* LIGAND DATABASE FILE (OPLS2005)
*
001      85    89    165    263     483
    1     0 S   NP   _N1_     1    29.10284    92.09020   -19.44933
    2     1 S   H    _HN1     2     1.02757    93.43641   -50.51146
    3     1 S   H    _H1_     3     1.02943   108.22877    59.85375
    4     1 S   H    _H2_     4     1.02809    15.36290   147.44470
    5     1 S   CT   _CA1     5     1.50038   122.75382  -170.04485
    6     5 S   HC   _HA1     6     1.09588   105.16894    49.58462
    7     5 S   CO3  _C1_     7     1.53749   112.66333   -70.23538
    8     7 S   O2Z  _O11     8     1.26288   115.12377   -39.71306
    9     7 S   O2Z  _O12     9     1.26267   114.90834   139.46947
   10     5 S   CT   _CB1    10     1.53067   107.18488   167.16465
   11    10 S   HC   HB11    11     1.09791   108.85087   -53.06549
   12    10 S   HC   HB12    12     1.09851   110.48285    63.13670
   13    10 S   CT   _CG1    13     1.53047   112.91261  -174.72827
   14    13 S   HC   HG11    14     1.09566   109.88174   -67.26261
   15    13 S   HC   HG12    15     1.09619   110.48110    51.69290
   16    13 S   C    _CD1    16     1.51822   111.80961   171.00763
   17    16 S   O    _OE1    17     1.22808   122.66590   -30.54407
   18    16 S   N    _N2_    18     1.38526   112.33361   151.25598
   19    18 S   H    _HN2    19     1.01574   119.20123    -0.24549
   20    18 S   CT1  _CA2    20     1.46302   123.34737  -178.97798
   21    20 S   HC   _HA2    21     1.09746   109.20202   -19.49271
   22    20 S   C    _C2_    22     1.53415   108.14628  -135.06476
   23    22 S   O    _O2_    23     1.23000   122.38457  -145.47568
   24    20 S   CT   _CB2    32     1.53506   111.59478   102.68281
   25    24 S   HC   HB21    33     1.09556   109.70184    53.93351
   26    24 S   HC   HB22    34     1.09507   110.47150   172.98569
   27    22 S   N    _N3_    24     1.38559   113.25264    41.93307
   28    27 S   H    _HN3    25     1.01535   118.90016    -0.50513
   29    24 S   S    _SG2    35     1.82531   111.69610   -67.31706
   30    27 S   CT   _CA3    26     1.45437   123.35812   175.06148
   31    30 S   HC   HA31    27     1.09531   109.09735    26.77577
   32    30 S   HC   HA32    28     1.09491   107.14723   143.76891
   33    29 S   CT   _C24    36     1.82829    99.51899   175.14352
   34    33 S   HC   _H7_    37     1.09410   105.06863    59.29459
   35    30 S   CO3  _C3_    29     1.52941   113.25941   -96.59737
   36    35 S   O2Z  _O31    30     1.26392   115.48889   -42.37317
   37    35 S   O2Z  _O32    31     1.26368   114.92686   138.58406
   38    33 S   CM   _C21    38     1.52734   110.92603   177.63686
   39    38 S   CT   _C20    39     1.53272   115.44135    90.37227
   40    39 S   HC   _H6_    40     1.09934   109.21115   156.27954
   41    38 S   CMA  _C22    79     1.36938   122.68192   -91.64753
   42    41 S   OM   _O33    80     1.26985   125.48222  -178.25258
   43    39 S   CT   _C19    41     1.54353   112.39266   -85.95261
   44    43 S   HC   _H22    42     1.09544   111.42598    56.07508
   45    43 S   HC   _H23    43     1.09782   109.01404   -60.63827
   46    39 S   CT   _C6_    70     1.54376   111.62073    40.15927
   47    46 S   HC   _H4_    71     1.10027   107.21238    66.17150
   48    41 S   OS   _O34    81     1.41962   111.73784     0.99032
   49    43 S   CT   _C18    44     1.53514   111.18067   177.99777
   50    49 S   HC   _H5_    45     1.09988   108.91287    63.04177
   51    46 S   CT   _C5_    72     1.53958   109.83334   -50.37748
   52    51 S   HC   _H3_    73     1.09563   111.88403   -60.02597
   53    48 S   CT   _C23    82     1.42728   113.96214   138.49207
   54    53 S   HC   _H24    83     1.09403   107.75390  -170.95534
   55    53 S   HC   _H25    84     1.09477   111.02935    71.10259
   56    53 S   HC   _H26    85     1.09542   111.11520   -52.78023
   57    49 S   C5A  _C17    46     1.49953   112.60189  -178.20180
   58    33 S   OS   _O35    74     1.43232   113.97550   -53.42661
   59    51 S   CT   _C4_    75     1.52600   113.24524   178.10597
   60    59 S   HC   _H8_    76     1.09551   111.02402   -53.38118
   61    59 S   HC   _H9_    77     1.09596   110.26262  -171.30964
   62    59 S   HC   _H10    78     1.09327   111.95335    68.54770
   63    57 S   C5B  _C10    47     1.37924   125.00469   141.84868
   64    57 S   NA   _N5_    58     1.36633   126.71504   -41.70437
   65    64 S   H    _H21    59     1.01082   125.52444     2.03586
   66    63 S   C56B _C11    48     1.42024   107.78250   177.32716
   67    63 S   CT   _C9_    60     1.48890   121.11667    -3.11276
   68    67 S   HC   _H15    61     1.09556   110.56516   136.38846
   69    67 S   HC   _H16    62     1.09651   108.80716  -105.51733
   70    66 S   CA   _C12    49     1.40934   134.44431  -179.84677
   71    70 S   HA   _H17    50     1.08634   120.64908    -0.12354
   72    67 S   CT   _C8_    63     1.54708   110.86308    14.72716
   73    72 S   HC   _H13    64     1.09848   109.85002    77.68013
   74    72 S   HC   _H14    65     1.09694   107.66470  -165.98751
   75    70 S   CA   _C13    51     1.39949   119.27853   179.90721
   76    75 S   HA   _H18    52     1.08693   119.51018  -179.77619
   77    49 S   NT   _N4_    66     1.49076   109.54297   -56.63396
   78    75 S   CA   _C14    53     1.39338   120.73775     0.18131
   79    78 S   HA   _H19    54     1.08725   119.55592  -179.87805
   80    77 S   CT   _C7_    67     1.46641   110.32426    62.26112
   81    80 S   HC   _H11    68     1.09540   110.38741   175.33142
   82    80 S   HC   _H12    69     1.09875   110.24666    58.64239
   83    78 S   CA   _C15    55     1.39806   121.06028    -0.13417
   84    83 S   HA   _H20    56     1.08503   120.93570  -179.68847
   85    66 S   C56A _C16    57     1.39898   106.79518     0.10835
  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   7   5   4   3
  13   5   2   1   1  15  20   9   9   2  13   6   5  14   8   4
  15   6  10   6   3   2   1   1  13   5   4   2   1   1  15   9
   3  12   9   5   4   7   4   6   3   2   6   3   3   4   3   2
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    51    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    51    52    58    59    41    42    48  
   38    39    51    58    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    80    46    47    51    58    41    42    48    53  
   40    43    44    45    49    50    57    77    80    81    82    46    47    51    52    58    59    41    42    48  
   43    44    45    49    80    46    47    51    41  
   42    48    53    54    55    56    43    46    58  
   48    53  
   44    45    49    50    57    63    64    72    77    80    46    47    51  
   45    49    50    57    77    46  
   49    50    57    77    46  
   47    51    52    58    59    60    61    62    49    72    77    80    81    82  
   51    52    58    59    77    80    81    82  
   53    54    55    56  
   50    57    63    66    85    64    65    67    72    73    74    77    80    81    82  
   57    63    64    72    77    80  
   52    58    59    60    61    62    77    80    81    82  
   58    59    60    61    62    80  
   54    55    56  
   55    56  
   56  
    0  
   63    66    70    83    85    64    65    67    68    69    72    77    80  
   59    60    61    62    80  
   60    61    62    80  
   61    62  
   62  
    0  
   66    70    71    75    83    85    64    65    67    68    69    72    73    74    77  
   65    67    77    66    70    78    83    84    85  
   66    83    85  
   70    71    75    76    78    83    84    85    67    68    69    72  
   68    69    72    73    74    77    80    70    85  
   69    72    73    74    77  
   72    73    74    77  
   71    75    76    78    79    83    85  
   75    76    78    85  
   73    74    77    80    81    82  
   74    77    80  
   77    80  
   76    78    79    83    84    85  
   78    79    83  
   80    81    82  
   79    83    84    85  
   83    84    85  
   81    82  
   82  
    0  
   84    85  
   85  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   80   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    58   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    57   295.000  1.489
   49    77   382.000  1.448
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    66   380.000  1.440
   63    67   295.000  1.494
   66    70   469.000  1.404
   66    85   447.000  1.419
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   367.000  1.080
   75    78   469.000  1.400
   78    79   367.000  1.080
   78    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    64   428.000  1.380
   64    65   434.000  1.010
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   382.000  1.448
   77    80   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    46   268.000  1.529
   46    47   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    58    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    58    51    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    46    80    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    70.00000  113.44400
   43    49    77    56.20000  109.47000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    57    63    55.00000  130.44200
   49    57    64    65.00000  122.56900
   49    77    72    51.80000  107.20000
   49    77    80    51.80000  107.20000
   57    49    50    45.00000  110.47400
   57    63    66    80.00000  105.82900
   57    63    67    55.00000  127.77900
   57    64    85    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    66    70    50.00000  134.85500
   63    66    85    80.00000  107.43600
   63    67    68    45.00000  111.11700
   63    67    69    45.00000  111.11700
   63    67    72    70.00000  112.62400
   66    70    71    35.00000  120.00000
   66    70    75    63.00000  120.00000
   66    85    83    85.00000  122.70000
   66    85    64    70.00000  104.40000
   70    75    76    35.00000  120.00000
   70    75    78    63.00000  120.00000
   75    70    71    35.00000  120.00000
   75    78    79    35.00000  120.00000
   75    78    83    63.00000  120.00000
   78    75    76    35.00000  120.00000
   78    83    84    35.00000  120.00000
   78    83    85    85.00000  120.00000
   83    78    79    35.00000  120.00000
   83    85    64    70.00000  132.80000
   85    66    70    85.00000  116.20000
   85    83    84    35.00000  120.00000
   85    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   67    63    66    55.00000  128.73000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    77    56.20000  109.47000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    77    80    51.80000  107.20000
   74    72    73    33.00000  107.80000
   77    49    50    35.00000  109.50000
   77    49    57    75.00000  112.58000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    46    56.20000  109.47000
   80    46    47    37.50000  110.70000
   80    46    51    58.35000  112.70000
   82    80    81    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    80    81    37.50000  110.70000
   46    80    82    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    58    50.00000  109.50000
   46    51    59    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    85.00000  110.90400
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    48    53    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51  -0.77900  1.0 1.0
   38    33    58    51  -0.36900 -1.0 2.0
   38    33    58    51   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.34400  1.0 1.0
   38    39    43    49   0.09450 -1.0 2.0
   38    39    43    49   0.11100  1.0 3.0
   38    39    46    80   0.34400  1.0 1.0
   38    39    46    80   0.09450 -1.0 2.0
   38    39    46    80   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    51   0.34400  1.0 1.0
   38    39   -46    51   0.09450 -1.0 2.0
   38    39   -46    51   0.11100  1.0 3.0
   38    41    48    53  -2.26850  1.0 1.0
   38    41    48    53   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    57  -0.03700  1.0 1.0
   39    43    49    57   0.37200 -1.0 2.0
   39    43    49    57  -0.47300  1.0 3.0
   39    43    49    77   1.53400  1.0 1.0
   39    43    49    77  -0.09950 -1.0 2.0
   39    43    49    77   0.05700  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    58   0.62750  1.0 1.0
   39    46    51    58  -0.30950 -1.0 2.0
   39    46    51    58   0.27300  1.0 3.0
   39    46    51    59   0.56750  1.0 1.0
   39    46    51    59  -0.07550 -1.0 2.0
   39    46    51    59   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    46    80   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   43    39    46    80   0.56750  1.0 1.0
   43    39    46    80  -0.07550 -1.0 2.0
   43    39    46    80   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    51   0.56750  1.0 1.0
   43    39    46    51  -0.07550 -1.0 2.0
   43    39    46    51   0.20000  1.0 3.0
   43    49    57    63   0.04150 -1.0 2.0
   43    49    57    64   0.39850  1.0 1.0
   43    49    57    64   0.06450 -1.0 2.0
   43    49    57    64   0.32400  1.0 3.0
   43    49    77    72   0.23450  1.0 1.0
   43    49    77    72   0.02050 -1.0 2.0
   43    49    77    72   0.25250  1.0 3.0
   43    49   -77    80   0.23450  1.0 1.0
   43    49   -77    80   0.02050 -1.0 2.0
   43    49   -77    80   0.25250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.43200  1.0 3.0
   44    43    49    77   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    57   0.43200  1.0 3.0
   45    43    49    77   0.15000  1.0 3.0
   49    57    63    66   3.62500 -1.0 2.0
   49    57    63    67   3.62500 -1.0 2.0
   49    57    64    85   3.62500 -1.0 2.0
   49    57    64    65   2.00000 -1.0 2.0
   49    77    80    81   0.28000  1.0 3.0
   49    77    80    82   0.28000  1.0 3.0
   49    77    80    46   0.23450  1.0 1.0
   49    77    80    46   0.02050 -1.0 2.0
   49    77    80    46   0.25250  1.0 3.0
   50    49    57    63   0.00000  1.0 1.0
   50    49    57    64   0.00000  1.0 1.0
   50    49    77    72   0.28000  1.0 3.0
   50    49    77    80   0.28000  1.0 3.0
   57    49    77    72   0.82600  1.0 1.0
   57    49    77    72  -0.32100 -1.0 2.0
   57    49    77    72   1.02000  1.0 3.0
   57    49    77    80   0.82600  1.0 1.0
   57    49    77    80  -0.32100 -1.0 2.0
   57    49    77    80   1.02000  1.0 3.0
   57    63    66    70   3.62500 -1.0 2.0
   57    63   -66    85   3.50000 -1.0 2.0
   57    63    67    68   0.00000  1.0 1.0
   57    63    67    69   0.00000  1.0 1.0
   57    63   -67    72   0.04150 -1.0 2.0
   63    57   -64    85   3.62500 -1.0 2.0
   63    57    64    65   1.40000 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    75   3.62500 -1.0 2.0
   63    66    85    83   3.00000 -1.0 2.0
   63    66   -85    64   3.00000 -1.0 2.0
   63    67    72    73   0.43200  1.0 3.0
   63    67    72    74   0.43200  1.0 3.0
   63    67    72    77   0.83750  1.0 1.0
   63    67    72    77   0.32200 -1.0 2.0
   63    67    72    77   0.70600  1.0 3.0
   66    63    67    68   0.00000  1.0 1.0
   66    63    67    69   0.00000  1.0 1.0
   66    63    67    72   0.04150 -1.0 2.0
   66    70    75    76   3.62500 -1.0 2.0
   66    70    75    78   3.62500 -1.0 2.0
   66    85   -64    57   3.62500 -1.0 2.0
   66    85    64    65   1.52500 -1.0 2.0
   70    66    85    83   3.00000 -1.0 2.0
   70    66    85    64   3.00000 -1.0 2.0
   70    75    78    79   3.62500 -1.0 2.0
   70    75   -78    83   3.62500 -1.0 2.0
   71    70    75    76   3.62500 -1.0 2.0
   71    70    75    78   3.62500 -1.0 2.0
   75    78    83    84   3.62500 -1.0 2.0
   75    78    83    85   3.62500 -1.0 2.0
   76    75    78    79   3.62500 -1.0 2.0
   76    75    78    83   3.62500 -1.0 2.0
   78    83   -85    66   3.62500 -1.0 2.0
   78    83    85    64   3.62500 -1.0 2.0
   79    78    83    84   3.62500 -1.0 2.0
   79    78    83    85   3.62500 -1.0 2.0
   83    85    64    57   3.62500 -1.0 2.0
   83    85    64    65   1.52500 -1.0 2.0
   84    83    85    66   3.62500 -1.0 2.0
   84    83    85    64   3.62500 -1.0 2.0
   85    66    70    71   3.50000 -1.0 2.0
   85    66   -70    75   3.50000 -1.0 2.0
   64    57   -63    66   3.62500 -1.0 2.0
   64    57    63    67   3.62500 -1.0 2.0
   67    63    66    70   3.62500 -1.0 2.0
   67    63    66    85   3.62500 -1.0 2.0
   67    72   -77    49   0.23450  1.0 1.0
   67    72   -77    49   0.02050 -1.0 2.0
   67    72   -77    49   0.25250  1.0 3.0
   67    72    77    80   0.23450  1.0 1.0
   67    72    77    80   0.02050 -1.0 2.0
   67    72    77    80   0.25250  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    77   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    77   0.15000  1.0 3.0
   72    77    80    81   0.28000  1.0 3.0
   72    77    80    82   0.28000  1.0 3.0
   72    77    80    46   0.23450  1.0 1.0
   72    77    80    46   0.02050 -1.0 2.0
   72    77    80    46   0.25250  1.0 3.0
   73    72    77    49   0.28000  1.0 3.0
   73    72    77    80   0.28000  1.0 3.0
   74    72    77    49   0.28000  1.0 3.0
   74    72    77    80   0.28000  1.0 3.0
   77    49   -57    63   0.18550 -1.0 2.0
   77    49   -57    63   0.14000  1.0 3.0
   77    49    57    64   0.04300 -1.0 2.0
   77    80   -46    39   1.53400  1.0 1.0
   77    80   -46    39  -0.09950 -1.0 2.0
   77    80   -46    39   0.05700  1.0 3.0
   77    80    46    47   0.15000  1.0 3.0
   77    80    46    51   1.53400  1.0 1.0
   77    80    46    51  -0.09950 -1.0 2.0
   77    80    46    51   0.05700  1.0 3.0
   80    46    51    52   0.15000  1.0 3.0
   80    46    51    58   0.62750  1.0 1.0
   80    46    51    58  -0.30950 -1.0 2.0
   80    46    51    58   0.27300  1.0 3.0
   80    46    51    59   0.56750  1.0 1.0
   80    46    51    59  -0.07550 -1.0 2.0
   80    46    51    59   0.20000  1.0 3.0
   81    80    46    39   0.15000  1.0 3.0
   81    80    46    47   0.15000  1.0 3.0
   81    80    46    51   0.15000  1.0 3.0
   82    80    46    39   0.15000  1.0 3.0
   82    80    46    47   0.15000  1.0 3.0
   82    80    46    51   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49   0.56750  1.0 1.0
   46    39   -43    49  -0.07550 -1.0 2.0
   46    39   -43    49   0.20000  1.0 3.0
   46    51   -58    33   0.06250  1.0 1.0
   46    51   -58    33  -0.01100 -1.0 2.0
   46    51   -58    33   0.28050  1.0 3.0
   46    51    59    60   0.15000  1.0 3.0
   46    51    59    61   0.15000  1.0 3.0
   46    51    59    62   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    58   0.23400  1.0 3.0
   47    46    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33   -38    39   0.09700  1.0 1.0
   58    33   -38    39   0.15600 -1.0 2.0
   58    33   -38    39  -0.50800  1.0 3.0
   58    33    38    41   0.39000  1.0 1.0
   58    33    38    41  -0.05800 -1.0 2.0
   58    33    38    41  -0.55150  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    53    54   0.08050  1.0 3.0
   41    48    53    55   0.08050  1.0 3.0
   41    48    53    56   0.08050  1.0 3.0
   42    41    48    53   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   63    64    57    49   4.00000 -1.0 2.0
   66    67    63    57   4.00000 -1.0 2.0
   70    85    66    63   4.00000 -1.0 2.0
   75    71    70    66   1.10000 -1.0 2.0
   78    76    75    70   1.10000 -1.0 2.0
   83    79    78    75   1.10000 -1.0 2.0
   85    84    83    78   1.10000 -1.0 2.0
   83    64    85    66   4.00000 -1.0 2.0
   65    57    64    85   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
