* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    135    206     401
    1     0 S   NP   _N1_     1    28.62109    95.04836   -23.31456
    2     1 S   H    _HN1     2     1.02783   101.54545   -80.87558
    3     1 S   H    _H1_     3     1.02950    77.62517    25.64999
    4     1 S   H    _H2_     4     1.02828    34.35568   174.23744
    5     1 S   CT   _CA1     5     1.50117   139.52004   132.65380
    6     5 S   HC   _HA1     6     1.09574   105.19549    82.80938
    7     5 S   CO3  _C1_     7     1.53790   112.46881   -37.40268
    8     7 S   O2Z  _O11     8     1.26373   114.99785   -42.10530
    9     7 S   O2Z  _O12     9     1.26242   114.94748   137.02710
   10     5 S   CT   _CB1    10     1.53085   107.42451  -159.21561
   11    10 S   HC   HB11    11     1.09830   109.35843   -49.89516
   12    10 S   HC   HB12    12     1.09813   110.45128    66.71596
   13    10 S   CT   _CG1    13     1.52972   112.59830  -170.89472
   14    13 S   HC   HG11    14     1.09591   110.60071   -65.60666
   15    13 S   HC   HG12    15     1.09674   109.81641    53.59958
   16    13 S   C    _CD1    16     1.51808   112.30610   174.02955
   17    16 S   O    _OE1    17     1.22717   123.34585     5.25281
   18    16 S   N    _N2_    18     1.38612   111.55272  -174.75843
   19    18 S   H    _HN2    19     1.01544   118.84990     1.84228
   20    18 S   CT1  _CA2    20     1.46192   123.54864   177.94452
   21    20 S   HC   _HA2    21     1.09723   109.42250     1.65458
   22    20 S   C    _C2_    22     1.53555   108.56205  -113.96733
   23    22 S   O    _O2_    23     1.23063   122.26667  -148.66501
   24    20 S   CT   _CB2    32     1.53386   111.45789   123.84313
   25    24 S   HC   HB21    33     1.09410   109.51483    56.86015
   26    24 S   HC   HB22    34     1.09474   109.92934   175.50821
   27    22 S   N    _N3_    24     1.38317   113.74772    38.71986
   28    27 S   H    _HN3    25     1.01590   119.57229    -3.23567
   29    24 S   S    _SG2    35     1.83041   111.34034   -65.25513
   30    27 S   CT   _CA3    26     1.45282   123.19401   177.24040
   31    30 S   HC   HA31    27     1.09549   107.50294   -64.93260
   32    30 S   HC   HA32    28     1.09559   107.99066    51.50415
   33    29 S   CT   _C13    36     1.87045   101.79542   161.77721
   34    30 S   CO3  _C3_    29     1.52953   114.09520   173.51914
   35    34 S   O2Z  _O31    30     1.26374   116.06938    -0.21214
   36    34 S   O2Z  _O32    31     1.26429   114.40688   179.84934
   37    33 S   CM   _C12    37     1.52126   106.96175   -69.76381
   38    37 S   HC   _H10    38     1.08945   114.70754   -60.73812
   39    33 S   CT   _C14    66     1.53935   109.08202    56.03150
   40    39 S   HC   _H11    67     1.09649   111.42774    58.60558
   41    39 S   HC   _H12    68     1.09495   112.78003   -62.64394
   42    39 S   HC   _H13    69     1.09605   111.35615   178.09782
   43    33 S   CT   _C15    70     1.54765   105.25785   173.87212
   44    43 S   HC   _H14    71     1.09985   111.04979    57.28305
   45    43 S   HC   _H15    72     1.09936   110.49029   -60.07258
   46    37 S   CM   _C11    39     1.34525   127.06977   120.43092
   47    46 S   HC   _H9_    40     1.08687   118.27661    -2.24995
   48    43 S   CO3  _C16    73     1.53408   114.05526   178.45313
   49    48 S   O2Z  _O35    74     1.26330   115.25531   -86.56943
   50    48 S   O2Z  _O34    75     1.26320   115.07594    94.58360
   51    46 S   CT   _C10    41     1.52847   126.53515   178.26731
   52    51 S   CM   _C5_    42     1.53041   108.10032   109.52648
   53    51 S   OH   _O36    64     1.43473   109.92327    -7.52840
   54    53 S   HO   _H16    65     0.97252   108.19719   -57.77859
   55    52 S   CM   _C6_    43     1.34375   122.89829    98.72355
   56    55 S   HC   _H6_    44     1.08487   121.96348  -179.60091
   57    52 S   CT   _C4_    60     1.50802   117.46778   -80.19491
   58    57 S   HC   _H3_    61     1.09462   110.57495   -66.49486
   59    57 S   HC   _H4_    62     1.09546   112.10630   173.66135
   60    57 S   HC   _H5_    63     1.09357   110.71473    53.93497
   61    55 S   CO4  _C7_    45     1.48183   121.61624    -0.58047
   62    61 S   O    _O33    46     1.23006   119.40373  -177.61788
   63    61 S   CT   _C8_    47     1.51156   118.99649    -0.29541
   64    63 S   HC   _H7_    48     1.09638   107.93103   150.34299
   65    63 S   HC   _H8_    49     1.09622   107.29567   -94.86641
   66    51 S   CT   _C9_    50     1.58286   112.78016  -127.60944
   67    66 S   CT   _C17    51     1.55077   111.78745    48.67197
   68    67 S   HC   _H17    52     1.09488   111.56436    60.02698
   69    67 S   HC   _H18    53     1.09505   111.92169   -61.04342
   70    67 S   HC   _H19    54     1.09606   111.29552   179.89913
   71    66 S   CT   _C18    55     1.56261   110.38523   167.69799
   72    71 S   HC   _H20    56     1.09407   111.96128    55.77757
   73    71 S   HC   _H21    57     1.09557   110.81814   -64.60732
   74    71 S   OH   _O37    58     1.42412   111.31320   176.09871
   75    74 S   HO   _H22    59     0.97248   107.06533   179.13543
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   6   4   3  11   4   2
   1   1  22  14   7   1  11   4   5   2   1   1   7   4  11   4
   3   9   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    66    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    55    63    66    67    71    57    53    54  
   51    52    66    53  
   49    50  
   50  
    0  
   52    55    56    61    63    64    65    66    67    68    69    70    71    72    73    74    57    58    59    60    53    54  
   55    56    61    62    63    66    67    71    57    58    59    60    53    54  
   54    55    57    63    66    67    71  
   66  
   56    61    62    63    64    65    66    57    58    59    60  
   61    62    63    57  
   58    59    60    61    66  
   59    60  
   60  
    0  
   62    63    64    65    66    67    71  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    71  
   66    67    71  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   317.000  1.510
   51    52   317.000  1.510
   51    66   268.000  1.529
   51    53   320.000  1.410
   52    55   549.000  1.340
   52    57   317.000  1.510
   55    56   340.000  1.080
   55    61   320.000  1.462
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   320.000  1.410
   74    75   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    70.00000  109.69300
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    51    52    70.00000  110.12100
   46    51    66    70.00000  112.02700
   46    51    53    90.00000  110.39200
   51    46    47    35.00000  117.00000
   51    52    55    70.00000  124.00000
   51    52    57    65.00000  117.92700
   51    66    63    58.35000  112.70000
   51    66    67    58.35000  112.70000
   51    66    71    58.35000  112.70000
   51    53    54    55.00000  108.50000
   52    55    56    35.00000  120.00000
   52    55    61    65.00000  118.96000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    35.00000  109.50000
   55    61    62    80.00000  123.72100
   55    61    63    65.00000  118.62400
   61    55    56    40.00000  117.72500
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    63.00000  111.10000
   63    61    62    80.00000  120.40000
   63    66    67    58.35000  112.70000
   63    66    71    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    51    52    70.00000  112.02700
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    70    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    58.35000  112.70000
   71    74    75    55.00000  108.50000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   57    52    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    51    52    90.00000  110.39200
   53    51    66    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52  -0.28300  1.0 1.0
   37    46    51    52   0.26700 -1.0 2.0
   37    46    51    52  -0.63300  1.0 3.0
   37    46    51    66   0.09850  1.0 1.0
   37    46    51    66   0.15250 -1.0 2.0
   37    46    51    66  -0.50650  1.0 3.0
   37    46    51    53   0.67800  1.0 1.0
   37    46    51    53   0.47050 -1.0 2.0
   37    46    51    53  -0.62500  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    55  -0.28300  1.0 1.0
   46    51    52    55   0.26700 -1.0 2.0
   46    51    52    55  -0.63300  1.0 3.0
   46    51    52    57   0.09700  1.0 1.0
   46    51    52    57   0.15600 -1.0 2.0
   46    51    52    57  -0.50800  1.0 3.0
   46    51    66    63   0.34400  1.0 1.0
   46    51    66    63   0.09450 -1.0 2.0
   46    51    66    63   0.11100  1.0 3.0
   46    51    66    67   0.34400  1.0 1.0
   46    51    66    67   0.09450 -1.0 2.0
   46    51    66    67   0.11100  1.0 3.0
   46    51    66    71   0.34400  1.0 1.0
   46    51    66    71   0.09450 -1.0 2.0
   46    51    66    71   0.11100  1.0 3.0
   46    51    53    54  -0.07800  1.0 1.0
   46    51    53    54  -0.21500 -1.0 2.0
   46    51    53    54  -0.03150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    66   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    55    56   7.00000 -1.0 2.0
   51    52    55    61   7.00000 -1.0 2.0
   51    52    57    58   0.34800  1.0 3.0
   51    52    57    59   0.34800  1.0 3.0
   51    52    57    60   0.34800  1.0 3.0
   51    66    67    68   0.15000  1.0 3.0
   51    66    67    69   0.15000  1.0 3.0
   51    66    67    70   0.15000  1.0 3.0
   51    66    71    72   0.15000  1.0 3.0
   51    66    71    73   0.15000  1.0 3.0
   51    66    71    74   0.86500  1.0 1.0
   51    66    71    74  -0.17500 -1.0 2.0
   51    66    71    74   0.20800  1.0 3.0
   52    51    66    63   0.34400  1.0 1.0
   52    51    66    63   0.09450 -1.0 2.0
   52    51    66    63   0.11100  1.0 3.0
   52    51    66    67   0.34400  1.0 1.0
   52    51    66    67   0.09450 -1.0 2.0
   52    51    66    67   0.11100  1.0 3.0
   52    51    66    71   0.34400  1.0 1.0
   52    51    66    71   0.09450 -1.0 2.0
   52    51    66    71   0.11100  1.0 3.0
   52    51    53    54  -0.07800  1.0 1.0
   52    51    53    54  -0.21500 -1.0 2.0
   52    51    53    54  -0.03150  1.0 3.0
   52    55    61    62   1.00000 -1.0 2.0
   52    55   -61    63  -0.33500  1.0 1.0
   52    55   -61    63   1.06600 -1.0 2.0
   52    55   -61    63  -0.14000  1.0 3.0
   55    52    57    58   0.00000  1.0 1.0
   55    52    57    59   0.00000  1.0 1.0
   55    52    57    60   0.00000  1.0 1.0
   55    61    63    64   0.00000  1.0 1.0
   55    61    63    65   0.00000  1.0 1.0
   55    61    63    66   0.65300  1.0 1.0
   55    61    63    66  -0.03850 -1.0 2.0
   55    61    63    66   0.33900  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63   0.04550  1.0 1.0
   56    55    61    63   0.83000 -1.0 2.0
   56    55    61    63  -0.04000  1.0 3.0
   61    63   -66    51  -0.95700  1.0 1.0
   61    63   -66    51  -0.18200 -1.0 2.0
   61    63   -66    51   0.29450  1.0 3.0
   61    63    66    67  -0.95700  1.0 1.0
   61    63    66    67  -0.18200 -1.0 2.0
   61    63    66    67   0.29450  1.0 3.0
   61    63    66    71  -0.95700  1.0 1.0
   61    63    66    71  -0.18200 -1.0 2.0
   61    63    66    71   0.29450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    69   0.15000  1.0 3.0
   63    66    67    70   0.15000  1.0 3.0
   63    66    71    72   0.15000  1.0 3.0
   63    66    71    73   0.15000  1.0 3.0
   63    66    71    74   0.86500  1.0 1.0
   63    66    71    74  -0.17500 -1.0 2.0
   63    66    71    74   0.20800  1.0 3.0
   64    63    66    51   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    71   0.15000  1.0 3.0
   65    63    66    51   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    71   0.15000  1.0 3.0
   66    51   -52    55   0.09850  1.0 1.0
   66    51   -52    55   0.15250 -1.0 2.0
   66    51   -52    55  -0.50650  1.0 3.0
   66    51    52    57   0.46850  1.0 1.0
   66    51    52    57   0.08550 -1.0 2.0
   66    51    52    57   0.09800  1.0 3.0
   66    51    53    54  -0.11600  1.0 1.0
   66    51    53    54  -0.09450 -1.0 2.0
   66    51    53    54   0.21250  1.0 3.0
   66    71    74    75  -0.11600  1.0 1.0
   66    71    74    75  -0.09450 -1.0 2.0
   66    71    74    75   0.21250  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.86500  1.0 1.0
   67    66    71    74  -0.17500 -1.0 2.0
   67    66    71    74   0.20800  1.0 3.0
   71    66    67    68   0.15000  1.0 3.0
   71    66    67    69   0.15000  1.0 3.0
   71    66    67    70   0.15000  1.0 3.0
   72    71    74    75   0.19450  1.0 3.0
   73    71    74    75   0.19450  1.0 3.0
   57    52    55    56   7.00000 -1.0 2.0
   57    52    55    61   7.00000 -1.0 2.0
   53    51    52    55   0.67800  1.0 1.0
   53    51    52    55   0.47050 -1.0 2.0
   53    51    52    55  -0.62500  1.0 3.0
   53    51    52    57   0.18000  1.0 1.0
   53    51    52    57   0.16450 -1.0 2.0
   53    51    52    57   0.04450  1.0 3.0
   53    51    66    63   0.86500  1.0 1.0
   53    51    66    63  -0.17500 -1.0 2.0
   53    51    66    63   0.20800  1.0 3.0
   53    51    66    67   0.86500  1.0 1.0
   53    51    66    67  -0.17500 -1.0 2.0
   53    51    66    67   0.20800  1.0 3.0
   53    51    66    71   0.86500  1.0 1.0
   53    51    66    71  -0.17500 -1.0 2.0
   53    51    66    71   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -1.63150  1.0 1.0
   39    33    43    48  -0.43550 -1.0 2.0
   39    33    43    48   0.24500  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   51    57    52    55   1.10000 -1.0 2.0
   61    56    55    52   1.10000 -1.0 2.0
   55    63    61    62  10.50000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
