* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    147    237     443
    1     0 S   NP   _N1_     1    28.75329    94.59972   -20.74884
    2     1 S   H    _HN1     2     1.02778    86.22502   -73.25874
    3     1 S   H    _H1_     3     1.02962    93.97193    34.86591
    4     1 S   H    _H2_     4     1.02837    31.09288   151.87847
    5     1 S   CT   _CA1     5     1.50108   141.32423   165.11554
    6     5 S   HC   _HA1     6     1.09570   105.27942    51.92897
    7     5 S   CO3  _C1_     7     1.53827   112.29991   -68.38272
    8     7 S   O2Z  _O11     8     1.26359   115.01773   -45.43736
    9     7 S   O2Z  _O12     9     1.26236   114.91202   133.76086
   10     5 S   CT   _CB1    10     1.53083   107.43183   169.88753
   11    10 S   HC   HB11    11     1.09819   109.47107   -50.32266
   12    10 S   HC   HB12    12     1.09834   110.34906    66.25265
   13    10 S   CT   _CG1    13     1.53013   112.64805  -171.45171
   14    13 S   HC   HG11    14     1.09596   110.30144   -60.13046
   15    13 S   HC   HG12    15     1.09620   110.19814    59.11258
   16    13 S   C    _CD1    16     1.51783   112.11197   179.44928
   17    16 S   O    _OE1    17     1.22732   123.18886   -10.69886
   18    16 S   N    _N2_    18     1.38612   111.69718   169.49816
   19    18 S   H    _HN2    19     1.01587   119.04636     2.22246
   20    18 S   CT1  _CA2    20     1.46284   123.34874  -175.82214
   21    20 S   HC   _HA2    21     1.09728   109.35582   -15.55076
   22    20 S   C    _C2_    22     1.53338   108.42437  -131.47165
   23    22 S   O    _O2_    23     1.23007   122.25995  -145.70447
   24    20 S   CT   _CB2    32     1.53512   111.12786   106.39934
   25    24 S   HC   HB21    33     1.09590   109.51882    56.00721
   26    24 S   HC   HB22    34     1.09498   110.77920   174.83032
   27    22 S   N    _N3_    24     1.38513   113.31686    41.65543
   28    27 S   H    _HN3    25     1.01534   118.90805    -0.56093
   29    24 S   S    _SG2    35     1.82797   111.53772   -65.29208
   30    27 S   CT   _CA3    26     1.45449   123.42079   175.09995
   31    30 S   HC   HA31    27     1.09526   109.20175    24.98033
   32    30 S   HC   HA32    28     1.09495   107.12836   141.98124
   33    29 S   CT   _C14    36     1.83163    99.68059   153.80571
   34    33 S   HC   _H3_    37     1.09573   108.90249   -46.70458
   35    30 S   CO3  _C3_    29     1.52931   113.15012   -98.47129
   36    35 S   O2Z  _O31    30     1.26400   115.42221   -44.00923
   37    35 S   O2Z  _O32    31     1.26358   114.97151   136.93357
   38    33 S   CT   _C6_    38     1.53237   107.63325    74.05781
   39    38 S   HC   _H21    39     1.09529   113.67640    33.75670
   40    38 S   HC   _H22    40     1.09355   111.49245   -91.95359
   41    38 S   CO4  _C4_    41     1.50336   103.27382   149.76604
   42    41 S   O    _O16    42     1.22642   122.61407   174.11580
   43    41 S   CT   _C15    43     1.53038   112.76457    -3.95240
   44    33 S   CT   _C10    44     1.55097   115.00939  -170.04444
   45    44 S   HC   _H27    45     1.10001   105.76681   -43.44303
   46    43 S   CT   _C13    64     1.54843   109.40173  -139.78144
   47    46 S   HC   _H30    65     1.09477   108.38108   -48.37873
   48    43 S   CT   _C18    72     1.53911   102.85892    98.33427
   49    48 S   HC   _H38    73     1.08617   113.74687  -169.11745
   50    48 S   HC   _H39    74     1.09474   110.88848    68.96637
   51    48 S   HC   _H40    75     1.09667   111.98376   -48.78910
   52    44 S   CT   _C11    46     1.55060   118.44299    76.40996
   53    52 S   HC   _H28    47     1.09434   110.04403    70.84668
   54    46 S   OH   _O19    66     1.44393   107.22620    63.14146
   55    54 S   HO   _H41    67     0.97282   107.68710  -163.01059
   56    52 S   CT   _C7_    48     1.54709   110.27899  -168.38502
   57    56 S   HC   _H23    49     1.09725   110.43710    49.74361
   58    56 S   HC   _H24    50     1.09939   107.11872   164.31261
   59    52 S   CT   _C17    68     1.53528   114.09049   -47.03772
   60    59 S   HC   _H35    69     1.09453   111.62445   -56.90663
   61    59 S   HC   _H36    70     1.09618   110.78238  -176.57617
   62    59 S   HC   _H37    71     1.09357   111.27916    65.92380
   63    56 S   CT   _C12    51     1.52433   117.71284   -77.28967
   64    63 S   HC   _H29    52     1.10073   105.59345  -163.81991
   65    63 S   CT   _C9_    53     1.52553   120.61552    74.75453
   66    65 S   HC   _H26    54     1.10042   106.57756    88.83428
   67    65 S   CT   _C8_    55     1.53715   100.20242  -160.49711
   68    67 S   HC   _H25    56     1.09956   108.11354   -80.53414
   69    67 S   CO4  _C5_    57     1.50510   103.12343    30.89945
   70    69 S   O    _O17    58     1.22073   126.26876   161.91874
   71    67 S   CT   _C16    60     1.51646   118.02431   156.98620
   72    71 S   HC   _H32    61     1.09228   112.54355   -67.08208
   73    71 S   HC   _H33    62     1.09599   110.20029   174.24428
   74    71 S   HC   _H34    63     1.09453   110.97606    55.17493
   75    63 S   OS   _O18    59     1.43378   111.24594   -50.19019
  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  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  19   6  18   7   6
   2   1   1  12   8   5   1  13   6   5   4   2   1   1   9   5
  10   5   8   7   6   2   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    56    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    65    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    56    63    65    66    67    46    47    54    55    59    48    49    50    51  
   45    52    53    56    57    58    63    65    46    47    54    59    60    61    62    48    49    50    51  
   52    53    56    46    59    48  
   47    54    55    48    49    50    51    52    56    63    64    65    66    67    68    69    71    75  
   54    55    48    63    65    66    67  
   49    50    51    52    54    65  
   50    51  
   51  
    0  
   53    56    57    58    63    64    65    75    59    60    61    62  
   56    57    58    63    59    60    61    62  
   55    63    65    66    67  
   65  
   57    58    63    64    65    66    67    69    75    59    60    61    62  
   58    63    64    65    75    59  
   63    64    65    75    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    75    71  
   65    66    67    69    75  
   66    67    68    69    70    75    71    72    73    74  
   67    68    69    75    71  
   68    69    70    75    71    72    73    74  
   69    70    75    71    72    73    74  
   70    75    71    72    73    74  
   75    71  
   72    73    74    75  
   73    74  
   74  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    75   320.000  1.410
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    46   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.522
   67    71   268.000  1.529
   69    70   570.000  1.229
   69    75   214.000  1.327
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    65    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    56    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   56    52    53    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    58.35000  112.70000
   56    63    75    50.00000  109.50000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    58.35000  112.70000
   63    65    46    58.35000  112.70000
   63    75    69    83.00000  116.90000
   65    63    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    63.00000  111.10000
   65    67    71    58.35000  112.70000
   65    46    47    37.50000  110.70000
   65    46    54    50.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    80.00000  120.40000
   67    69    75    81.00000  111.40000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   69    67    68    35.00000  109.50000
   75    63    64    35.00000  109.50000
   75    63    65    50.00000  109.50000
   75    69    70    83.00000  123.40000
   71    67    68    37.50000  110.70000
   71    67    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   46    43    44    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    65    67    58.35000  112.70000
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   59    52    53    37.50000  110.70000
   59    52    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    56   0.56750  1.0 1.0
   33    44    52    56  -0.07550 -1.0 2.0
   33    44    52    56   0.20000  1.0 3.0
   33    44    52    59   0.56750  1.0 1.0
   33    44    52    59  -0.07550 -1.0 2.0
   33    44    52    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    65  -0.95700  1.0 1.0
   41    43    46    65  -0.18200 -1.0 2.0
   41    43    46    65   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    56   0.56750  1.0 1.0
   43    44    52    56  -0.07550 -1.0 2.0
   43    44    52    56   0.20000  1.0 3.0
   43    44    52    59   0.56750  1.0 1.0
   43    44    52    59  -0.07550 -1.0 2.0
   43    44    52    59   0.20000  1.0 3.0
   43    46    54    55  -0.11600  1.0 1.0
   43    46    54    55  -0.09450 -1.0 2.0
   43    46    54    55   0.21250  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    65   0.56750  1.0 1.0
   44    43    46    65  -0.07550 -1.0 2.0
   44    43    46    65   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.86500  1.0 1.0
   44    43    46    54  -0.17500 -1.0 2.0
   44    43    46    54   0.20800  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    56    57   0.15000  1.0 3.0
   44    52    56    58   0.15000  1.0 3.0
   44    52    56    63   0.56750  1.0 1.0
   44    52    56    63  -0.07550 -1.0 2.0
   44    52    56    63   0.20000  1.0 3.0
   44    52    59    60   0.15000  1.0 3.0
   44    52    59    61   0.15000  1.0 3.0
   44    52    59    62   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    56   0.15000  1.0 3.0
   45    44    52    59   0.15000  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.56750  1.0 1.0
   52    56    63    65  -0.07550 -1.0 2.0
   52    56    63    65   0.20000  1.0 3.0
   52    56    63    75   0.62750  1.0 1.0
   52    56    63    75  -0.30950 -1.0 2.0
   52    56    63    75   0.27300  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    63   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   56    52    59    60   0.15000  1.0 3.0
   56    52    59    61   0.15000  1.0 3.0
   56    52    59    62   0.15000  1.0 3.0
   56    63    65    66   0.15000  1.0 3.0
   56    63    65    67   0.56750  1.0 1.0
   56    63    65    67  -0.07550 -1.0 2.0
   56    63    65    67   0.20000  1.0 3.0
   56    63    65    46   0.56750  1.0 1.0
   56    63    65    46  -0.07550 -1.0 2.0
   56    63    65    46   0.20000  1.0 3.0
   56    63    75    69  -0.25900  1.0 1.0
   56    63    75    69  -0.47000 -1.0 2.0
   56    63    75    69   0.11750  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    75   0.23400  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    75   0.23400  1.0 3.0
   63    65    67    68   0.15000  1.0 3.0
   63    65   -67    69  -0.95700  1.0 1.0
   63    65   -67    69  -0.18200 -1.0 2.0
   63    65   -67    69   0.29450  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    46    43   0.56750  1.0 1.0
   63    65    46    43  -0.07550 -1.0 2.0
   63    65    46    43   0.20000  1.0 3.0
   63    65    46    47   0.15000  1.0 3.0
   63    65    46    54   0.86500  1.0 1.0
   63    65    46    54  -0.17500 -1.0 2.0
   63    65    46    54   0.20800  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    46   0.15000  1.0 3.0
   64    63    75    69   0.08050  1.0 3.0
   65    63   -75    69  -0.25900  1.0 1.0
   65    63   -75    69  -0.47000 -1.0 2.0
   65    63   -75    69   0.11750  1.0 3.0
   65    67    69    70   0.30150 -1.0 2.0
   65    67   -69    75   0.36750  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67    71    73   0.15000  1.0 3.0
   65    67    71    74   0.15000  1.0 3.0
   65    46    54    55  -0.11600  1.0 1.0
   65    46    54    55  -0.09450 -1.0 2.0
   65    46    54    55   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69  -0.11250  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    46    43   0.15000  1.0 3.0
   66    65    46    47   0.15000  1.0 3.0
   66    65    46    54   0.23400  1.0 3.0
   67    65    46    43   0.56750  1.0 1.0
   67    65    46    43  -0.07550 -1.0 2.0
   67    65    46    43   0.20000  1.0 3.0
   67    65    46    47   0.15000  1.0 3.0
   67    65    46    54   0.86500  1.0 1.0
   67    65    46    54  -0.17500 -1.0 2.0
   67    65    46    54   0.20800  1.0 3.0
   67    69   -75    63   1.63150  1.0 1.0
   67    69   -75    63   2.92000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    75   0.00000  1.0 1.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    67    71    72  -0.11250  1.0 3.0
   69    67    71    73  -0.11250  1.0 3.0
   69    67    71    74  -0.11250  1.0 3.0
   70    69    75    63   3.00000 -1.0 2.0
   75    63    65    66   0.23400  1.0 3.0
   75    63   -65    67   0.62750  1.0 1.0
   75    63   -65    67  -0.30950 -1.0 2.0
   75    63   -65    67   0.27300  1.0 3.0
   75    63    65    46   0.62750  1.0 1.0
   75    63    65    46  -0.30950 -1.0 2.0
   75    63    65    46   0.27300  1.0 3.0
   71    67    69    70   0.30150 -1.0 2.0
   71    67    69    75   0.36750  1.0 3.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    65    67    68   0.15000  1.0 3.0
   46    65    67    69  -0.95700  1.0 1.0
   46    65    67    69  -0.18200 -1.0 2.0
   46    65    67    69   0.29450  1.0 3.0
   46    65    67    71   0.56750  1.0 1.0
   46    65    67    71  -0.07550 -1.0 2.0
   46    65    67    71   0.20000  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   59    52    56    57   0.15000  1.0 3.0
   59    52    56    58   0.15000  1.0 3.0
   59    52    56    63   0.56750  1.0 1.0
   59    52    56    63  -0.07550 -1.0 2.0
   59    52    56    63   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    65   0.56750  1.0 1.0
   48    43    46    65  -0.07550 -1.0 2.0
   48    43    46    65   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   67    75    69    70  10.50000 -1.0 2.0
END
