* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    215     419
    1     0 S   NP   _N1_     1    28.83322    97.77848   -22.88598
    2     1 S   H    _HN1     2     1.02787   101.97752   -92.36284
    3     1 S   H    _H1_     3     1.02949    64.75455    12.47629
    4     1 S   H    _H2_     4     1.02828    47.11595   164.24662
    5     1 S   CT   _CA1     5     1.50119   144.65470   102.55200
    6     5 S   HC   _HA1     6     1.09571   105.19145   102.88326
    7     5 S   CO3  _C1_     7     1.53791   112.46261   -17.36723
    8     7 S   O2Z  _O11     8     1.26377   115.00600   -42.29604
    9     7 S   O2Z  _O12     9     1.26237   114.95125   136.81746
   10     5 S   CT   _CB1    10     1.53073   107.41657  -139.10781
   11    10 S   HC   HB11    11     1.09835   109.39760   -49.34771
   12    10 S   HC   HB12    12     1.09812   110.43614    67.26613
   13    10 S   CT   _CG1    13     1.52995   112.61076  -170.30170
   14    13 S   HC   HG11    14     1.09579   110.66157   -65.59079
   15    13 S   HC   HG12    15     1.09668   109.77080    53.65370
   16    13 S   C    _CD1    16     1.51797   112.16810   174.14301
   17    16 S   O    _OE1    17     1.22738   123.26558     8.13412
   18    16 S   N    _N2_    18     1.38645   111.71356  -172.01362
   19    18 S   H    _HN2    19     1.01582   118.95885     1.69235
   20    18 S   CT1  _CA2    20     1.46211   123.39507   177.80983
   21    20 S   HC   _HA2    21     1.09734   109.33912     4.64321
   22    20 S   C    _C2_    22     1.53564   108.75219  -110.94261
   23    22 S   O    _O2_    23     1.23070   122.23966  -148.14984
   24    20 S   CT   _CB2    32     1.53311   111.52855   126.61184
   25    24 S   HC   HB21    33     1.09460   109.95555    57.37877
   26    24 S   HC   HB22    34     1.09529   110.19935   176.29800
   27    22 S   N    _N3_    24     1.38312   113.78045    39.28440
   28    27 S   H    _HN3    25     1.01572   119.61264    -3.21790
   29    24 S   S    _SG2    35     1.82647   111.49643   -64.08907
   30    27 S   CT   _CA3    26     1.45284   123.22336   177.17756
   31    30 S   HC   HA31    27     1.09548   107.50433   -64.90298
   32    30 S   HC   HA32    28     1.09557   107.99628    51.54092
   33    29 S   CT   _C8_    36     1.85347    99.64390   176.81709
   34    33 S   HC   _H3_    37     1.09574   107.00632    22.06812
   35    30 S   CO3  _C3_    29     1.52962   114.07584   173.55621
   36    35 S   O2Z  _O31    30     1.26376   116.07729    -0.26095
   37    35 S   O2Z  _O32    31     1.26427   114.40973   179.79923
   38    33 S   CT   _C4_    38     1.54221   111.56509   -97.16704
   39    38 S   HC   _H24    39     1.09795   109.15893   169.48116
   40    38 S   CT   _C6_    40     1.53201   111.39993   -70.62850
   41    40 S   HC   _H26    41     1.09605   109.42735    69.10269
   42    38 S   OH   _O15    75     1.42611   111.66416    52.84823
   43    42 S   HO   _H38    76     0.97218   107.35784    63.14022
   44    40 S   CO   _C11    42     1.53722   110.74335   -52.44930
   45    44 S   HC   _H31    43     1.09427   107.83903   171.66134
   46    40 S   OH   _O17    73     1.42804   109.41613  -174.12717
   47    46 S   HO   _H40    74     0.97220   107.66132   179.34538
   48    44 S   OS   _O13    44     1.43288   110.37520    54.50324
   49    44 S   OS   _O20    52     1.43165   109.04336   -69.26139
   50    33 S   CT   _C10    45     1.54608   111.04704   141.34399
   51    50 S   HC   _H30    46     1.09847   107.41994  -173.84508
   52    49 S   CO   _C12    53     1.43489   116.09817  -155.92013
   53    50 S   CT   _C13    47     1.53085   115.10824   -55.65929
   54    53 S   HC   _H32    48     1.09494   109.67033  -174.16330
   55    53 S   HC   _H33    49     1.09469   112.14716    67.78330
   56    52 S   CT   _C7_    54     1.54100   108.07542  -157.04922
   57    56 S   HC   _H27    55     1.09315   113.24717   -82.36170
   58    52 S   CT   _C15    69     1.54402   109.77008    78.42220
   59    58 S   Cl   CL23    70     1.78104   113.12105    59.15675
   60    58 S   HC   _H36    71     1.09381   111.01191   -60.37679
   61    58 S   HC   _H37    72     1.09325   112.22608  -178.42679
   62    53 S   OH   _O19    50     1.41912   110.43849   -54.65868
   63    62 S   HO   _H42    51     0.97254   107.02848  -179.69099
   64    56 S   CT   _C5_    56     1.51423   103.41791   153.43948
   65    64 S   HC   _H25    57     1.09485   113.39585  -153.81104
   66    56 S   OH   _O18    67     1.43090   110.13054    38.25163
   67    66 S   HO   _H41    68     0.97265   107.38465  -176.91733
   68    64 S   CT   _C9_    58     1.53037   103.36904   -31.37574
   69    68 S   HC   _H29    59     1.09634   110.90894   137.53295
   70    64 S   OH   _O16    65     1.42365   109.27644    86.09766
   71    70 S   HO   _H39    66     0.97288   107.62693  -178.71854
   72    52 S   OS   _O14    60     1.44249   113.60877   -41.39855
   73    68 S   CT   _C14    61     1.52718   112.31327   -98.44660
   74    73 S   Cl   CL22    62     1.78525   110.60008  -172.30869
   75    73 S   HC   _H34    63     1.09330   111.92362    68.95375
   76    73 S   HC   _H35    64     1.09362   111.28034   -53.61726
  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
  16   8   2   1   1  14   7  11   7   4   1  12   5   3   1   8
  12   6   4  15   4   3   2  15   8   7   3   2   1   1   1  12
   7   4   1   8   6   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    51    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    50    51    53    54    55    62    46    42    43  
   38    39    40    48    50    51    53    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    50    51    53    49    46    47    42    43  
   40    41    44    50    46    42    43  
   41    44    45    48    50    49    52    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    50  
    0  
   45    48    50    51    53    49    52    56    72    58    46    47  
   48    50    49    52    46  
   47    48    49  
    0  
   50    51    53    54    55    62    49    52  
   52    56    57    64    68    72    66    58    59    60    61    50  
   51    53    54    55    62    63  
   53    54    55    62  
   56    57    64    65    68    69    72    73    70    66    67    58    59    60    61  
   54    55    62    63  
   55    62    63  
   62    63  
   57    64    65    68    69    72    73    70    71    66    67    58    59    60    61  
   64    65    68    72    70    66    67    58  
   59    60    61    64    66    68    72  
   60    61    72  
   61    72  
   72  
   63  
    0  
   65    68    69    72    73    74    75    76    70    71    66    67  
   68    69    72    73    70    71    66  
   67    68    70    72  
    0  
   69    72    73    74    75    76    70    71  
   72    73    74    75    76    70  
   71    72    73  
    0  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   60   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   75   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.103000   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    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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   250.000  1.527
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   320.000  1.380
   44    49   320.000  1.380
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   320.000  1.410
   62    63   553.000  0.945
   49    52   320.000  1.380
   52    56   250.000  1.527
   52    72   320.000  1.380
   52    58   250.000  1.527
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    66   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   320.000  1.410
   68    69   340.000  1.090
   68    72   320.000  1.410
   68    73   268.000  1.529
   73    74   245.000  1.781
   73    75   340.000  1.090
   73    76   340.000  1.090
   70    71   553.000  0.945
   66    67   553.000  0.945
   58    59   245.000  1.781
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    48    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    53    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    75.00000  109.43000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    45.00000  112.01100
   40    44    48    90.00000  108.56700
   40    44    49    90.00000  108.56700
   40    46    47    55.00000  108.50000
   44    40    41    45.00000  108.72000
   44    48    50    60.00000  109.50000
   44    49    52   100.00000  109.58800
   48    44    45    35.00000  109.50000
   48    50    51    35.00000  109.50000
   48    50    53    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    62    50.00000  109.50000
   53    50    51    37.50000  110.70000
   53    62    63    55.00000  108.50000
   55    53    54    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    55    35.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    48    92.60000  111.55000
   49    52    56    90.00000  108.56700
   49    52    72    92.60000  111.55000
   49    52    58    90.00000  108.56700
   52    56    57    45.00000  108.72000
   52    56    64    75.00000  109.43000
   52    56    66    90.00000  111.58700
   52    72    68    60.00000  109.50000
   52    58    59    75.00000  108.76400
   52    58    60    45.00000  108.72000
   52    58    61    45.00000  108.72000
   56    64    65    37.50000  110.70000
   56    64    68    58.35000  112.70000
   56    64    70    50.00000  109.50000
   56    66    67    55.00000  108.50000
   64    56    57    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    50.00000  109.50000
   64    68    73    58.35000  112.70000
   64    70    71    55.00000  108.50000
   68    64    65    37.50000  110.70000
   68    73    74    69.00000  109.80000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   72    52    56    90.00000  108.56700
   72    68    69    35.00000  109.50000
   73    68    69    37.50000  110.70000
   73    68    72    50.00000  109.50000
   75    73    74    51.00000  107.60000
   76    73    74    51.00000  107.60000
   76    73    75    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    68    50.00000  109.50000
   66    56    57    35.00000  109.50000
   66    56    64    50.00000  109.50000
   58    52    56    65.00000  112.71400
   58    52    72    90.00000  108.56700
   60    58    59    51.00000  107.60000
   61    58    59    51.00000  107.60000
   61    58    60    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    90.00000  111.58700
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    48   0.56750  1.0 1.0
   29    33    50    48  -0.07550 -1.0 2.0
   29    33    50    48   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   3.97050  1.0 1.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    62   0.86500  1.0 1.0
   33    50    53    62  -0.17500 -1.0 2.0
   33    50    53    62   0.20800  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    42   0.23400  1.0 3.0
   34    33    50    48   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    53   0.15000  1.0 3.0
   38    33    50    48   0.62750  1.0 1.0
   38    33    50    48  -0.30950 -1.0 2.0
   38    33    50    48   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    53   0.56750  1.0 1.0
   38    33    50    53  -0.07550 -1.0 2.0
   38    33    50    53   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    50   0.06250  1.0 1.0
   40    44    48    50  -0.01100 -1.0 2.0
   40    44    48    50   0.28050  1.0 3.0
   40    44    49    52   0.06250  1.0 1.0
   40    44    49    52  -0.01100 -1.0 2.0
   40    44    49    52   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -50    33   0.06250  1.0 1.0
   44    48   -50    33  -0.01100 -1.0 2.0
   44    48   -50    33   0.28050  1.0 3.0
   44    48    50    51   0.37050  1.0 3.0
   44    48    50    53   0.06250  1.0 1.0
   44    48    50    53  -0.01100 -1.0 2.0
   44    48    50    53   0.28050  1.0 3.0
   44    49    52    56   0.06250  1.0 1.0
   44    49    52    56  -0.01100 -1.0 2.0
   44    49    52    56   0.28050  1.0 3.0
   44    49    52    72  -0.53350  1.0 1.0
   44    49    52    72  -0.78350 -1.0 2.0
   44    49    52    72   0.33750  1.0 3.0
   44    49    52    58   0.06250  1.0 1.0
   44    49    52    58  -0.01100 -1.0 2.0
   44    49    52    58   0.28050  1.0 3.0
   45    44    48    50   0.37050  1.0 3.0
   45    44    49    52   0.37050  1.0 3.0
   48    44    49    52  -0.53350  1.0 1.0
   48    44    49    52  -0.78350 -1.0 2.0
   48    44    49    52   0.33750  1.0 3.0
   48    50    53    54   0.23400  1.0 3.0
   48    50    53    55   0.23400  1.0 3.0
   48    50    53    62   3.69350  1.0 1.0
   48    50    53    62  -1.82950 -1.0 2.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    42   0.86500  1.0 1.0
   50    33    38    42  -0.17500 -1.0 2.0
   50    33    38    42   0.20800  1.0 3.0
   50    53    62    63  -0.11600  1.0 1.0
   50    53    62    63  -0.09450 -1.0 2.0
   50    53    62    63   0.21250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    62   0.23400  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   55    53    62    63   0.19450  1.0 3.0
   49    44    48    50  -0.81800  1.0 1.0
   49    52    56    57   0.23400  1.0 3.0
   49    52    56    64   0.62750  1.0 1.0
   49    52    56    64  -0.30950 -1.0 2.0
   49    52    56    64   0.27300  1.0 3.0
   49    52    56    66   3.69350  1.0 1.0
   49    52    56    66  -1.82950 -1.0 2.0
   49    52    72    68  -0.53350  1.0 1.0
   49    52    72    68  -0.78350 -1.0 2.0
   49    52    72    68   0.33750  1.0 3.0
   49    52    58    59   0.56750  1.0 1.0
   49    52    58    59  -0.07550 -1.0 2.0
   49    52    58    59   0.20000  1.0 3.0
   49    52    58    60   0.23400  1.0 3.0
   49    52    58    61   0.23400  1.0 3.0
   52    56    64    65   0.15000  1.0 3.0
   52    56   -64    68   3.97050  1.0 1.0
   52    56    64    70   0.86500  1.0 1.0
   52    56    64    70  -0.17500 -1.0 2.0
   52    56    64    70   0.20800  1.0 3.0
   52    56    66    67  -0.11600  1.0 1.0
   52    56    66    67  -0.09450 -1.0 2.0
   52    56    66    67   0.21250  1.0 3.0
   56    52   -72    68   0.06250  1.0 1.0
   56    52   -72    68  -0.01100 -1.0 2.0
   56    52   -72    68   0.28050  1.0 3.0
   56    52    58    59   0.35600  1.0 1.0
   56    52    58    59  -0.14650 -1.0 2.0
   56    52    58    59   0.33350  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   56    64    68    69   0.15000  1.0 3.0
   56    64   -68    72   0.62750  1.0 1.0
   56    64   -68    72  -0.30950 -1.0 2.0
   56    64   -68    72   0.27300  1.0 3.0
   56    64    68    73   0.56750  1.0 1.0
   56    64    68    73  -0.07550 -1.0 2.0
   56    64    68    73   0.20000  1.0 3.0
   56    64    70    71  -0.11600  1.0 1.0
   56    64    70    71  -0.09450 -1.0 2.0
   56    64    70    71   0.21250  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   57    56    64    70   0.23400  1.0 3.0
   57    56    66    67   0.19450  1.0 3.0
   64    56    66    67  -0.11600  1.0 1.0
   64    56    66    67  -0.09450 -1.0 2.0
   64    56    66    67   0.21250  1.0 3.0
   64    68   -72    52   0.06250  1.0 1.0
   64    68   -72    52  -0.01100 -1.0 2.0
   64    68   -72    52   0.28050  1.0 3.0
   64    68    73    74   0.35600  1.0 1.0
   64    68    73    74  -0.14650 -1.0 2.0
   64    68    73    74   0.33350  1.0 3.0
   64    68    73    75   0.15000  1.0 3.0
   64    68    73    76   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    68    73   0.15000  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71  -0.11600  1.0 1.0
   68    64    70    71  -0.09450 -1.0 2.0
   68    64    70    71   0.21250  1.0 3.0
   69    68    72    52   0.37050  1.0 3.0
   69    68    73    74   0.27000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   72    52    56    57   0.23400  1.0 3.0
   72    52   -56    64   0.62750  1.0 1.0
   72    52   -56    64  -0.30950 -1.0 2.0
   72    52   -56    64   0.27300  1.0 3.0
   72    52    56    66   3.69350  1.0 1.0
   72    52    56    66  -1.82950 -1.0 2.0
   72    52    58    59   0.56750  1.0 1.0
   72    52    58    59  -0.07550 -1.0 2.0
   72    52    58    59   0.20000  1.0 3.0
   72    52    58    60   0.23400  1.0 3.0
   72    52    58    61   0.23400  1.0 3.0
   72    68    73    74   0.56750  1.0 1.0
   72    68    73    74  -0.07550 -1.0 2.0
   72    68    73    74   0.20000  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    76   0.23400  1.0 3.0
   73    68    72    52   0.06250  1.0 1.0
   73    68    72    52  -0.01100 -1.0 2.0
   73    68    72    52   0.28050  1.0 3.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72   3.69350  1.0 1.0
   70    64    68    72  -1.82950 -1.0 2.0
   70    64    68    73   0.86500  1.0 1.0
   70    64    68    73  -0.17500 -1.0 2.0
   70    64    68    73   0.20800  1.0 3.0
   66    56    64    65   0.23400  1.0 3.0
   66    56    64    68   0.86500  1.0 1.0
   66    56    64    68  -0.17500 -1.0 2.0
   66    56    64    68   0.20800  1.0 3.0
   66    56    64    70   3.75450  1.0 1.0
   58    52    56    57   0.15000  1.0 3.0
   58    52    56    64   0.56750  1.0 1.0
   58    52    56    64  -0.07550 -1.0 2.0
   58    52    56    64   0.20000  1.0 3.0
   58    52    56    66   0.86500  1.0 1.0
   58    52    56    66  -0.17500 -1.0 2.0
   58    52    56    66   0.20800  1.0 3.0
   58    52    72    68   0.06250  1.0 1.0
   58    52    72    68  -0.01100 -1.0 2.0
   58    52    72    68   0.28050  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
END
