.0
   61    65    70    71   0.00000  1.0 1.0
   61    65    70    72   0.00000  1.0 1.0
   61    65    70    73   0.00000  1.0 1.0
   61    65    74    75   0.00000  1.0 1.0
   61    65    74    76   0.00000  1.0 1.0
   61    65    74    77   0.00000  1.0 1.0
   62    61    65    70   7.00000 -1.0 2.0
   62    61    65    74   7.00000 -1.0 2.0
   70    65    74    75   0.34800  1.0 3.0
   70    65    74    76   0.34800  1.0 3.0
   70    65    74    77   0.34800  1.0 3.0
   74    65    70    71   0.34800  1.0 3.0
   74    65    70    72   0.34800  1.0 3.0
   74    65    70    73   0.34800  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    79    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   56    69    79    80  10.50000 -1.0 2.0
   55    61    57    58  10.50000 -1.0 2.0
   57    62    61    65  15.00000 -1.0 2.0
   70    74    65    61  15.00000 -1.0 2.0
END
