* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    161    245     466
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064    87.93214    43.65580
    3     1 S   H    _H1_     3     1.02104    33.09364   173.63844
    4     1 S   H    _H2_     4     1.02035    92.47662   -64.96906
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C9_    36     1.85438    97.14817   159.96945
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C8_    37     1.52097   106.09313   -59.95710
   38    37 S   HC   _H8_    38     1.09127   114.98765   -63.62275
   39    33 S   CT   _C10    77     1.53874   106.39056    63.10913
   40    39 S   HC   _H9_    78     1.09628   112.08780    62.79568
   41    39 S   HC   _H10    79     1.09703   111.49335  -176.47363
   42    39 S   HC   _H11    80     1.09588   111.45961   -57.18284
   43    33 S   CT   _C11    81     1.54339   107.19257  -178.29269
   44    43 S   HC   _H12    82     1.09896   110.58455   -64.70808
   45    43 S   HC   _H13    83     1.09979   110.93710    52.64368
   46    37 S   CM   _C7_    39     1.34304   127.10166   117.40864
   47    46 S   HC   _H7_    40     1.08256   119.45869    -0.54608
   48    43 S   CO3  _C12    84     1.53457   113.89912   173.90719
   49    48 S   O2Z  _O34    85     1.26363   115.04063    62.98376
   50    48 S   O2Z  _O33    86     1.26324   115.27135  -118.14428
   51    46 S   CM   _C6_    41     1.45032   122.61797   179.35563
   52    51 S   HC   _H6_    42     1.09103   114.08515    -0.16669
   53    51 S   CM   _C5_    43     1.35130   127.70088  -180.00000
   54    53 S   CM   _C13    44     1.46551   118.17462   179.88986
   55    54 S   HC   _H14    45     1.09024   115.97611    -0.09279
   56    53 S   CT   _C4_    73     1.50808   124.62274    -0.12972
   57    56 S   HC   _H3_    74     1.09157   113.88765    89.98097
   58    56 S   HC   _H4_    75     1.09562   110.49387   -29.80167
   59    56 S   HC   _H5_    76     1.09555   110.44778  -150.13879
   60    54 S   CM   _C14    46     1.34447   127.18649  -179.98022
   61    60 S   HC   _H15    47     1.08715   119.95668    -0.00000
   62    60 S   C3T  _C15    48     1.47595   125.20418   179.94405
   63    62 S   CT   _C20    49     1.49165   113.26652  -119.99442
   64    62 S   O3T  _O35    60     1.39359   109.41577    46.64803
   65    63 S   CT   _C19    50     1.57710   103.61086   -70.41452
   66    65 S   HC   _H20    51     1.09672   110.23461  -168.33419
   67    65 S   HC   _H21    52     1.09842   109.37166    75.87724
   68    63 S   CT   _C21    65     1.54068   109.22503    45.76441
   69    68 S   HC   _H22    66     1.08167   108.64462    67.43297
   70    68 S   HC   _H23    67     1.08008   108.64998   -52.61872
   71    68 S   HC   _H24    68     1.08140   108.64594  -172.65530
   72    63 S   CT   _C22    69     1.53560   115.61868   167.12618
   73    72 S   HC   _H25    70     1.08455   109.18997   -61.91757
   74    72 S   HC   _H26    71     1.08448   109.22976   178.04535
   75    72 S   HC   _H27    72     1.08526   109.17591    58.09698
   76    65 S   CT   _C18    53     1.56380   115.10478   -44.30584
   77    76 S   HC   _H18    54     1.09579   109.50301   160.87124
   78    76 S   HC   _H19    55     1.09829   107.80412   -83.86717
   79    76 S   CT   _C17    56     1.55890   114.54426    37.35725
   80    79 S   HC   _H16    57     1.09532   111.41519    75.34570
   81    79 S   HC   _H17    58     1.09695   108.73770  -168.87132
   82    62 S   C3T  _C16    59     1.55247   122.67250   109.08372
   83    82 S   CT   _C23    61     1.49403   130.87459  -175.08514
   84    83 S   HC   _H28    62     1.10115   111.42443    45.87896
   85    83 S   HC   _H29    63     1.10052   111.45475   -74.07672
   86    83 S   HC   _H30    64     1.10028   111.45821   165.91432
  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  12   5   4   3
  15   2   1   1  14   5   8   3   2   1   6   4   3   6   3   2
   1   1   9   3   9  11   4   4   2   1   1  10   4  22  18  12
  17   7   6   9   3   2   1   5   2   1   1   7   5   4   7   3
   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    53    54    56  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    60    56    57    58    59  
   53    54    56  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    82    64    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    65    79    82    64    83    68    72  
   62    63    82    64  
   63    65    66    67    76    79    80    81    82    64    83    84    85    86    68    69    70    71    72    73    74    75  
   65    66    67    76    77    78    79    82    64    83    68    69    70    71    72    73    74    75  
   83    84    85    86    68    72    65    76    79    80    81    82  
   66    67    76    77    78    79    80    81    82    68    69    70    71    72    73    74    75  
   67    76    77    78    79    68    72  
   76    77    78    79    68    72  
   69    70    71    72    73    74    75    76    82  
   70    71    72  
   71    72  
   72  
   73    74    75    76    82  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.180000   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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   305.000  1.480
   62    63   275.000  1.510
   62    82   260.000  1.509
   62    64   335.000  1.432
   63    65   268.000  1.529
   63    68   268.000  1.529
   63    72   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   275.000  1.510
   82    64   335.000  1.432
   82    83   275.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    70.00000  109.69300
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  123.01800
   46    37    38    35.00000  120.00000
   46    51    52    35.00000  120.00000
   46    51    53    70.00000  123.01800
   51    46    47    35.00000  120.00000
   51    53    54    70.00000  123.01800
   51    53    56    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    55.00000  125.06700
   60    54    55    35.00000  120.00000
   60    62    63    65.00000  117.55000
   60    62    82    60.00000  120.58800
   60    62    64    85.00000  114.23300
   62    60    61    40.00000  117.24000
   62    63    65    70.00000  112.37300
   62    63    68    70.00000  112.37300
   62    63    72    70.00000  112.37300
   62    82    79    60.00000  120.94000
   62    82    64    15.00000   60.43100
   62    82    83    60.00000  120.94000
   62    64    82    15.00000   59.14900
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    76    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   63    72    73    37.50000  110.70000
   63    72    74    37.50000  110.70000
   63    72    75    37.50000  110.70000
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    58.35000  112.70000
   67    65    66    33.00000  107.80000
   76    65    66    37.50000  110.70000
   76    65    67    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    70.00000  112.37300
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    64    80.00000  116.47100
   79    82    83    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    62    63    60.00000  120.94000
   82    79    80    45.00000  109.38400
   82    79    81    45.00000  109.38400
   82    83    84    45.00000  109.38400
   82    83    85    45.00000  109.38400
   82    83    86    45.00000  109.38400
   64    62    63    80.00000  116.47100
   64    62    82    15.00000   60.43100
   83    82    64    80.00000  116.47100
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   68    63    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    63    65    58.35000  112.70000
   72    63    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52  -0.18600  1.0 3.0
   37    46    51    53   0.28850  1.0 1.0
   37    46    51    53   2.61350 -1.0 2.0
   37    46    51    53   0.78400  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    56   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53  -0.18600  1.0 3.0
   51    53    54    55  -0.18600  1.0 3.0
   51    53    54    60   0.28850  1.0 1.0
   51    53    54    60   2.61350 -1.0 2.0
   51    53    54    60   0.78400  1.0 3.0
   51    53    56    57   0.00000  1.0 1.0
   51    53    56    58   0.00000  1.0 1.0
   51    53    56    59   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.09850  1.0 1.0
   54    60    62    63   0.15250 -1.0 2.0
   54    60    62    63  -0.50650  1.0 3.0
   54    60    62    82   0.09850  1.0 1.0
   54    60    62    82   0.15250 -1.0 2.0
   54    60    62    82  -0.50650  1.0 3.0
   54    60    62    64   0.39000  1.0 1.0
   54    60    62    64  -0.05800 -1.0 2.0
   54    60    62    64  -0.55150  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62    63    65   0.34400  1.0 1.0
   60    62    63    65   0.09450 -1.0 2.0
   60    62    63    65   0.11100  1.0 3.0
   60    62    63    68   0.34400  1.0 1.0
   60    62    63    68   0.09450 -1.0 2.0
   60    62    63    68   0.11100  1.0 3.0
   60    62    63    72   0.34400  1.0 1.0
   60    62    63    72   0.09450 -1.0 2.0
   60    62    63    72   0.11100  1.0 3.0
   60    62    82    79   0.34400  1.0 1.0
   60    62    82    79   0.09450 -1.0 2.0
   60    62    82    79   0.11100  1.0 3.0
   60    62   -82    64   0.61850  1.0 1.0
   60    62   -82    64  -0.22750 -1.0 2.0
   60    62   -82    64   0.15300  1.0 3.0
   60    62    82    83   0.34400  1.0 1.0
   60    62    82    83   0.09450 -1.0 2.0
   60    62    82    83   0.11100  1.0 3.0
   60    62   -64    82  -0.77900  1.0 1.0
   60    62   -64    82  -0.36900 -1.0 2.0
   60    62   -64    82   0.40400  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    82   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   62    63    65    66   0.15000  1.0 3.0
   62    63    65    67   0.15000  1.0 3.0
   62    63    65    76   0.47050  1.0 1.0
   62    63    65    76   0.03900 -1.0 2.0
   62    63    65    76   0.20100  1.0 3.0
   62    63    68    69   0.15000  1.0 3.0
   62    63    68    70   0.15000  1.0 3.0
   62    63    68    71   0.15000  1.0 3.0
   62    63    72    73   0.15000  1.0 3.0
   62    63    72    74   0.15000  1.0 3.0
   62    63    72    75   0.15000  1.0 3.0
   62    82    83    84   0.15000  1.0 3.0
   62    82    83    85   0.15000  1.0 3.0
   62    82    83    86   0.15000  1.0 3.0
   63    62    82    79   0.56750  1.0 1.0
   63    62    82    79  -0.07550 -1.0 2.0
   63    62    82    79   0.20000  1.0 3.0
   63    62   -82    64   0.02550  1.0 1.0
   63    62   -82    64  -0.02600 -1.0 2.0
   63    62   -82    64   1.20400  1.0 3.0
   63    62    82    83   0.56750  1.0 1.0
   63    62    82    83  -0.07550 -1.0 2.0
   63    62    82    83   0.20000  1.0 3.0
   63    62   -64    82   0.06250  1.0 1.0
   63    62   -64    82  -0.01100 -1.0 2.0
   63    62   -64    82   0.28050  1.0 3.0
   63    65    76    77   0.15000  1.0 3.0
   63    65    76    78   0.15000  1.0 3.0
   63    65   -76    79   0.56750  1.0 1.0
   63    65   -76    79  -0.07550 -1.0 2.0
   63    65   -76    79   0.20000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    71   0.15000  1.0 3.0
   65    63    72    73   0.15000  1.0 3.0
   65    63    72    74   0.15000  1.0 3.0
   65    63    72    75   0.15000  1.0 3.0
   65    76    79    80   0.15000  1.0 3.0
   65    76    79    81   0.15000  1.0 3.0
   65    76    79    82   0.47050  1.0 1.0
   65    76    79    82   0.03900 -1.0 2.0
   65    76    79    82   0.20100  1.0 3.0
   66    65    76    77   0.15000  1.0 3.0
   66    65    76    78   0.15000  1.0 3.0
   66    65    76    79   0.15000  1.0 3.0
   67    65    76    77   0.15000  1.0 3.0
   67    65    76    78   0.15000  1.0 3.0
   67    65    76    79   0.15000  1.0 3.0
   76    79   -82    62   0.07850  1.0 1.0
   76    79   -82    62  -0.03950 -1.0 2.0
   76    79   -82    62   0.67350  1.0 3.0
   76    79    82    64   0.02550  1.0 1.0
   76    79    82    64  -0.02600 -1.0 2.0
   76    79    82    64   1.20400  1.0 3.0
   76    79    82    83   0.56750  1.0 1.0
   76    79    82    83  -0.07550 -1.0 2.0
   76    79    82    83   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82   -64    62   0.06250  1.0 1.0
   79    82   -64    62  -0.01100 -1.0 2.0
   79    82   -64    62   0.28050  1.0 3.0
   79    82    83    84   0.15000  1.0 3.0
   79    82    83    85   0.15000  1.0 3.0
   79    82    83    86   0.15000  1.0 3.0
   80    79    82    62   0.15000  1.0 3.0
   80    79    82    64   0.23400  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   81    79    82    62   0.15000  1.0 3.0
   81    79    82    64   0.23400  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   82    62   -63    65   0.07850  1.0 1.0
   82    62   -63    65  -0.03950 -1.0 2.0
   82    62   -63    65   0.67350  1.0 3.0
   82    62    63    68   0.07850  1.0 1.0
   82    62    63    68  -0.03950 -1.0 2.0
   82    62    63    68   0.67350  1.0 3.0
   82    62    63    72   0.07850  1.0 1.0
   82    62    63    72  -0.03950 -1.0 2.0
   82    62    63    72   0.67350  1.0 3.0
   64    62    63    65   0.02550  1.0 1.0
   64    62    63    65  -0.02600 -1.0 2.0
   64    62    63    65   1.20400  1.0 3.0
   64    62    63    68   0.02550  1.0 1.0
   64    62    63    68  -0.02600 -1.0 2.0
   64    62    63    68   1.20400  1.0 3.0
   64    62    63    72   0.02550  1.0 1.0
   64    62    63    72  -0.02600 -1.0 2.0
   64    62    63    72   1.20400  1.0 3.0
   64    62   -82    79   0.02550  1.0 1.0
   64    62   -82    79  -0.02600 -1.0 2.0
   64    62   -82    79   1.20400  1.0 3.0
   64    62   -82    83   0.02550  1.0 1.0
   64    62   -82    83  -0.02600 -1.0 2.0
   64    62   -82    83   1.20400  1.0 3.0
   64    82    83    84   0.23400  1.0 3.0
   64    82    83    85   0.23400  1.0 3.0
   64    82    83    86   0.23400  1.0 3.0
   83    82   -64    62   0.06250  1.0 1.0
   83    82   -64    62  -0.01100 -1.0 2.0
   83    82   -64    62   0.28050  1.0 3.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   68    63    65    76   0.56750  1.0 1.0
   68    63    65    76  -0.07550 -1.0 2.0
   68    63    65    76   0.20000  1.0 3.0
   68    63    72    73   0.15000  1.0 3.0
   68    63    72    74   0.15000  1.0 3.0
   68    63    72    75   0.15000  1.0 3.0
   72    63    65    66   0.15000  1.0 3.0
   72    63    65    67   0.15000  1.0 3.0
   72    63    65    76   0.56750  1.0 1.0
   72    63    65    76  -0.07550 -1.0 2.0
   72    63    65    76   0.20000  1.0 3.0
   72    63    68    69   0.15000  1.0 3.0
   72    63    68    70   0.15000  1.0 3.0
   72    63    68    71   0.15000  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -1.63150  1.0 1.0
   39    33    43    48  -0.43550 -1.0 2.0
   39    33    43    48   0.24500  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   46    52    51    53  15.00000 -1.0 2.0
   54    56    53    51  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   62    61    60    54  15.00000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
