* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    161    242     474
    1     0 S   NP   _N1_     1    28.50129    95.03665   -22.24436
    2     1 S   H    _HN1     2     1.02778    95.96114   -86.58570
    3     1 S   H    _H1_     3     1.02958    83.55864    21.25681
    4     1 S   H    _H2_     4     1.02836    31.96924   158.81299
    5     1 S   CT   _CA1     5     1.50118   141.13346   136.00464
    6     5 S   HC   _HA1     6     1.09575   105.22363    71.82531
    7     5 S   CO3  _C1_     7     1.53775   112.40700   -48.36916
    8     7 S   O2Z  _O11     8     1.26357   115.00254   -43.62187
    9     7 S   O2Z  _O12     9     1.26238   114.91810   135.55243
   10     5 S   CT   _CB1    10     1.53094   107.42891  -170.27858
   11    10 S   HC   HB11    11     1.09825   109.29590   -50.94048
   12    10 S   HC   HB12    12     1.09817   110.42878    65.59777
   13    10 S   CT   _CG1    13     1.53014   112.69142  -172.04673
   14    13 S   HC   HG11    14     1.09594   110.46209   -64.53407
   15    13 S   HC   HG12    15     1.09656   109.95492    54.68753
   16    13 S   C    _CD1    16     1.51824   112.32673   175.01807
   17    16 S   O    _OE1    17     1.22718   123.26460    -0.84835
   18    16 S   N    _N2_    18     1.38644   111.64279   179.38802
   19    18 S   H    _HN2    19     1.01582   119.01033     1.18581
   20    18 S   CT1  _CA2    20     1.46167   123.36499   179.17623
   21    20 S   HC   _HA2    21     1.09716   109.44972    -4.72530
   22    20 S   C    _C2_    22     1.53546   108.49202  -120.51121
   23    22 S   O    _O2_    23     1.23043   122.12688  -146.88267
   24    20 S   CT   _CB2    32     1.53321   111.61814   117.39536
   25    24 S   HC   HB21    33     1.09500   109.75704    56.60978
   26    24 S   HC   HB22    34     1.09424   110.01264   175.46395
   27    22 S   N    _N3_    24     1.38443   113.59958    40.36796
   28    27 S   H    _HN3    25     1.01505   118.96582    -0.50552
   29    24 S   S    _SG2    35     1.82595   112.32384   -63.94233
   30    27 S   CT   _CA3    26     1.45454   123.52422   175.47883
   31    30 S   HC   HA31    27     1.09521   109.39113    21.76942
   32    30 S   HC   HA32    28     1.09504   107.09262   138.77203
   33    29 S   CT   _C20    36     1.82906    99.25097   174.48104
   34    33 S   HC   _H22    37     1.09556   106.33114  -160.84120
   35    33 S   HC   _H23    38     1.09177   107.27588   -46.83355
   36    30 S   CO3  _C3_    29     1.52902   112.95235  -101.82602
   37    36 S   O2Z  _O31    30     1.26413   115.31847   -46.82237
   38    36 S   O2Z  _O32    31     1.26343   115.03430   134.06941
   39    33 S   CT   _C18    39     1.53513   112.74411    77.55395
   40    39 S   HC   _H6_    40     1.09499   112.75017   -44.18893
   41    39 S   CO4  _C19    41     1.51105   109.32833    77.85261
   42    41 S   O    _O35    42     1.22099   125.90720   -81.49760
   43    41 S   OS   _O36    43     1.36681   109.82023    96.83180
   44    43 S   CT   _C16    44     1.43740   109.96726     1.54066
   45    44 S   HC   _H4_    45     1.09404   108.04092   -94.10543
   46    44 S   CM   _C15    46     1.49570   107.60917   144.72034
   47    46 S   HC   _H21    47     1.09043   113.91809   -75.23492
   48    39 S   CT   _C17    63     1.54732   115.57059  -170.01934
   49    48 S   HC   _H5_    64     1.10208   105.41217   166.30657
   50    46 S   CM   _C14    48     1.35078   127.91671   113.75436
   51    50 S   CT   _C13    49     1.52497   117.93325   160.24613
   52    51 S   HC   _H19    50     1.09842   109.98215    35.19532
   53    51 S   HC   _H20    51     1.09596   110.80603   151.73887
   54    50 S   CT   _C21    83     1.50335   125.45642   -11.47820
   55    54 S   HC   _H24    84     1.09412   110.58064   117.14397
   56    54 S   HC   _H25    85     1.09193   112.98879    -4.44612
   57    51 S   CT   _C12    52     1.55006   111.20649   -85.87664
   58    57 S   HC   _H17    53     1.09339   109.65873   -73.42029
   59    57 S   HC   _H18    54     1.09618   109.44851   170.56264
   60    54 S   OH   _O37    86     1.42280   108.97588  -123.72982
   61    60 S   HO   _H26    87     0.97224   107.04472  -179.48871
   62    57 S   CM   _C11    55     1.51052   110.22738    50.70001
   63    62 S   HC   _H16    56     1.08981   113.73971    71.78023
   64    62 S   CM   _C10    57     1.35110   126.62972   -95.42679
   65    64 S   CT   _C9_    58     1.51507   118.98178   161.06462
   66    65 S   HC   _H14    59     1.09877   111.03937     5.22112
   67    65 S   HC   _H15    60     1.09845   107.45207   118.10931
   68    64 S   CT   _C22    78     1.50748   124.58101   -14.72090
   69    68 S   HC   _H27    79     1.09397   110.72763   110.03909
   70    68 S   HC   _H28    80     1.09143   112.97030   -11.32540
   71    65 S   CT   _C8_    61     1.55502   116.58303  -118.94597
   72    71 S   HC   _H3_    62     1.09532   110.74502   -49.23373
   73    68 S   OH   _O38    81     1.42274   109.32891  -130.31741
   74    73 S   HO   _H29    82     0.97219   107.12623  -177.39165
   75    71 S   OS   _O34    65     1.46008   104.91910  -166.87247
   76    75 S   CO4  _C7_    66     1.36576   118.08480    87.34388
   77    76 S   O    _O33    67     1.22319   125.75171     2.82147
   78    76 S   CT   _C5_    68     1.51767   109.33089  -176.17203
   79    78 S   HC   _H10    69     1.09638   108.00108   -38.49046
   80    78 S   CT   _C4_    70     1.52377   109.51736    80.77722
   81    80 S   HC   _H7_    71     1.09573   111.25590    60.44723
   82    80 S   HC   _H8_    72     1.09544   110.97168   -59.03499
   83    80 S   HC   _H9_    73     1.09485   110.91362  -179.01702
   84    78 S   CT   _C6_    74     1.52591   110.84527  -156.27287
   85    84 S   HC   _H11    75     1.09566   111.46361   -63.74136
   86    84 S   HC   _H12    76     1.09500   110.75893   175.92725
   87    84 S   HC   _H13    77     1.09522   110.92680    56.01675
  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
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  12   6   5   5   3   2   7   4   3   1   1  10   3  11
  10   5   4   5   3   2   5   2   1   1   6  11   4   9   8   7
   3   2   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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    71    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    71    72    48    49    75  
   41    42    43    44    71    48    49  
   42    43    44    45    46    71    48    49  
   43    44    48  
   44    45    46    47    50    71    48    49  
   45    46    47    50    51    65    71    72    48    49    75    54  
   46    47    50    71    48    49  
   47    50    51    52    53    57    71    48    49    54    55    56    60  
   50    51    48    54  
   49    75    76    50    64    65    66    67    71    72  
   75    65    71    72  
   51    52    53    57    58    59    62    54    55    56    60    61  
   52    53    57    58    59    62    63    64    54    55    56    60  
   53    57    58    59    62    54  
   57    58    59    62    54  
   55    56    60    61    57  
   56    60    61  
   60    61  
   58    59    62    63    64    65    68  
   59    62    63    64  
   62    63    64  
   61  
    0  
   63    64    65    66    67    71    68    69    70    73  
   64    65    68  
   65    66    67    71    72    75    68    69    70    73    74  
   66    67    71    72    75    76    68    69    70    73  
   67    71    72    75    68  
   71    72    75    68  
   69    70    73    74    71  
   70    73    74  
   73    74  
   72    75    76    77    78  
   75    76  
   74  
    0  
   76    77    78    79    80    84  
   77    78    79    80    81    82    83    84    85    86    87  
   78    79    80    84  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    48   268.000  1.529
   71    75   320.000  1.410
   48    49   340.000  1.090
   75    76   214.000  1.327
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   340.000  1.090
   78    80   268.000  1.529
   78    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    74   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    71    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    71    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    60    90.00000  110.39200
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    70.00000  112.02700
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    62    63    35.00000  117.00000
   57    62    64    70.00000  124.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    68    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    71    70.00000  112.02700
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    73    90.00000  110.39200
   65    71    72    37.50000  110.70000
   65    71    48    58.35000  112.70000
   65    71    75    50.00000  109.50000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    48    49    37.50000  110.70000
   71    75    76    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    71    72    37.50000  110.70000
   75    71    72    35.00000  109.50000
   75    71    48    50.00000  109.50000
   75    76    77    83.00000  123.40000
   75    76    78    81.00000  111.40000
   76    78    79    35.00000  109.50000
   76    78    80    63.00000  111.10000
   76    78    84    63.00000  111.10000
   78    76    77    80.00000  120.40000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    83    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   80    78    79    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   68    64    65    65.00000  117.92700
   68    73    74    55.00000  108.50000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   54    50    51    65.00000  117.92700
   54    60    61    55.00000  108.50000
   56    54    55    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    56    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    71   0.56750  1.0 1.0
   33    39    48    71  -0.07550 -1.0 2.0
   33    39    48    71   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    71   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    71  -0.95700  1.0 1.0
   41    39    48    71  -0.18200 -1.0 2.0
   41    39    48    71   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    71   0.62750  1.0 1.0
   43    44    48    71  -0.30950 -1.0 2.0
   43    44    48    71   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    71   0.34400  1.0 1.0
   46    44    48    71   0.09450 -1.0 2.0
   46    44    48    71   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    60   0.67800  1.0 1.0
   46    50    54    60   0.47050 -1.0 2.0
   46    50    54    60  -0.62500  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    62   0.31000  1.0 1.0
   50    51    57    62   0.14700 -1.0 2.0
   50    51    57    62   0.07550  1.0 3.0
   50    54    60    61  -0.07800  1.0 1.0
   50    54    60    61  -0.21500 -1.0 2.0
   50    54    60    61  -0.03150  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    50    54    60   0.18000  1.0 1.0
   51    50    54    60   0.16450 -1.0 2.0
   51    50    54    60   0.04450  1.0 3.0
   51    57    62    63   0.00000  1.0 1.0
   51    57    62    64   0.09850  1.0 1.0
   51    57    62    64   0.15250 -1.0 2.0
   51    57    62    64  -0.50650  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    62   0.15000  1.0 3.0
   57    62    64    65   7.00000 -1.0 2.0
   57    62    64    68   7.00000 -1.0 2.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.00000  1.0 1.0
   59    57    62    63   0.33100  1.0 3.0
   59    57    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    71   0.09850  1.0 1.0
   62    64    65    71   0.15250 -1.0 2.0
   62    64    65    71  -0.50650  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   62    64    68    70   0.00000  1.0 1.0
   62    64    68    73   0.67800  1.0 1.0
   62    64    68    73   0.47050 -1.0 2.0
   62    64    68    73  -0.62500  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    68   7.00000 -1.0 2.0
   64    65    71    72   0.15000  1.0 3.0
   64    65    71    48   0.34400  1.0 1.0
   64    65    71    48   0.09450 -1.0 2.0
   64    65    71    48   0.11100  1.0 3.0
   64    65    71    75   0.61850  1.0 1.0
   64    65    71    75  -0.22750 -1.0 2.0
   64    65    71    75   0.15300  1.0 3.0
   64    68    73    74  -0.07800  1.0 1.0
   64    68    73    74  -0.21500 -1.0 2.0
   64    68    73    74  -0.03150  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    64    68    70   0.34800  1.0 3.0
   65    64    68    73   0.18000  1.0 1.0
   65    64    68    73   0.16450 -1.0 2.0
   65    64    68    73   0.04450  1.0 3.0
   65    71    48    39   0.56750  1.0 1.0
   65    71    48    39  -0.07550 -1.0 2.0
   65    71    48    39   0.20000  1.0 3.0
   65    71    48    44   0.56750  1.0 1.0
   65    71    48    44  -0.07550 -1.0 2.0
   65    71    48    44   0.20000  1.0 3.0
   65    71    48    49   0.15000  1.0 3.0
   65    71    75    76  -0.25900  1.0 1.0
   65    71    75    76  -0.47000 -1.0 2.0
   65    71    75    76   0.11750  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    48   0.15000  1.0 3.0
   66    65    71    75   0.23400  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    48   0.15000  1.0 3.0
   67    65    71    75   0.23400  1.0 3.0
   71    75    76    77   3.00000 -1.0 2.0
   71    75    76    78   1.63150  1.0 1.0
   71    75    76    78   2.92000 -1.0 2.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    44   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71    75    76   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    71    75    76  -0.25900  1.0 1.0
   48    71    75    76  -0.47000 -1.0 2.0
   48    71    75    76   0.11750  1.0 3.0
   75    71    48    39   0.62750  1.0 1.0
   75    71    48    39  -0.30950 -1.0 2.0
   75    71    48    39   0.27300  1.0 3.0
   75    71    48    44   0.62750  1.0 1.0
   75    71    48    44  -0.30950 -1.0 2.0
   75    71    48    44   0.27300  1.0 3.0
   75    71    48    49   0.23400  1.0 3.0
   75    76    78    79   0.00000  1.0 1.0
   75    76    78    80   0.36750  1.0 3.0
   75    76    78    84   0.36750  1.0 3.0
   76    78    80    81  -0.11250  1.0 3.0
   76    78    80    82  -0.11250  1.0 3.0
   76    78    80    83  -0.11250  1.0 3.0
   76    78    84    85  -0.11250  1.0 3.0
   76    78    84    86  -0.11250  1.0 3.0
   76    78    84    87  -0.11250  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.30150 -1.0 2.0
   77    76    78    84   0.30150 -1.0 2.0
   79    78    80    81   0.15000  1.0 3.0
   79    78    80    82   0.15000  1.0 3.0
   79    78    80    83   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   84    78    80    81   0.15000  1.0 3.0
   84    78    80    82   0.15000  1.0 3.0
   84    78    80    83   0.15000  1.0 3.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    71   0.46850  1.0 1.0
   68    64    65    71   0.08550 -1.0 2.0
   68    64    65    71   0.09800  1.0 3.0
   69    68    73    74   0.19450  1.0 3.0
   70    68    73    74   0.19450  1.0 3.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    57   0.46850  1.0 1.0
   54    50    51    57   0.08550 -1.0 2.0
   54    50    51    57   0.09800  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    54    60    61   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   57    63    62    64   1.10000 -1.0 2.0
   65    68    64    62   1.10000 -1.0 2.0
   75    78    76    77  10.50000 -1.0 2.0
END
