* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    162    246     479
    1     0 S   NP   _N1_     1    28.78504    93.34659   -23.08582
    2     1 S   H    _HN1     2     1.02950    90.91905     2.60602
    3     1 S   H    _H1_     3     1.02830    19.43023   149.79289
    4     1 S   H    _H2_     4     1.02783   104.16181  -106.55968
    5     1 S   CT   _CA1     5     1.50120   128.03712   119.71766
    6     5 S   HC   _HA1     6     1.09584   105.17302    69.60016
    7     5 S   CO3  _C1_     7     1.53710   112.28383   -50.47319
    8     7 S   O2Z  _O11     8     1.26358   115.03294   -47.20959
    9     7 S   O2Z  _O12     9     1.26218   114.88167   131.67748
   10     5 S   CT   _CB1    10     1.53056   107.38012  -172.66998
   11    10 S   HC   HB11    11     1.09832   109.14773   -51.25633
   12    10 S   HC   HB12    12     1.09811   110.56240    65.26114
   13    10 S   CT   _CG1    13     1.53002   112.68368  -172.31906
   14    13 S   HC   HG11    14     1.09601   110.54395   -67.60530
   15    13 S   HC   HG12    15     1.09671   109.86886    51.61933
   16    13 S   C    _CD1    16     1.51869   112.15392   171.84864
   17    16 S   O    _OE1    17     1.22737   123.27978     4.83898
   18    16 S   N    _N2_    18     1.38615   111.70551  -175.04077
   19    18 S   H    _HN2    19     1.01590   118.91937     0.64468
   20    18 S   CT1  _CA2    20     1.46287   123.40731   177.21990
   21    20 S   HC   _HA2    21     1.09738   109.41443    -4.30243
   22    20 S   C    _C2_    22     1.53452   108.31836  -119.67285
   23    22 S   O    _O2_    23     1.23035   122.37666  -147.37943
   24    20 S   CT   _CB2    32     1.53256   111.49252   117.88454
   25    24 S   HC   HB21    33     1.09599   109.86297    54.19007
   26    24 S   HC   HB22    34     1.09502   110.74706   173.44228
   27    22 S   N    _N3_    24     1.38365   113.51139    40.11155
   28    27 S   H    _HN3    25     1.01623   119.52046    -3.57987
   29    24 S   S    _SG2    35     1.82538   111.41394   -66.79220
   30    27 S   CT   _CA3    26     1.45285   123.17362   177.00154
   31    30 S   HC   HA31    27     1.09551   107.54258   -63.62639
   32    30 S   HC   HA32    28     1.09558   107.93696    52.79099
   33    29 S   CT   _C21    36     1.82568    98.86732   169.25358
   34    33 S   HC   _H3_    37     1.09436   108.64001    65.77900
   35    33 S   HC   _H4_    38     1.09583   107.67364   -49.72215
   36    30 S   CO3  _C3_    29     1.52949   114.10889   174.76868
   37    36 S   O2Z  _O31    30     1.26372   116.06200    -0.44279
   38    36 S   O2Z  _O32    31     1.26428   114.41282   179.61184
   39    33 S   CT   _C22    39     1.53899   113.53895  -170.91671
   40    39 S   HC   _H51    40     1.09998   108.19774   179.89913
   41    39 S   CO4  _C11    41     1.52765   109.09786    65.37192
   42    41 S   O    _O22    42     1.22342   125.23142  -107.68876
   43    39 S   CT   _C23    81     1.54233   115.88893   -60.02790
   44    43 S   HC   _H52    82     1.09614   111.63710    73.70491
   45    41 S   OS   _O27    43     1.36799   109.29076    70.75043
   46    43 S   CT   _C20    83     1.52889   113.90825   -51.51685
   47    46 S   HC   _H47    84     1.09257   112.04926    60.44756
   48    46 S   HC   _H48    85     1.09480   111.01729   -62.54506
   49    43 S   OH   _O26    88     1.43650   107.34123  -170.15266
   50    49 S   HO   _H55    89     0.97390   106.70597   177.59743
   51    45 S   CT   _C17    44     1.46002   117.63925  -173.78092
   52    51 S   HC   _H41    45     1.09660   109.27353   -32.38125
   53    46 S   OH   _O25    86     1.42609   108.61209   179.15443
   54    53 S   HO   _H54    87     0.97265   106.99961  -179.86012
   55    51 S   CT   _C13    46     1.55857   103.23618    85.91300
   56    55 S   HC   _H35    47     1.09911   107.67511    63.66302
   57    55 S   HC   _H36    48     1.09881   109.04023   -48.45020
   58    51 S   CT   _C16    63     1.56016   106.74241  -150.08416
   59    58 S   HC   _H40    64     1.10009   108.11967   -63.22714
   60    55 S   CM   _C6_    49     1.50892   117.86521  -170.00692
   61    58 S   CM   _C8_    65     1.51024   117.30952    56.18741
   62    60 S   CM   _C4_    50     1.35030   119.25768  -120.85490
   63    62 S   HC   _H29    51     1.08957   118.50790    -4.95559
   64    61 S   CO4  _C9_    66     1.48167   108.18309   155.99339
   65    64 S   O    _O21    67     1.21731   127.37056   164.18549
   66    61 S   CM   _C10    69     1.33682   133.18528   -20.54640
   67    66 S   HC   _H31    70     1.08121   122.79234    -1.66307
   68    66 S   HC   _H32    71     1.08631   121.41243   178.12393
   69    60 S   CT   _C18    77     1.50330   115.54962    56.57183
   70    69 S   HC   _H42    78     1.09361   110.96676   -68.29450
   71    69 S   HC   _H43    79     1.09192   113.17901   170.30590
   72    69 S   HC   _H44    80     1.09554   109.81844    51.32172
   73    62 S   CT   _C12    52     1.50993   126.50760   161.57294
   74    73 S   HC   _H33    53     1.09360   112.22975    27.40588
   75    73 S   HC   _H34    54     1.09605   109.05757   144.89143
   76    86 S   OS   _O23    68     1.43802   107.02394   106.86030
   77    73 S   CT   _C14    55     1.55009   109.89837   -95.01451
   78    77 S   HC   _H37    56     1.09832   109.34575   -69.17248
   79    77 S   HC   _H38    57     1.09585   109.81355   175.08522
   80    77 S   CM   _C7_    58     1.52421   110.77099    52.30690
   81    80 S   CM   _C5_    59     1.35155   118.12968   -85.58926
   82    81 S   HC   _H30    60     1.08985   117.95277   -11.26642
   83    80 S   CT   _C19    72     1.50409   116.02625    86.21491
   84    83 S   HC   _H45    73     1.09416   110.61774   -55.10058
   85    83 S   HC   _H46    74     1.09218   112.92218  -176.78387
   86    81 S   CT   _C15    61     1.49747   126.94179   158.17847
   87    86 S   HC   _H39    62     1.09663   111.40485   -10.63145
   88    83 S   OH   _O24    75     1.42320   108.99930    64.11662
   89    88 S   HO   _H53    76     0.97220   106.96132  -178.27603
  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  10   3   9   6  10   6   4   3
   2   1  16   8   1   1  14   5   4  14   7  10   9  12   5   8
   3   4   1   1   4   2   1   1   8   5   4   5  10   4   3   9
   7   3   5   3   2   1   1   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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44    46    49  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    51    43    44    46    47    48    53    49    50  
   41    42    45    43    44    46    49  
   42    45    51    52    55    58    43    44    46    49  
   45    51    43  
   44    46    47    48    53    54    49    50    45  
   46    47    48    53    49    50  
   51    52    55    56    57    60    86    58    59    61  
   47    48    53    54    49    50  
   48    53    54    49  
   53    54    49  
   50    53  
    0  
   52    55    56    57    60    62    81    86    87    58    59    61    64    76    66    69  
   55    56    57    60    86    58    59    61  
   54  
    0  
   56    57    60    62    63    73    86    58    59    61    69    70    71    72  
   57    60    62    58    69  
   60    62    58    69  
   59    61    64    65    76    66    67    68    60    80    81    82    86    87  
   61    64    76    66    81    86    87  
   62    63    73    74    75    77    69    70    71    72  
   64    65    76    66    67    68    81    86    87  
   63    73    74    75    77    78    79    80    69    70    71    72  
   73    74    75    77    69  
   65    76    66    67    68    81    86    87  
   76    66    86  
   67    68    76    86  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    77    78    79    80    81    83  
   75    77    78    79    80  
   77    78    79    80  
   80    81    82    86    87  
   78    79    80    81    82    86    83    84    85    88  
   79    80    81    83  
   80    81    83  
   81    82    86    87    83    84    85    88    89  
   82    86    87    83    84    85    88  
   86    87    83  
   84    85    88    89    86  
   85    88    89  
   88    89  
   87  
    0  
   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   0.047500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    43   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.510
   60    62   549.000  1.340
   60    69   317.000  1.510
   62    63   340.000  1.080
   62    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.510
   80    81   549.000  1.340
   80    83   317.000  1.510
   81    82   340.000  1.080
   81    86   317.000  1.510
   86    87   340.000  1.090
   86    58   268.000  1.529
   86    76   320.000  1.410
   58    59   340.000  1.090
   58    61   317.000  1.510
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    76   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   320.000  1.410
   88    89   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   320.000  1.410
   53    54   553.000  0.945
   49    50   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    43    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    45    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   39    43    49    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    45    51    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    51    52    35.00000  109.50000
   45    51    55    50.00000  109.50000
   45    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    60    70.00000  112.02700
   51    58    86    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    61    70.00000  112.02700
   55    51    52    37.50000  110.70000
   55    60    62    70.00000  124.00000
   55    60    69    65.00000  117.92700
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    62    63    35.00000  120.00000
   60    62    73    70.00000  124.00000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    35.00000  109.50000
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   62    73    77    70.00000  112.02700
   73    62    63    35.00000  117.00000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    70.00000  112.02700
   75    73    74    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    37.50000  110.70000
   77    80    81    70.00000  124.00000
   77    80    83    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    81    82    35.00000  120.00000
   80    81    86    70.00000  124.00000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    88    90.00000  110.39200
   81    86    87    35.00000  109.50000
   81    86    58    70.00000  112.02700
   81    86    76    85.00000  110.90400
   86    81    82    35.00000  117.00000
   86    58    59    37.50000  110.70000
   86    58    61    70.00000  112.02700
   86    76    64    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    86    87    37.50000  110.70000
   58    61    64    65.00000  116.34900
   58    61    66    70.00000  124.00000
   61    58    59    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    76    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   76    86    87    35.00000  109.50000
   76    86    58    50.00000  109.50000
   76    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   83    80    81    70.00000  124.00000
   83    88    89    55.00000  108.50000
   85    83    84    33.00000  107.80000
   88    83    84    35.00000  109.50000
   88    83    85    35.00000  109.50000
   69    60    62    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    55.00000  108.50000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    46    50.00000  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    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   33    39    43    49   0.86500  1.0 1.0
   33    39    43    49  -0.17500 -1.0 2.0
   33    39    43    49   0.20800  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    43   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    43   0.15000  1.0 3.0
   39    41    45    51   1.63150  1.0 1.0
   39    41    45    51   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    53   0.86500  1.0 1.0
   39    43    46    53  -0.17500 -1.0 2.0
   39    43    46    53   0.20800  1.0 3.0
   39    43    49    50  -0.11600  1.0 1.0
   39    43    49    50  -0.09450 -1.0 2.0
   39    43    49    50   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    43    49   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    39    43    49  -0.09450  1.0 1.0
   41    39    43    49  -1.12950 -1.0 2.0
   41    39    43    49   0.54000  1.0 3.0
   41    45    51    52   0.08050  1.0 3.0
   41    45    51    55  -0.25900  1.0 1.0
   41    45    51    55  -0.47000 -1.0 2.0
   41    45    51    55   0.11750  1.0 3.0
   41    45    51    58  -0.25900  1.0 1.0
   41    45    51    58  -0.47000 -1.0 2.0
   41    45    51    58   0.11750  1.0 3.0
   42    41    45    51   3.00000 -1.0 2.0
   45    51    55    56   0.23400  1.0 3.0
   45    51    55    57   0.23400  1.0 3.0
   45    51    55    60   0.61850  1.0 1.0
   45    51    55    60  -0.22750 -1.0 2.0
   45    51    55    60   0.15300  1.0 3.0
   45    51    58    86   0.62750  1.0 1.0
   45    51    58    86  -0.30950 -1.0 2.0
   45    51    58    86   0.27300  1.0 3.0
   45    51    58    59   0.23400  1.0 3.0
   45    51    58    61   0.61850  1.0 1.0
   45    51    58    61  -0.22750 -1.0 2.0
   45    51    58    61   0.15300  1.0 3.0
   51    55    60    62   0.09850  1.0 1.0
   51    55    60    62   0.15250 -1.0 2.0
   51    55    60    62  -0.50650  1.0 3.0
   51    55    60    69   0.46850  1.0 1.0
   51    55    60    69   0.08550 -1.0 2.0
   51    55    60    69   0.09800  1.0 3.0
   51    58    61    64   0.09700  1.0 1.0
   51    58    61    64   0.15600 -1.0 2.0
   51    58    61    64  -0.50800  1.0 3.0
   51    58    61    66   0.09850  1.0 1.0
   51    58    61    66   0.15250 -1.0 2.0
   51    58    61    66  -0.50650  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    58    86   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   55    51    58    86   0.56750  1.0 1.0
   55    51    58    86  -0.07550 -1.0 2.0
   55    51    58    86   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    61   0.34400  1.0 1.0
   55    51    58    61   0.09450 -1.0 2.0
   55    51    58    61   0.11100  1.0 3.0
   55    60    62    63   7.00000 -1.0 2.0
   55    60    62    73   7.00000 -1.0 2.0
   55    60    69    70   0.34800  1.0 3.0
   55    60    69    71   0.34800  1.0 3.0
   55    60    69    72   0.34800  1.0 3.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    69   0.34800  1.0 3.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    69   0.34800  1.0 3.0
   60    62    73    74   0.00000  1.0 1.0
   60    62    73    75   0.00000  1.0 1.0
   60    62    73    77   0.09850  1.0 1.0
   60    62    73    77   0.15250 -1.0 2.0
   60    62    73    77  -0.50650  1.0 3.0
   62    60    69    70   0.00000  1.0 1.0
   62    60    69    71   0.00000  1.0 1.0
   62    60    69    72   0.00000  1.0 1.0
   62    73    77    78   0.15000  1.0 3.0
   62    73    77    79   0.15000  1.0 3.0
   62    73    77    80   0.31000  1.0 1.0
   62    73    77    80   0.14700 -1.0 2.0
   62    73    77    80   0.07550  1.0 3.0
   63    62    73    74   0.33100  1.0 3.0
   63    62    73    75   0.33100  1.0 3.0
   63    62    73    77   0.00000  1.0 1.0
   73    77    80    81   0.09850  1.0 1.0
   73    77    80    81   0.15250 -1.0 2.0
   73    77    80    81  -0.50650  1.0 3.0
   73    77    80    83   0.46850  1.0 1.0
   73    77    80    83   0.08550 -1.0 2.0
   73    77    80    83   0.09800  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   77    80    81    82   7.00000 -1.0 2.0
   77    80    81    86   7.00000 -1.0 2.0
   77    80    83    84   0.34800  1.0 3.0
   77    80    83    85   0.34800  1.0 3.0
   77    80    83    88   0.18000  1.0 1.0
   77    80    83    88   0.16450 -1.0 2.0
   77    80    83    88   0.04450  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    83   0.34800  1.0 3.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    83   0.34800  1.0 3.0
   80    81    86    87   0.00000  1.0 1.0
   80    81    86    58   0.09850  1.0 1.0
   80    81    86    58   0.15250 -1.0 2.0
   80    81    86    58  -0.50650  1.0 3.0
   80    81    86    76   0.39000  1.0 1.0
   80    81    86    76  -0.05800 -1.0 2.0
   80    81    86    76  -0.55150  1.0 3.0
   80    83    88    89  -0.07800  1.0 1.0
   80    83    88    89  -0.21500 -1.0 2.0
   80    83    88    89  -0.03150  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   81    80    83    88   0.67800  1.0 1.0
   81    80    83    88   0.47050 -1.0 2.0
   81    80    83    88  -0.62500  1.0 3.0
   81    86    58    51   0.34400  1.0 1.0
   81    86    58    51   0.09450 -1.0 2.0
   81    86    58    51   0.11100  1.0 3.0
   81    86    58    59   0.15000  1.0 3.0
   81    86    58    61   0.31000  1.0 1.0
   81    86    58    61   0.14700 -1.0 2.0
   81    86    58    61   0.07550  1.0 3.0
   81    86    76    64  -0.82050  1.0 1.0
   81    86    76    64   0.00600 -1.0 2.0
   81    86    76    64   0.04400  1.0 3.0
   82    81    86    87   0.33100  1.0 3.0
   82    81    86    58   0.00000  1.0 1.0
   82    81    86    76   0.00000  1.0 1.0
   86    58   -61    64   0.09700  1.0 1.0
   86    58   -61    64   0.15600 -1.0 2.0
   86    58   -61    64  -0.50800  1.0 3.0
   86    58    61    66   0.09850  1.0 1.0
   86    58    61    66   0.15250 -1.0 2.0
   86    58    61    66  -0.50650  1.0 3.0
   87    86    58    51   0.15000  1.0 3.0
   87    86    58    59   0.15000  1.0 3.0
   87    86    58    61   0.15000  1.0 3.0
   87    86    76    64   0.08050  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    60   0.34400  1.0 1.0
   58    51    55    60   0.09450 -1.0 2.0
   58    51    55    60   0.11100  1.0 3.0
   58    86   -76    64  -0.25900  1.0 1.0
   58    86   -76    64  -0.47000 -1.0 2.0
   58    86   -76    64   0.11750  1.0 3.0
   58    61    64    65  -0.64400  1.0 1.0
   58    61    64    65   0.26850 -1.0 2.0
   58    61   -64    76  -0.15000  1.0 1.0
   58    61   -64    76   0.89550 -1.0 2.0
   58    61   -64    76  -0.06900  1.0 3.0
   58    61    66    67   7.00000 -1.0 2.0
   58    61    66    68   7.00000 -1.0 2.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    66   0.00000  1.0 1.0
   61    64   -76    86   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    76    86   3.00000 -1.0 2.0
   76    86    58    51   0.62750  1.0 1.0
   76    86    58    51  -0.30950 -1.0 2.0
   76    86    58    51   0.27300  1.0 3.0
   76    86    58    59   0.23400  1.0 3.0
   76    86   -58    61   0.61850  1.0 1.0
   76    86   -58    61  -0.22750 -1.0 2.0
   76    86   -58    61   0.15300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    76  -0.56150  1.0 1.0
   66    61    64    76   2.19150 -1.0 2.0
   83    80    81    82   7.00000 -1.0 2.0
   83    80    81    86   7.00000 -1.0 2.0
   84    83    88    89   0.19450  1.0 3.0
   85    83    88    89   0.19450  1.0 3.0
   69    60    62    63   7.00000 -1.0 2.0
   69    60    62    73   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    46    53    54  -0.11600  1.0 1.0
   43    46    53    54  -0.09450 -1.0 2.0
   43    46    53    54   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   46    43    49    50  -0.11600  1.0 1.0
   46    43    49    50  -0.09450 -1.0 2.0
   46    43    49    50   0.21250  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   48    46    53    54   0.19450  1.0 3.0
   49    43    46    47   0.23400  1.0 3.0
   49    43    46    48   0.23400  1.0 3.0
   49    43    46    53   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   55    69    60    62   1.10000 -1.0 2.0
   73    63    62    60   1.10000 -1.0 2.0
   77    83    80    81   1.10000 -1.0 2.0
   86    82    81    80   1.10000 -1.0 2.0
   58    64    61    66   1.10000 -1.0 2.0
   61    76    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
