* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    144    224     427
    1     0 S   NP   _N1_     1    29.39156    98.71551   -20.17630
    2     1 S   H    _HN1     2     1.02929    74.30842    49.27055
    3     1 S   H    _H1_     3     1.02849    54.16057   174.27512
    4     1 S   H    _H2_     4     1.02792    78.74815   -63.70677
    5     1 S   CT   _CA1     5     1.50274   164.32724   159.68281
    6     5 S   HC   _HA1     6     1.09572   104.95740    72.69315
    7     5 S   CO3  _C1_     7     1.53960   112.91834   -46.56543
    8     7 S   O2Z  _O11     8     1.26383   115.39064   -21.83846
    9     7 S   O2Z  _O12     9     1.26343   115.30150   157.78333
   10     5 S   CT   _CB1    10     1.53303   107.29522  -169.38407
   11    10 S   HC   HB11    11     1.09813   109.41710   -44.11409
   12    10 S   HC   HB12    12     1.09813   110.22329    72.50559
   13    10 S   CT   _CG1    13     1.52987   112.95526  -165.13519
   14    13 S   HC   HG11    14     1.09361   110.56027   -65.41269
   15    13 S   HC   HG12    15     1.09676   109.90809    53.58342
   16    13 S   C    _CD1    16     1.51890   112.84982   173.64627
   17    16 S   O    _OE1    17     1.22671   123.38623    -7.03718
   18    16 S   N    _N2_    18     1.38634   111.37710   174.12657
   19    18 S   H    _HN2    19     1.01592   118.79381    -0.75692
   20    18 S   CT1  _CA2    20     1.46261   123.78434   174.91508
   21    20 S   HC   _HA2    21     1.09743   109.38731   -10.82764
   22    20 S   C    _C2_    22     1.53555   107.71950  -125.83075
   23    22 S   O    _O2_    23     1.23008   122.55537  -146.69522
   24    20 S   CT   _CB2    32     1.53351   111.59670   111.94250
   25    24 S   HC   HB21    33     1.09582   110.04543    47.88520
   26    24 S   HC   HB22    34     1.09441   110.34509   167.35761
   27    22 S   N    _N3_    24     1.38413   113.36561    40.73089
   28    27 S   H    _HN3    25     1.01636   119.50340    -3.32402
   29    24 S   S    _SG2    35     1.82726   111.50329   -73.69701
   30    27 S   CT   _CA3    26     1.45292   123.17132   177.08913
   31    30 S   HC   HA31    27     1.09549   107.49060   -64.69588
   32    30 S   HC   HA32    28     1.09555   108.00163    51.73948
   33    29 S   CT   _C6_    36     1.84419   100.53921   162.47473
   34    33 S   HC   _H4_    37     1.09554   105.99095   -59.09030
   35    30 S   CO3  _C3_    29     1.52944   114.08086   173.70851
   36    35 S   O2Z  _O31    30     1.26376   116.03261    -2.03067
   37    35 S   O2Z  _O32    31     1.26424   114.42507   178.04976
   38    33 S   CT   _C7_    38     1.52999   111.27235    57.75846
   39    38 S   HC   _H12    39     1.09504   112.32199    53.32169
   40    38 S   HC   _H13    40     1.09476   111.46048   -67.93755
   41    38 S   HC   _H14    41     1.09576   110.45653   173.84056
   42    33 S   CT   _C5_    42     1.55234   111.81265  -176.50705
   43    42 S   HC   _H3_    43     1.09941   108.13199   173.32521
   44    42 S   CO4  _C8_    44     1.52587   112.09327    57.41559
   45    44 S   O    _O33    45     1.22448   124.70907  -122.22004
   46    42 S   CT   _C4_    72     1.53382   114.32804   -68.64465
   47    46 S   HC   _H9_    73     1.09464   112.05170    61.25919
   48    46 S   HC   _H10    74     1.09400   111.50437   -60.42272
   49    46 S   HC   _H11    75     1.09624   110.52503  -179.37099
   50    44 S   OS   _O34    46     1.36612   110.09218    58.36956
   51    50 S   CT   _C9_    47     1.43591   115.11427  -175.85509
   52    51 S   HC   _H15    48     1.09606   108.71684   -70.04009
   53    51 S   HC   _H16    49     1.09662   109.16449    48.76194
   54    51 S   CT   _C10    50     1.52842   109.29619   170.07134
   55    54 S   HC   _H5_    51     1.09862   108.86207    58.71276
   56    54 S   CT   _C11    52     1.53581   112.56602   -62.40494
   57    56 S   HC   _H6_    53     1.09490   112.25454   -36.20876
   58    54 S   CT   _C16    68     1.52800   113.40277  -179.12084
   59    58 S   HC   _H8_    69     1.09393   112.45407   -74.42426
   60    56 S   CT   _C12    54     1.52456   115.89068    94.41802
   61    60 S   HC   _H17    55     1.09300   113.44290   -32.97989
   62    60 S   HC   _H18    56     1.09716   109.46306  -153.17158
   63    58 S   OH   _O35    70     1.42267   110.42944    46.70379
   64    63 S   HO   _H25    71     0.97415   108.81069   162.70042
   65    60 S   CT   _C13    57     1.51943   104.79709    89.36894
   66    65 S   HC   _H19    58     1.09366   112.31954   160.07000
   67    65 S   HC   _H20    59     1.09620   110.45708   -79.19905
   68    65 S   CT   _C14    60     1.51388   103.26346    38.97507
   69    68 S   HC   _H21    61     1.09515   111.62916    76.65228
   70    68 S   HC   _H22    62     1.09336   114.43984  -157.60397
   71    56 S   NP   _N4_    63     1.53349   104.23847  -151.73650
   72    71 S   H    _H7_    64     1.03449   108.98829   121.16862
   73    71 S   CT   _C15    65     1.51474   107.85990     4.85628
   74    73 S   HC   _H23    66     1.09494   108.00382   -96.75233
   75    73 S   HC   _H24    67     1.09297   107.58563   143.11617
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   7  12   5   4  17   8  18   9  10   6  11   6   5   5   1
   8   5   4   7   4   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    54    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56    58  
   52    53    54    55    56    57    60    71    73    58    59    63  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    60    61    62    65    68    71    72    73    74    75    58    59    63    64  
   56    57    60    71    73    58    59    63  
   57    60    61    62    65    66    67    68    69    70    71    72    73    74    75    58    59    63  
   60    61    62    65    68    71    72    73    58  
   59    63    64    60    68    71    72    73    74    75  
   63    64    71    73    74    75  
   61    62    65    66    67    68    69    70    71    72    73  
   62    65    66    67    68    71  
   65    66    67    68    71  
   64    71    73    74    75  
   73  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73  
   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   0.107500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   72   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    71   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   367.000  1.471
   71    72   434.000  1.010
   71    73   367.000  1.471
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    58   268.000  1.529
   58    59   340.000  1.090
   58    63   320.000  1.410
   63    64   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    54    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    56    71    80.00000  111.20000
   54    58    73    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    63    50.00000  109.50000
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    65    58.35000  112.70000
   56    71    68    75.00000  113.01200
   56    71    72    35.00000  109.50000
   56    71    73    75.00000  113.01200
   60    56    57    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    80.00000  111.20000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    35.00000  109.50000
   68    71    73    75.00000  113.01200
   70    68    69    33.00000  107.80000
   71    56    57    35.00000  109.50000
   71    56    60    80.00000  111.20000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    58    80.00000  111.20000
   73    71    72    35.00000  109.50000
   73    58    59    37.50000  110.70000
   73    58    63    50.00000  109.50000
   75    73    74    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   58    73    74    37.50000  110.70000
   58    73    75    37.50000  110.70000
   58    63    64    55.00000  108.50000
   63    58    59    35.00000  109.50000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53   0.08050  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.62750  1.0 1.0
   50    51    54    56  -0.30950 -1.0 2.0
   50    51    54    56   0.27300  1.0 3.0
   50    51    54    58   0.62750  1.0 1.0
   50    51    54    58  -0.30950 -1.0 2.0
   50    51    54    58   0.27300  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    60   0.56750  1.0 1.0
   51    54    56    60  -0.07550 -1.0 2.0
   51    54    56    60   0.20000  1.0 3.0
   51    54    56    71   1.36600  1.0 1.0
   51    54    56    71  -0.11450 -1.0 2.0
   51    54    56    71   0.24250  1.0 3.0
   51    54    58    73   0.56750  1.0 1.0
   51    54    58    73  -0.07550 -1.0 2.0
   51    54    58    73   0.20000  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    63   0.86500  1.0 1.0
   51    54    58    63  -0.17500 -1.0 2.0
   51    54    58    63   0.20800  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    58   0.15000  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56    60    62   0.15000  1.0 3.0
   54    56    60    65   0.56750  1.0 1.0
   54    56    60    65  -0.07550 -1.0 2.0
   54    56    60    65   0.20000  1.0 3.0
   54    56    71    68   0.47100  1.0 1.0
   54    56    71    72   0.17350  1.0 3.0
   54    56   -71    73   0.47100  1.0 1.0
   54    58    63    64  -0.11600  1.0 1.0
   54    58    63    64  -0.09450 -1.0 2.0
   54    58    63    64   0.21250  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    56    71   0.19200  1.0 3.0
   55    54    58    73   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    63   0.23400  1.0 3.0
   56    54   -58    73   0.56750  1.0 1.0
   56    54   -58    73  -0.07550 -1.0 2.0
   56    54   -58    73   0.20000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    63   0.86500  1.0 1.0
   56    54    58    63  -0.17500 -1.0 2.0
   56    54    58    63   0.20800  1.0 3.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60   -65    68   0.56750  1.0 1.0
   56    60   -65    68  -0.07550 -1.0 2.0
   56    60   -65    68   0.20000  1.0 3.0
   56    71    73    74   0.15000  1.0 3.0
   56    71    73    75   0.15000  1.0 3.0
   56    71   -73    58   0.47100  1.0 1.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   57    56    71    68   0.15000  1.0 3.0
   57    56    71    72   0.13050  1.0 3.0
   57    56    71    73   0.15000  1.0 3.0
   60    56   -71    68   0.47100  1.0 1.0
   60    56    71    72   0.17350  1.0 3.0
   60    56    71    73   0.47100  1.0 1.0
   60    65    68    69   0.15000  1.0 3.0
   60    65    68    70   0.15000  1.0 3.0
   60    65   -68    71   1.36600  1.0 1.0
   60    65   -68    71  -0.11450 -1.0 2.0
   60    65   -68    71   0.24250  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    68   0.15000  1.0 3.0
   65    68   -71    56   0.47100  1.0 1.0
   65    68    71    72   0.17350  1.0 3.0
   65    68    71    73   0.47100  1.0 1.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.19200  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.19200  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    58   0.47100  1.0 1.0
   69    68    71    56   0.15000  1.0 3.0
   69    68    71    72   0.13050  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   70    68    71    56   0.15000  1.0 3.0
   70    68    71    72   0.13050  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   71    56    60    61   0.19200  1.0 3.0
   71    56    60    62   0.19200  1.0 3.0
   71    56   -60    65   1.36600  1.0 1.0
   71    56   -60    65  -0.11450 -1.0 2.0
   71    56   -60    65   0.24250  1.0 3.0
   71    73   -58    54   1.36600  1.0 1.0
   71    73   -58    54  -0.11450 -1.0 2.0
   71    73   -58    54   0.24250  1.0 3.0
   71    73    58    59   0.19200  1.0 3.0
   71    73    58    63   1.69300  1.0 1.0
   71    73    58    63  -0.48450 -1.0 2.0
   72    71    73    74   0.13050  1.0 3.0
   72    71    73    75   0.13050  1.0 3.0
   72    71    73    58   0.17350  1.0 3.0
   73    58    63    64  -0.11600  1.0 1.0
   73    58    63    64  -0.09450 -1.0 2.0
   73    58    63    64   0.21250  1.0 3.0
   74    73    58    54   0.15000  1.0 3.0
   74    73    58    59   0.15000  1.0 3.0
   74    73    58    63   0.23400  1.0 3.0
   75    73    58    54   0.15000  1.0 3.0
   75    73    58    59   0.15000  1.0 3.0
   75    73    58    63   0.23400  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    60   0.56750  1.0 1.0
   58    54    56    60  -0.07550 -1.0 2.0
   58    54    56    60   0.20000  1.0 3.0
   58    54   -56    71   1.36600  1.0 1.0
   58    54   -56    71  -0.11450 -1.0 2.0
   58    54   -56    71   0.24250  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
END
