* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    169    261     501
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056    97.94272    25.47553
    3     1 S   H    _H1_     3     1.02076    35.52543   136.66043
    4     1 S   H    _H2_     4     1.02092    81.07345   -82.35942
    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   _C15    36     1.85103    97.22659   161.83546
   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   CO4  _C24    37     1.53393   107.20218   -59.98677
   38    37 S   O    _O34    38     1.22932   123.15420   -29.57777
   39    33 S   CT   _C16    51     1.54531   109.07119    60.30345
   40    39 S   HC   _H26    52     1.10513   108.09580   -54.22928
   41    33 S   CT   _C14    57     1.53535   107.58418  -176.06418
   42    41 S   HC   _H24    58     1.09615   109.14905   -64.50744
   43    41 S   HC   _H25    59     1.09650   109.17366   178.57399
   44    37 S   CA   _C23    39     1.48341   117.98115   154.59263
   45    39 S   CT   _C25    53     1.53581   114.81239    65.40297
   46    45 S   HC   _H31    54     1.08632   109.47137    59.93188
   47    45 S   HC   _H32    55     1.08663   109.49849   -60.03180
   48    45 S   HC   _H33    56     1.08658   109.54023   179.91844
   49    41 S   CT   _C13    60     1.52983   111.48387    57.03147
   50    49 S   HC   _H22    61     1.09671   109.54283   -60.00780
   51    49 S   HC   _H23    62     1.09577   109.03171    57.12904
   52    44 S   CA   _C22    40     1.40138   119.18581   170.89014
   53    52 S   HA   _H30    41     1.08794   121.27954     2.61374
   54    49 S   CT   _C12    63     1.53048   111.19660   178.67677
   55    54 S   HC   _H20    64     1.09659   109.72345   -60.03811
   56    54 S   HC   _H21    65     1.09673   109.01227    56.56916
   57    52 S   CA   _C21    42     1.39587   120.24676  -178.02325
   58    57 S   HA   _H29    43     1.08525   119.94497  -179.70129
   59    54 S   CT   _C11    66     1.53165   113.41667   177.08100
   60    59 S   HC   _H18    67     1.09742   108.06869   -60.02613
   61    59 S   HC   _H19    68     1.09630   109.63506    55.88249
   62    57 S   CA   _C20    44     1.39244   120.01936     0.15702
   63    62 S   HA   _H28    45     1.08612   119.95360   179.46186
   64    59 S   CT   _C10    69     1.53147   113.42661   178.95789
   65    64 S   HC   _H16    70     1.09417   109.51761   -60.02870
   66    64 S   HC   _H17    71     1.09602   109.60379    57.63054
   67    62 S   CA   _C19    46     1.39469   120.04449    -0.38765
   68    67 S   HA   _H27    47     1.08668   118.64644   179.35532
   69    64 S   CT   _C9_    72     1.53121   111.12800   178.89731
   70    69 S   HC   _H14    73     1.09666   109.72466    59.96183
   71    69 S   HC   _H15    74     1.09722   109.08413   -56.59028
   72    44 S   CA   _C18    48     1.39594   121.22180    -7.52971
   73    69 S   CT   _C8_    75     1.53228   113.38218  -177.08819
   74    73 S   HC   _H12    76     1.09714   108.14590    55.90047
   75    73 S   HC   _H13    77     1.09674   108.99580   -59.92246
   76    72 S   CO4  _C17    49     1.47706   120.76968    -3.16601
   77    76 S   O    _O33    50     1.22738   119.71835   166.97114
   78    73 S   CT   _C7_    78     1.53088   113.29923   177.02237
   79    78 S   HC   _H10    79     1.09626   110.16683    57.06408
   80    78 S   HC   _H11    80     1.09673   109.12779   -60.01322
   81    78 S   CT   _C6_    81     1.53192   113.25992   179.49565
   82    81 S   HC   _H8_    82     1.09772   109.58244   -60.08387
   83    81 S   HC   _H9_    83     1.09738   108.18788    55.83484
   84    81 S   CT   _C5_    84     1.52911   113.38693   176.93803
   85    84 S   HC   _H6_    85     1.09595   110.28506    62.17274
   86    84 S   HC   _H7_    86     1.09616   109.87909   -56.02801
   87    84 S   CT   _C4_    87     1.52081   111.38506  -177.13235
   88    87 S   HC   _H3_    88     1.09431   110.99785    58.30349
   89    87 S   HC   _H4_    89     1.09475   110.21548   177.95982
   90    87 S   HC   _H5_    90     1.09463   111.04628   -62.28977
  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
  20   2   1   1  15   5  14   8  12   5   4  10   6   3   2   1
   9   5   4   8   4   9   5   4   6   3   9   5   4   5   3   9
   5   4   4   2   9   5   4   2   9   5   4   1   1   9   5   4
   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    76    39    40    45    41    42    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    52    72    76    77    39    40    45    46    47    48    41    42    43    49    50    51    54  
   35    36  
   36  
    0  
   38    44    52    53    57    67    72    76    39    40    45    41    42    43    49  
   44    52    72    39    41  
   40    45    46    47    48    41    42    43    49    44    67    72    76    77  
   45    46    47    48    41    72    76    77  
   42    43    49    50    51    54    55    56    59    44    45    76  
   43    49    50    51    54  
   49    50    51    54  
   52    53    57    58    62    67    68    72    76    77  
   46    47    48    72    76    77  
   47    48    76  
   48    76  
   76  
   50    51    54    55    56    59    60    61    64  
   51    54    55    56    59  
   54    55    56    59  
   53    57    58    62    63    67    72    76  
   57    58    62    72  
   55    56    59    60    61    64    65    66    69  
   56    59    60    61    64  
   59    60    61    64  
   58    62    63    67    68    72  
   62    63    67  
   60    61    64    65    66    69    70    71    73  
   61    64    65    66    69  
   64    65    66    69  
   63    67    68    72    76  
   67    68    72  
   65    66    69    70    71    73    74    75    78  
   66    69    70    71    73  
   69    70    71    73  
   68    72    76    77  
   72    76  
   70    71    73    74    75    78    79    80    81  
   71    73    74    75    78  
   73    74    75    78  
   76    77  
   74    75    78    79    80    81    82    83    84  
   75    78    79    80    81  
   78    79    80    81  
   77  
    0  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    52   469.000  1.400
   44    72   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    76   310.000  1.470
   76    77   570.000  1.229
   76    39   317.000  1.522
   39    40   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    76    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    49    58.35000  112.70000
   37    44    52    60.00000  119.52600
   37    44    72    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    52    53    35.00000  120.00000
   44    52    57    63.00000  120.00000
   44    72    67    63.00000  120.00000
   44    72    76    60.00000  119.52600
   52    57    58    35.00000  120.00000
   52    57    62    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    67    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    72    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    72    76    60.00000  119.52600
   72    44    52    63.00000  120.00000
   72    67    68    35.00000  120.00000
   72    76    77    75.00000  123.78400
   72    76    39    65.00000  115.47100
   76    39    40    35.00000  109.50000
   76    39    45    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    76    77    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    37.50000  110.70000
   45    39    40    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    54    58.35000  112.70000
   43    41    42    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    43    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    76   0.56750  1.0 1.0
   29    33    39    76  -0.07550 -1.0 2.0
   29    33    39    76   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   33    37    44    52   2.26350  1.0 1.0
   33    37    44    52   0.76750 -1.0 2.0
   33    37    44    52   0.22500  1.0 3.0
   33    37    44    72   2.26350  1.0 1.0
   33    37    44    72   0.76750 -1.0 2.0
   33    37    44    72   0.22500  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    47   0.15000  1.0 3.0
   33    39    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    54   0.56750  1.0 1.0
   33    41    49    54  -0.07550 -1.0 2.0
   33    41    49    54   0.20000  1.0 3.0
   37    33    39    76   0.11950  1.0 1.0
   37    33    39    76   0.20300 -1.0 2.0
   37    33    39    76  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45  -0.95700  1.0 1.0
   37    33    39    45  -0.18200 -1.0 2.0
   37    33    39    45   0.29450  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    49  -0.95700  1.0 1.0
   37    33    41    49  -0.18200 -1.0 2.0
   37    33    41    49   0.29450  1.0 3.0
   37    44    52    53   3.62500 -1.0 2.0
   37    44    52    57   3.62500 -1.0 2.0
   37    44    72    67   3.62500 -1.0 2.0
   37    44   -72    76   3.62500 -1.0 2.0
   38    37    44    52   1.05000 -1.0 2.0
   38    37    44    72   1.05000 -1.0 2.0
   44    52    57    58   3.62500 -1.0 2.0
   44    52    57    62   3.62500 -1.0 2.0
   44    72    76    77   1.05000 -1.0 2.0
   44    72    76    39   2.26350  1.0 1.0
   44    72    76    39   0.76750 -1.0 2.0
   44    72    76    39   0.22500  1.0 3.0
   52    44    72    67   3.62500 -1.0 2.0
   52    44    72    76   3.62500 -1.0 2.0
   52    57    62    63   3.62500 -1.0 2.0
   52    57   -62    67   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    62   3.62500 -1.0 2.0
   57    62    67    68   3.62500 -1.0 2.0
   57    62    67    72   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    67   3.62500 -1.0 2.0
   62    67   -72    44   3.62500 -1.0 2.0
   62    67    72    76   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    72   3.62500 -1.0 2.0
   67    72    76    77   1.05000 -1.0 2.0
   67    72    76    39   2.26350  1.0 1.0
   67    72    76    39   0.76750 -1.0 2.0
   67    72    76    39   0.22500  1.0 3.0
   68    67    72    44   3.62500 -1.0 2.0
   68    67    72    76   3.62500 -1.0 2.0
   72    44    52    53   3.62500 -1.0 2.0
   72    44   -52    57   3.62500 -1.0 2.0
   72    76   -39    33   0.05850 -1.0 2.0
   72    76   -39    33   0.17250  1.0 3.0
   72    76    39    40   0.00000  1.0 1.0
   72    76    39    45   0.05850 -1.0 2.0
   72    76    39    45   0.17250  1.0 3.0
   76    39    45    46  -0.11250  1.0 3.0
   76    39    45    47  -0.11250  1.0 3.0
   76    39    45    48  -0.11250  1.0 3.0
   77    76    39    33   0.30150 -1.0 2.0
   77    76    39    40   0.00000  1.0 1.0
   77    76    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.05850 -1.0 2.0
   39    33   -37    44   0.17250  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    49   0.56750  1.0 1.0
   39    33    41    49  -0.07550 -1.0 2.0
   39    33    41    49   0.20000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    48   0.15000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    44   0.05850 -1.0 2.0
   41    33    37    44   0.17250  1.0 3.0
   41    33    39    76  -0.95700  1.0 1.0
   41    33    39    76  -0.18200 -1.0 2.0
   41    33    39    76   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    45   0.56750  1.0 1.0
   41    33    39    45  -0.07550 -1.0 2.0
   41    33    39    45   0.20000  1.0 3.0
   41    49    54    55   0.15000  1.0 3.0
   41    49    54    56   0.15000  1.0 3.0
   41    49    54    59   0.56750  1.0 1.0
   41    49    54    59  -0.07550 -1.0 2.0
   41    49    54    59   0.20000  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    54   0.15000  1.0 3.0
   43    41    49    50   0.15000  1.0 3.0
   43    41    49    51   0.15000  1.0 3.0
   43    41    49    54   0.15000  1.0 3.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54    59    64   0.56750  1.0 1.0
   49    54    59    64  -0.07550 -1.0 2.0
   49    54    59    64   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    59   0.15000  1.0 3.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    69   0.56750  1.0 1.0
   54    59    64    69  -0.07550 -1.0 2.0
   54    59    64    69   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    64   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    64   0.15000  1.0 3.0
   59    64    69    70   0.15000  1.0 3.0
   59    64    69    71   0.15000  1.0 3.0
   59    64    69    73   0.56750  1.0 1.0
   59    64    69    73  -0.07550 -1.0 2.0
   59    64    69    73   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    69   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    69   0.15000  1.0 3.0
   64    69    73    74   0.15000  1.0 3.0
   64    69    73    75   0.15000  1.0 3.0
   64    69    73    78   0.56750  1.0 1.0
   64    69    73    78  -0.07550 -1.0 2.0
   64    69    73    78   0.20000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    73   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    73   0.15000  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81   0.56750  1.0 1.0
   69    73    78    81  -0.07550 -1.0 2.0
   69    73    78    81   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    78   0.15000  1.0 3.0
   73    78    81    82   0.15000  1.0 3.0
   73    78    81    83   0.15000  1.0 3.0
   73    78    81    84   0.56750  1.0 1.0
   73    78    81    84  -0.07550 -1.0 2.0
   73    78    81    84   0.20000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.15000  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   75    73    78    80   0.15000  1.0 3.0
   75    73    78    81   0.15000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.56750  1.0 1.0
   78    81    84    87  -0.07550 -1.0 2.0
   78    81    84    87   0.20000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.15000  1.0 3.0
   81    84    87    89   0.15000  1.0 3.0
   81    84    87    90   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   52    72    44    37   4.00000 -1.0 2.0
   57    53    52    44   1.10000 -1.0 2.0
   62    58    57    52   1.10000 -1.0 2.0
   67    63    62    57   1.10000 -1.0 2.0
   72    68    67    62   1.10000 -1.0 2.0
   67    76    72    44   4.00000 -1.0 2.0
   72    39    76    77  10.50000 -1.0 2.0
END
