* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    163    244     477
    1     0 S   NP   _N1_     1    29.44836   101.32299   -20.89793
    2     1 S   H    _HN1     2     1.02773    91.49121   -94.09562
    3     1 S   H    _H1_     3     1.02953    51.93817    18.25029
    4     1 S   H    _H2_     4     1.02833    66.20758   156.95138
    5     1 S   CT   _CA1     5     1.50122   155.07969    68.77863
    6     5 S   HC   _HA1     6     1.09572   105.19926   136.98950
    7     5 S   CO3  _C1_     7     1.53781   112.47859    16.81565
    8     7 S   O2Z  _O11     8     1.26386   114.92497   -40.57708
    9     7 S   O2Z  _O12     9     1.26233   115.00661   138.61517
   10     5 S   CT   _CB1    10     1.53118   107.43477  -104.99517
   11    10 S   HC   HB11    11     1.09818   109.38481   -49.73097
   12    10 S   HC   HB12    12     1.09811   110.46571    66.94785
   13    10 S   CT   _CG1    13     1.52907   112.50238  -170.74946
   14    13 S   HC   HG11    14     1.09543   110.44283   -65.42570
   15    13 S   HC   HG12    15     1.09671   109.83345    53.62700
   16    13 S   C    _CD1    16     1.51837   112.58674   174.08017
   17    16 S   O    _OE1    17     1.22712   123.41219     2.22686
   18    16 S   N    _N2_    18     1.38437   111.43957  -177.86238
   19    18 S   H    _HN2    19     1.01784   118.58751     4.19372
   20    18 S   CT1  _CA2    20     1.45878   123.46460   177.11066
   21    20 S   HC   _HA2    21     1.09708   109.17227    22.44996
   22    20 S   C    _C2_    22     1.52924   106.82694   -94.57541
   23    22 S   O    _O2_    23     1.22978   123.09176   -26.91154
   24    20 S   CT   _CB2    32     1.53228   111.46277   146.07207
   25    24 S   HC   HB21    33     1.09293   108.99717    49.32466
   26    24 S   HC   HB22    34     1.09505   110.80377   167.71690
   27    22 S   N    _N3_    24     1.38515   112.55687   155.78322
   28    27 S   H    _HN3    25     1.01658   120.36066    -2.00438
   29    24 S   S    _SG2    35     1.82875   110.69996   -73.12057
   30    27 S   CT   _CA3    26     1.45356   122.42861   178.64998
   31    30 S   HC   HA31    27     1.09569   107.74424   -56.81522
   32    30 S   HC   HA32    28     1.09564   107.65699    59.49281
   33    29 S   CT   _C11    36     1.88406   102.62285   150.44449
   34    30 S   CO3  _C3_    29     1.52879   114.38314  -178.72651
   35    34 S   O2Z  _O31    30     1.26328   116.08762    -1.26517
   36    34 S   O2Z  _O32    31     1.26442   114.40292   178.72528
   37    33 S   CT   _C10    37     1.57016   107.93384   -69.63718
   38    37 S   HC   _H12    38     1.09494   110.22341  -177.41033
   39    37 S   HC   _H13    39     1.09949   107.53642    73.57507
   40    33 S   CT   _C12    58     1.60310   107.97853   167.62648
   41    40 S   OM   _O35    59     1.32909   110.52661   -66.92519
   42    40 S   HC   _H6_    60     1.08735   105.25362    59.38223
   43    33 S   CT   _C17    86     1.55484   109.71224    46.81583
   44    43 S   HC   _H19    87     1.09561   112.50447    53.97884
   45    43 S   HC   _H20    88     1.09483   112.50911   -67.02901
   46    43 S   HC   _H21    89     1.09576   110.81199   174.63454
   47    37 S   CT   _C9_    40     1.55111   122.01901   -48.16000
   48    47 S   HC   _H5_    41     1.09608   109.38022    64.73331
   49    47 S   CT   _C8_    42     1.54645   117.59423   -57.81227
   50    49 S   HC   _H4_    43     1.09314   108.83684    68.55245
   51    47 S   OS   _O36    75     1.45769   106.27890  -178.85397
   52    49 S   CM   _C22    44     1.49702   111.71671  -172.09475
   53    51 S   CO4  _C18    76     1.36045   117.84354   -87.78558
   54    53 S   O    _O37    77     1.22285   126.01544     2.60820
   55    52 S   CO4  _C24    45     1.47371   109.48883   103.33789
   56    55 S   O    _O38    46     1.21725   127.19872  -171.07535
   57    52 S   CM   _C23    72     1.33532   128.16294   -78.53327
   58    57 S   HC   _H27    73     1.08490   120.83958     1.17736
   59    57 S   HC   _H28    74     1.08523   121.71721  -179.19985
   60    53 S   CM   _C19    78     1.48900   109.49739  -177.49806
   61    55 S   OS   _O39    47     1.36236   106.98474     8.32034
   62    60 S   CM   _C20    79     1.34145   117.37081  -179.63363
   63    62 S   HC   _H22    80     1.08550   120.93907  -179.81655
   64    62 S   HC   _H23    81     1.08531   122.48872    -0.05595
   65    60 S   CT   _C21    82     1.49761   120.16561     0.50783
   66    65 S   HC   _H24    83     1.09497   110.67222   -58.87322
   67    65 S   HC   _H25    84     1.09449   110.53953    61.70593
   68    65 S   HC   _H26    85     1.09537   111.87762  -178.60815
   69    49 S   CT   _C7_    48     1.53233   114.95465   -58.28885
   70    69 S   HC   _H3_    49     1.08742   113.14868    17.42340
   71    69 S   CM   _C6_    50     1.50930   113.15070   144.79580
   72    71 S   HC   _H11    51     1.09133   112.86667    76.48467
   73    71 S   CM   _C5_    52     1.35023   130.57570  -104.88650
   74    73 S   CT   _C14    53     1.52583   129.85879     3.15095
   75    74 S   HC   _H7_    54     1.09880   106.79849   148.26444
   76    73 S   CT   _C4_    68     1.51596   117.86785  -176.76433
   77    76 S   HC   _H8_    69     1.09514   110.26393   122.32914
   78    76 S   HC   _H9_    70     1.09516   112.82145     2.31900
   79    76 S   HC   _H10    71     1.09516   110.20199  -117.78790
   80    74 S   CT   _C13    55     1.54718   120.41651    26.53424
   81    80 S   HC   _H14    56     1.10187   108.00563   179.92338
   82    80 S   HC   _H15    57     1.08878   107.73394   -70.33927
   83    74 S   OS   _O33    61     1.45279   105.72553   -95.99205
   84    83 S   CO4  _C15    62     1.36197   118.07242  -143.51481
   85    84 S   O    _O34    63     1.22288   126.68512     0.26319
   86    84 S   CT   _C16    64     1.49859   109.37089  -179.76761
   87    86 S   HC   _H16    65     1.09291   109.83062   -61.00177
   88    86 S   HC   _H17    66     1.09380   109.36949   179.95154
   89    86 S   HC   _H18    67     1.09292   109.82902    60.91597
  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  13   5   4   3
  18   2   1   1  18   7   6  14   6   5   5   2   1   1  14   6
  15   8   7   9   9   3   8   3   4   1   1   7   5   6   2   1
   3   2   1   1   6   3  10   3  11  12   6   5   2   1   1   4
   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    80    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    74    80    81    82    40    41    42    51    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    52    69    80    40    41    42    51    53    43    44    45    46  
   39    47    48    49    40    51    43  
   47    48    49    40    51    43  
   41    42    83    43    44    45    46    47    73    74    75    80    81    82  
   42    43    74    80    81    82  
   43    74    80    81    82  
   44    45    46    47    80  
   45    46  
   46  
    0  
   48    49    50    52    55    61    69    70    71    57    51    53    54    60  
   49    50    52    69    51    53  
   50    52    55    56    61    69    70    71    72    73    57    58    59    51    53  
   52    55    61    69    70    71    57    51  
   53    54    60    62    65    52    69  
   55    56    61    69    70    71    57    58    59  
   54    60    62    63    64    65    66    67    68  
   60    62    65  
   56    61    69    70    71    57    58    59  
   61    69    57  
   58    59    61    69  
   59  
    0  
   62    63    64    65    66    67    68  
   69    70    71    72    73  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    76  
   71    72    73  
   72    73    74    75    80    83    76    77    78    79  
   73    74    76  
   74    75    80    81    82    83    84    76    77    78    79  
   75    80    81    82    83    84    85    86    76    77    78    79  
   80    81    82    83    84    76  
   77    78    79    80    83  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83  
   83  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    69   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   61    69   320.000  1.410
   69    70   340.000  1.090
   69    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    76   317.000  1.510
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   83    84   214.000  1.327
   84    85   570.000  1.229
   84    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   320.000  1.462
   60    62   549.000  1.340
   60    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    69    58.35000  112.70000
   47    51    53    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    69    61    50.00000  109.50000
   49    69    70    37.50000  110.70000
   49    69    71    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    61    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    61    69    83.00000  116.90000
   61    55    56    83.00000  123.40000
   61    69    70    35.00000  109.50000
   61    69    71    85.00000  110.90400
   69    49    50    37.50000  110.70000
   69    49    52    70.00000  112.02700
   69    71    72    35.00000  117.00000
   69    71    73    70.00000  124.00000
   71    69    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    76    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    80    70.00000  112.02700
   73    74    83    85.00000  110.90400
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    40    58.35000  112.70000
   74    83    84    83.00000  116.90000
   80    74    75    37.50000  110.70000
   80    40    41    50.00000  109.50000
   80    40    42    37.50000  110.70000
   82    80    81    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    80    81    37.50000  110.70000
   40    80    82    37.50000  110.70000
   42    40    41    45.00000  125.66300
   83    74    75    35.00000  109.50000
   83    74    80    50.00000  109.50000
   83    84    85    83.00000  123.40000
   83    84    86    81.00000  111.40000
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    35.00000  109.50000
   86    84    85    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    73    74    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    90.00000  111.29400
   53    60    62    65.00000  118.96000
   53    60    65    65.00000  116.34900
   60    53    54    80.00000  123.72100
   60    62    63    35.00000  120.00000
   60    62    64    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    62    63    35.00000  117.00000
   65    60    62    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    51   0.62750  1.0 1.0
   33    37    47    51  -0.30950 -1.0 2.0
   33    37    47    51   0.27300  1.0 3.0
   37    33    40    80   0.56750  1.0 1.0
   37    33    40    80  -0.07550 -1.0 2.0
   37    33    40    80   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    52   0.34400  1.0 1.0
   37    47    49    52   0.09450 -1.0 2.0
   37    47    49    52   0.11100  1.0 3.0
   37    47    49    69   0.56750  1.0 1.0
   37    47    49    69  -0.07550 -1.0 2.0
   37    47    49    69   0.20000  1.0 3.0
   37    47    51    53  -0.25900  1.0 1.0
   37    47    51    53  -0.47000 -1.0 2.0
   37    47    51    53   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    51   0.23400  1.0 3.0
   47    49    52    55   0.09700  1.0 1.0
   47    49    52    55   0.15600 -1.0 2.0
   47    49    52    55  -0.50800  1.0 3.0
   47    49    52    57   0.09850  1.0 1.0
   47    49    52    57   0.15250 -1.0 2.0
   47    49    52    57  -0.50650  1.0 3.0
   47    49    69    61   0.62750  1.0 1.0
   47    49    69    61  -0.30950 -1.0 2.0
   47    49    69    61   0.27300  1.0 3.0
   47    49    69    70   0.15000  1.0 3.0
   47    49    69    71   0.34400  1.0 1.0
   47    49    69    71   0.09450 -1.0 2.0
   47    49    69    71   0.11100  1.0 3.0
   47    51    53    54   3.00000 -1.0 2.0
   47    51    53    60   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    69   0.15000  1.0 3.0
   48    47    51    53   0.08050  1.0 3.0
   49    47    51    53  -0.25900  1.0 1.0
   49    47    51    53  -0.47000 -1.0 2.0
   49    47    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    61  -0.15000  1.0 1.0
   49    52   -55    61   0.89550 -1.0 2.0
   49    52   -55    61  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    69    71    72   0.00000  1.0 1.0
   49    69    71    73   0.09850  1.0 1.0
   49    69    71    73   0.15250 -1.0 2.0
   49    69    71    73  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    69    61   0.23400  1.0 3.0
   50    49    69    70   0.15000  1.0 3.0
   50    49    69    71   0.15000  1.0 3.0
   52    49   -69    61   0.61850  1.0 1.0
   52    49   -69    61  -0.22750 -1.0 2.0
   52    49   -69    61   0.15300  1.0 3.0
   52    49    69    70   0.15000  1.0 3.0
   52    49    69    71   0.31000  1.0 1.0
   52    49    69    71   0.14700 -1.0 2.0
   52    49    69    71   0.07550  1.0 3.0
   52    55   -61    69   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    61   -69    49  -0.25900  1.0 1.0
   55    61   -69    49  -0.47000 -1.0 2.0
   55    61   -69    49   0.11750  1.0 3.0
   55    61    69    70   0.08050  1.0 3.0
   55    61    69    71  -0.82050  1.0 1.0
   55    61    69    71   0.00600 -1.0 2.0
   55    61    69    71   0.04400  1.0 3.0
   56    55    61    69   3.00000 -1.0 2.0
   61    69    71    72   0.00000  1.0 1.0
   61    69    71    73   0.39000  1.0 1.0
   61    69    71    73  -0.05800 -1.0 2.0
   61    69    71    73  -0.55150  1.0 3.0
   69    49   -52    55   0.09700  1.0 1.0
   69    49   -52    55   0.15600 -1.0 2.0
   69    49   -52    55  -0.50800  1.0 3.0
   69    49    52    57   0.09850  1.0 1.0
   69    49    52    57   0.15250 -1.0 2.0
   69    49    52    57  -0.50650  1.0 3.0
   69    71    73    74   7.00000 -1.0 2.0
   69    71    73    76   7.00000 -1.0 2.0
   70    69    71    72   0.33100  1.0 3.0
   70    69    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    80   0.09850  1.0 1.0
   71    73    74    80   0.15250 -1.0 2.0
   71    73    74    80  -0.50650  1.0 3.0
   71    73    74    83   0.39000  1.0 1.0
   71    73    74    83  -0.05800 -1.0 2.0
   71    73    74    83  -0.55150  1.0 3.0
   71    73    76    77   0.00000  1.0 1.0
   71    73    76    78   0.00000  1.0 1.0
   71    73    76    79   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    76   7.00000 -1.0 2.0
   73    74    80    81   0.15000  1.0 3.0
   73    74    80    82   0.15000  1.0 3.0
   73    74    80    40   0.34400  1.0 1.0
   73    74    80    40   0.09450 -1.0 2.0
   73    74    80    40   0.11100  1.0 3.0
   73    74    83    84  -0.82050  1.0 1.0
   73    74    83    84   0.00600 -1.0 2.0
   73    74    83    84   0.04400  1.0 3.0
   74    73    76    77   0.34800  1.0 3.0
   74    73    76    78   0.34800  1.0 3.0
   74    73    76    79   0.34800  1.0 3.0
   74    80    40    33   0.56750  1.0 1.0
   74    80    40    33  -0.07550 -1.0 2.0
   74    80    40    33   0.20000  1.0 3.0
   74    80    40    41   0.62750  1.0 1.0
   74    80    40    41  -0.30950 -1.0 2.0
   74    80    40    41   0.27300  1.0 3.0
   74    80    40    42   0.15000  1.0 3.0
   74    83    84    85   3.00000 -1.0 2.0
   74    83    84    86   1.63150  1.0 1.0
   74    83    84    86   2.92000 -1.0 2.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    40   0.15000  1.0 3.0
   75    74    83    84   0.08050  1.0 3.0
   80    74    83    84  -0.25900  1.0 1.0
   80    74    83    84  -0.47000 -1.0 2.0
   80    74    83    84   0.11750  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.23400  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   82    80    40    33   0.15000  1.0 3.0
   82    80    40    41   0.23400  1.0 3.0
   82    80    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   83    74    80    81   0.23400  1.0 3.0
   83    74    80    82   0.23400  1.0 3.0
   83    74    80    40   0.62750  1.0 1.0
   83    74    80    40  -0.30950 -1.0 2.0
   83    74    80    40   0.27300  1.0 3.0
   83    84    86    87   0.00000  1.0 1.0
   83    84    86    88   0.00000  1.0 1.0
   83    84    86    89   0.00000  1.0 1.0
   85    84    86    87   0.00000  1.0 1.0
   85    84    86    88   0.00000  1.0 1.0
   85    84    86    89   0.00000  1.0 1.0
   76    73    74    75   0.34800  1.0 3.0
   76    73    74    80   0.46850  1.0 1.0
   76    73    74    80   0.08550 -1.0 2.0
   76    73    74    80   0.09800  1.0 3.0
   76    73    74    83   0.09700  1.0 1.0
   76    73    74    83   0.15600 -1.0 2.0
   76    73    74    83  -0.50800  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    61  -0.56150  1.0 1.0
   57    52    55    61   2.19150 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    69   0.62750  1.0 1.0
   51    47    49    69  -0.30950 -1.0 2.0
   51    47    49    69   0.27300  1.0 3.0
   51    53    60    62  -0.56150  1.0 1.0
   51    53    60    62   2.19150 -1.0 2.0
   51    53    60    65  -0.15000  1.0 1.0
   51    53    60    65   0.89550 -1.0 2.0
   51    53    60    65  -0.06900  1.0 3.0
   53    60    62    63   7.00000 -1.0 2.0
   53    60    62    64   7.00000 -1.0 2.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    68   0.15000  1.0 3.0
   54    53    60    62   1.00000 -1.0 2.0
   54    53    60    65  -0.64400  1.0 1.0
   54    53    60    65   0.26850 -1.0 2.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   62    60    65    68   0.00000  1.0 1.0
   65    60    62    63   7.00000 -1.0 2.0
   65    60    62    64   7.00000 -1.0 2.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    80   0.56750  1.0 1.0
   43    33    40    80  -0.07550 -1.0 2.0
   43    33    40    80   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    61    55    56  10.50000 -1.0 2.0
   69    72    71    73   1.10000 -1.0 2.0
   74    76    73    71   1.10000 -1.0 2.0
   83    86    84    85  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
   53    65    60    62  15.00000 -1.0 2.0
   63    64    62    60  15.00000 -1.0 2.0
END
