* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    228     416
    1     0 S   NP   _N1_     1    28.90768    94.97767   -20.08689
    2     1 S   H    _HN1     2     1.02767    78.95369   -82.08363
    3     1 S   H    _H1_     3     1.02964    94.56004    25.82019
    4     1 S   H    _H2_     4     1.02832    37.64868   137.79254
    5     1 S   CT   _CA1     5     1.50182   146.20995   164.00083
    6     5 S   HC   _HA1     6     1.09540   105.26650    42.62797
    7     5 S   CO3  _C1_     7     1.54020   112.39346   -77.83805
    8     7 S   O2Z  _O11     8     1.26385   114.98970   -34.30125
    9     7 S   O2Z  _O12     9     1.26271   115.25532   144.92386
   10     5 S   CT   _CB1    10     1.53143   107.45112   161.19368
   11    10 S   HC   HB11    11     1.09813   110.10875   -42.32377
   12    10 S   HC   HB12    12     1.09834   110.04030    74.45281
   13    10 S   CT   _CG1    13     1.53009   112.54068  -163.18259
   14    13 S   HC   HG11    14     1.09379   110.52721   -51.39961
   15    13 S   HC   HG12    15     1.09609   110.17390    67.45234
   16    13 S   C    _CD1    16     1.51777   111.94159  -172.33504
   17    16 S   O    _OE1    17     1.22744   123.05812   -19.89196
   18    16 S   N    _N2_    18     1.38549   111.77792   160.92484
   19    18 S   H    _HN2    19     1.01568   118.98904     2.16048
   20    18 S   CT1  _CA2    20     1.46198   123.51189  -175.74762
   21    20 S   HC   _HA2    21     1.09717   109.52244   -13.69761
   22    20 S   C    _C2_    22     1.53349   108.16928  -129.62236
   23    22 S   O    _O2_    23     1.23004   122.31412  -144.39695
   24    20 S   CT   _CB2    32     1.53474   110.93132   108.42719
   25    24 S   HC   HB21    33     1.09462   109.36987    54.44141
   26    24 S   HC   HB22    34     1.09501   110.79942   172.93825
   27    22 S   N    _N3_    24     1.38533   113.29836    42.87471
   28    27 S   H    _HN3    25     1.01533   118.90374    -0.47147
   29    24 S   S    _SG2    35     1.82864   111.71941   -67.62132
   30    27 S   CT   _CA3    26     1.45444   123.37613   175.23494
   31    30 S   HC   HA31    27     1.09528   109.14335    26.10218
   32    30 S   HC   HA32    28     1.09493   107.14160   143.07647
   33    29 S   CT   _C8_    36     1.82888    99.97470   154.16353
   34    33 S   HC   _H4_    37     1.10026   103.94169    52.46233
   35    30 S   CO3  _C3_    29     1.52928   113.18847   -97.32076
   36    35 S   O2Z  _O31    30     1.26397   115.43143   -44.32742
   37    35 S   O2Z  _O32    31     1.26361   114.96919   136.63016
   38    33 S   CT   _C7_    38     1.54285   117.41091   -64.88714
   39    38 S   HC   _H3_    39     1.09690   109.07459    86.98664
   40    38 S   CM   _C6_    40     1.51826   103.54846  -154.99119
   41    40 S   CM   _C5_    41     1.35075   120.10207   173.34236
   42    40 S   CT   _C10    62     1.50451   110.44833    -0.23407
   43    42 S   HC   _H5_    63     1.09369   114.30279   145.08208
   44    41 S   C3T  _C15    42     1.50619   118.50312     2.77784
   45    41 S   CT   _C4_    58     1.50448   122.82511  -175.06716
   46    45 S   HC   _H6_    59     1.09497   110.23315   121.84286
   47    45 S   HC   _H7_    60     1.09270   113.28473     1.73844
   48    45 S   HC   _H8_    61     1.09480   110.43184  -117.90408
   49    33 S   CT   _C9_    64     1.55873   116.02118   169.20271
   50    42 S   OH   _O33    73     1.42335   108.16727   -93.42171
   51    50 S   HO   _H9_    74     0.97261   107.39127   -65.18057
   52    44 S   C3T  _C16    43     1.52076   120.45318   170.08075
   53    52 S   HC   _H16    44     1.08489   118.50139   150.97421
   54    52 S   HC   _H17    45     1.08256   120.64743     5.22360
   55    44 S   CT   _C14    49     1.54481   113.99628   -41.70434
   56    49 S   CT   _C11    65     1.54463   114.18496    52.36215
   57    56 S   HC   _H10    66     1.09473   111.83874   -64.37917
   58    56 S   HC   _H11    67     1.09671   110.29681   176.73847
   59    56 S   HC   _H12    68     1.09295   112.87910    57.51765
   60    49 S   CT   _C12    69     1.53910   111.53134   -70.36071
   61    60 S   HC   _H13    70     1.09544   111.35824    70.29987
   62    60 S   HC   _H14    71     1.09531   111.99679   -49.81985
   63    60 S   HC   _H15    72     1.09586   110.77424  -169.98922
   64    44 S   C3T  _C17    46     1.52858   114.20579   103.39637
   65    64 S   HC   _H18    47     1.08537   118.86163     5.32038
   66    64 S   HC   _H19    48     1.08201   120.75781  -141.67861
   67    38 S   CO4  _C13    50     1.53240   120.93526   -39.22959
   68    67 S   O    _O34    51     1.22966   123.59723     5.57042
   69    55 S   CT   _C18    52     1.52963   114.96557   147.32580
   70    69 S   HC   _H20    53     1.09513   111.46666    60.93259
   71    69 S   HC   _H21    54     1.09514   111.79538   -61.19141
   72    69 S   HC   _H22    55     1.09620   111.05194   179.06247
   73    55 S   OH   _O35    56     1.42781   107.64268   -91.40938
   74    73 S   HO   _H23    57     0.97552   108.33739  -175.54324
  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
  20   8   2   1   1  16   7  18  19  15   5  19   6   2   1   1
  11   3   1   9   5   4  11   7   3   2   1   3   2   1   1   5
   1   1   7   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    67    42    49    56    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    67    68    42    43    49    56    57    58    59    60    61    62    63    50  
   38    39    40    67    42    49    56    60  
   36    37  
   37  
    0  
   39    40    41    44    55    67    68    69    73    45    42    43    49    56    60    50  
   40    41    55    67    68    42    49  
   41    44    52    64    55    67    68    45    46    47    48    42    43    49    56    60    50    51  
   44    52    53    54    64    65    66    55    67    69    73    45    46    47    48    42    43    49    50  
   43    49    56    57    58    59    60    61    62    63    50    51    44    45    67  
   49    56    60    50    51  
   52    53    54    64    65    66    55    67    68    69    70    71    72    73    74    45    46    47    48  
   46    47    48    52    55    64  
   47    48  
   48  
    0  
   56    57    58    59    60    61    62    63    50    51    67  
   51    56    60  
    0  
   53    54    64    65    66    55    67    69    73  
   54    64    65    66    55  
   64    65    66    55  
   67    68    69    70    71    72    73    74    64    65    66  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    69    73  
   66  
    0  
   68    69    70    71    72    73    74  
   69    73  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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    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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    67   317.000  1.522
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    44   305.000  1.480
   41    45   317.000  1.510
   44    52   260.000  1.509
   44    64   260.000  1.509
   44    55   275.000  1.510
   52    53   340.000  1.088
   52    54   340.000  1.088
   52    64   260.000  1.509
   64    65   340.000  1.088
   64    66   340.000  1.088
   55    67   317.000  1.522
   55    69   268.000  1.529
   55    73   320.000  1.410
   67    68   570.000  1.229
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    50   320.000  1.410
   49    56   268.000  1.529
   49    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   50    51   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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    67    63.00000  111.10000
   33    49    42    58.35000  112.70000
   33    49    56    58.35000  112.70000
   33    49    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    70.00000  124.00000
   38    40    42    65.00000  117.92700
   38    67    55    70.00000  116.00000
   38    67    68    80.00000  120.40000
   40    38    39    35.00000  109.50000
   40    41    44    55.00000  125.06700
   40    41    45    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    49    70.00000  112.02700
   40    42    50    90.00000  110.39200
   41    44    52    60.00000  120.58800
   41    44    64    60.00000  120.58800
   41    44    55    65.00000  117.55000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   44    52    53    37.50000  117.20000
   44    52    54    37.50000  117.20000
   44    52    64    10.00000   60.00500
   44    64    52    10.00000   60.00500
   44    64    65    37.50000  117.20000
   44    64    66    37.50000  117.20000
   44    55    67    63.00000  111.10000
   44    55    69    70.00000  112.37300
   44    55    73    50.00000  109.50000
   52    64    65    37.50000  117.20000
   52    64    66    37.50000  117.20000
   54    52    53    35.00000  114.30000
   64    44    52    10.00000   60.00500
   64    52    53    37.50000  117.20000
   64    52    54    37.50000  117.20000
   66    64    65    35.00000  114.30000
   55    44    52    60.00000  120.94000
   55    44    64    60.00000  120.94000
   55    67    68    80.00000  120.40000
   55    69    70    37.50000  110.70000
   55    69    71    37.50000  110.70000
   55    69    72    37.50000  110.70000
   55    73    74    55.00000  108.50000
   67    38    39    35.00000  109.50000
   67    38    40    70.00000  109.06800
   69    55    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    55    67    90.00000  109.61100
   73    55    69    50.00000  109.50000
   45    41    44    65.00000  117.92700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    40    41    70.00000  124.00000
   42    49    56    58.35000  112.70000
   42    49    60    58.35000  112.70000
   42    50    51    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    63    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    49    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   50    42    43    35.00000  109.50000
   50    42    49    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    67   0.56750  1.0 1.0
   29    33    38    67  -0.07550 -1.0 2.0
   29    33    38    67   0.20000  1.0 3.0
   29    33    49    42   0.44750  1.0 1.0
   29    33    49    42  -0.17800 -1.0 2.0
   29    33    49    42   0.20200  1.0 3.0
   29    33    49    56   0.44750  1.0 1.0
   29    33    49    56  -0.17800 -1.0 2.0
   29    33    49    56   0.20200  1.0 3.0
   29    33    49    60   0.44750  1.0 1.0
   29    33    49    60  -0.17800 -1.0 2.0
   29    33    49    60   0.20200  1.0 3.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38   -40    42   0.46850  1.0 1.0
   33    38   -40    42   0.08550 -1.0 2.0
   33    38   -40    42   0.09800  1.0 3.0
   33    38    67    55   0.60050  1.0 1.0
   33    38    67    55   0.05600 -1.0 2.0
   33    38    67    55   0.26150  1.0 3.0
   33    38    67    68   0.30150 -1.0 2.0
   33    49    56    57   0.15000  1.0 3.0
   33    49    56    58   0.15000  1.0 3.0
   33    49    56    59   0.15000  1.0 3.0
   33    49    60    61   0.15000  1.0 3.0
   33    49    60    62   0.15000  1.0 3.0
   33    49    60    63   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    67  -0.11250  1.0 3.0
   34    33    49    42   0.15000  1.0 3.0
   34    33    49    56   0.15000  1.0 3.0
   34    33    49    60   0.15000  1.0 3.0
   38    33   -49    42   0.56750  1.0 1.0
   38    33   -49    42  -0.07550 -1.0 2.0
   38    33   -49    42   0.20000  1.0 3.0
   38    33    49    56   0.56750  1.0 1.0
   38    33    49    56  -0.07550 -1.0 2.0
   38    33    49    56   0.20000  1.0 3.0
   38    33    49    60   0.56750  1.0 1.0
   38    33    49    60  -0.07550 -1.0 2.0
   38    33    49    60   0.20000  1.0 3.0
   38    40    41    44   7.00000 -1.0 2.0
   38    40    41    45   7.00000 -1.0 2.0
   38    40    42    43   0.34800  1.0 3.0
   38    40   -42    49   0.46850  1.0 1.0
   38    40   -42    49   0.08550 -1.0 2.0
   38    40   -42    49   0.09800  1.0 3.0
   38    40    42    50   0.18000  1.0 1.0
   38    40    42    50   0.16450 -1.0 2.0
   38    40    42    50   0.04450  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.34800  1.0 3.0
   39    38    67    55   0.00000  1.0 1.0
   39    38    67    68   0.00000  1.0 1.0
   40    38    67    55   0.65300  1.0 1.0
   40    38    67    55  -0.03850 -1.0 2.0
   40    38    67    55   0.33900  1.0 3.0
   40    38    67    68   0.30150 -1.0 2.0
   40    41    44    52   0.09850  1.0 1.0
   40    41    44    52   0.15250 -1.0 2.0
   40    41    44    52  -0.50650  1.0 3.0
   40    41    44    64   0.09850  1.0 1.0
   40    41    44    64   0.15250 -1.0 2.0
   40    41    44    64  -0.50650  1.0 3.0
   40    41   -44    55   0.09850  1.0 1.0
   40    41   -44    55   0.15250 -1.0 2.0
   40    41   -44    55  -0.50650  1.0 3.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    47   0.00000  1.0 1.0
   40    41    45    48   0.00000  1.0 1.0
   40    42   -49    33   0.34400  1.0 1.0
   40    42   -49    33   0.09450 -1.0 2.0
   40    42   -49    33   0.11100  1.0 3.0
   40    42    49    56   0.34400  1.0 1.0
   40    42    49    56   0.09450 -1.0 2.0
   40    42    49    56   0.11100  1.0 3.0
   40    42    49    60   0.34400  1.0 1.0
   40    42    49    60   0.09450 -1.0 2.0
   40    42    49    60   0.11100  1.0 3.0
   40    42    50    51  -0.07800  1.0 1.0
   40    42    50    51  -0.21500 -1.0 2.0
   40    42    50    51  -0.03150  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    49   0.09850  1.0 1.0
   41    40    42    49   0.15250 -1.0 2.0
   41    40    42    49  -0.50650  1.0 3.0
   41    40    42    50   0.67800  1.0 1.0
   41    40    42    50   0.47050 -1.0 2.0
   41    40    42    50  -0.62500  1.0 3.0
   41    44    52    53   0.15000  1.0 3.0
   41    44    52    54   0.15000  1.0 3.0
   41    44   -52    64   0.34400  1.0 1.0
   41    44   -52    64   0.09450 -1.0 2.0
   41    44   -52    64   0.11100  1.0 3.0
   41    44   -64    52   0.34400  1.0 1.0
   41    44   -64    52   0.09450 -1.0 2.0
   41    44   -64    52   0.11100  1.0 3.0
   41    44    64    65   0.15000  1.0 3.0
   41    44    64    66   0.15000  1.0 3.0
   41    44    55    67  -0.98800  1.0 1.0
   41    44    55    67   0.48800 -1.0 2.0
   41    44    55    67   0.76800  1.0 3.0
   41    44    55    69   0.34400  1.0 1.0
   41    44    55    69   0.09450 -1.0 2.0
   41    44    55    69   0.11100  1.0 3.0
   41    44    55    73   1.05650  1.0 1.0
   41    44    55    73   0.15600 -1.0 2.0
   41    44    55    73   0.53150  1.0 3.0
   44    41    45    46   0.34800  1.0 3.0
   44    41    45    47   0.34800  1.0 3.0
   44    41    45    48   0.34800  1.0 3.0
   44    52   -64    65   0.15000  1.0 3.0
   44    52   -64    66   0.15000  1.0 3.0
   44    55   -67    38   0.60050  1.0 1.0
   44    55   -67    38   0.05600 -1.0 2.0
   44    55   -67    38   0.26150  1.0 3.0
   44    55    67    68   0.30150 -1.0 2.0
   44    55    69    70   0.15000  1.0 3.0
   44    55    69    71   0.15000  1.0 3.0
   44    55    69    72   0.15000  1.0 3.0
   44    55    73    74  -0.11600  1.0 1.0
   44    55    73    74  -0.09450 -1.0 2.0
   44    55    73    74   0.21250  1.0 3.0
   52    44   -64    65   0.15000  1.0 3.0
   52    44   -64    66   0.15000  1.0 3.0
   52    44    55    67  -0.95700  1.0 1.0
   52    44    55    67  -0.18200 -1.0 2.0
   52    44    55    67   0.29450  1.0 3.0
   52    44    55    69   0.07850  1.0 1.0
   52    44    55    69  -0.03950 -1.0 2.0
   52    44    55    69   0.67350  1.0 3.0
   52    44    55    73   0.86500  1.0 1.0
   52    44    55    73  -0.17500 -1.0 2.0
   52    44    55    73   0.20800  1.0 3.0
   53    52   -64    44   0.15000  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    66   0.15000  1.0 3.0
   54    52   -64    44   0.15000  1.0 3.0
   54    52    64    65   0.15000  1.0 3.0
   54    52    64    66   0.15000  1.0 3.0
   64    44   -52    53   0.15000  1.0 3.0
   64    44   -52    54   0.15000  1.0 3.0
   64    44    55    67  -0.95700  1.0 1.0
   64    44    55    67  -0.18200 -1.0 2.0
   64    44    55    67   0.29450  1.0 3.0
   64    44    55    69   0.07850  1.0 1.0
   64    44    55    69  -0.03950 -1.0 2.0
   64    44    55    69   0.67350  1.0 3.0
   64    44    55    73   0.86500  1.0 1.0
   64    44    55    73  -0.17500 -1.0 2.0
   64    44    55    73   0.20800  1.0 3.0
   55    44    52    53   0.15000  1.0 3.0
   55    44    52    54   0.15000  1.0 3.0
   55    44   -52    64   0.07850  1.0 1.0
   55    44   -52    64  -0.03950 -1.0 2.0
   55    44   -52    64   0.67350  1.0 3.0
   55    44   -64    52   0.07850  1.0 1.0
   55    44   -64    52  -0.03950 -1.0 2.0
   55    44   -64    52   0.67350  1.0 3.0
   55    44    64    65   0.15000  1.0 3.0
   55    44    64    66   0.15000  1.0 3.0
   67    38   -40    41  -0.51250  1.0 1.0
   67    38   -40    41  -0.88800 -1.0 2.0
   67    38   -40    41   0.08850  1.0 3.0
   67    38    40    42   0.17250  1.0 1.0
   67    38    40    42  -0.04100 -1.0 2.0
   67    38    40    42  -0.33850  1.0 3.0
   67    55    69    70  -0.11250  1.0 3.0
   67    55    69    71  -0.11250  1.0 3.0
   67    55    69    72  -0.11250  1.0 3.0
   67    55    73    74   0.91850  1.0 1.0
   67    55    73    74   0.57950  1.0 3.0
   69    55    67    38   0.60050  1.0 1.0
   69    55    67    38   0.05600 -1.0 2.0
   69    55    67    38   0.26150  1.0 3.0
   69    55    67    68   0.30150 -1.0 2.0
   69    55    73    74  -0.11600  1.0 1.0
   69    55    73    74  -0.09450 -1.0 2.0
   69    55    73    74   0.21250  1.0 3.0
   73    55    67    38   0.55300  1.0 1.0
   73    55    67    38   1.25850 -1.0 2.0
   73    55    67    38  -0.23600  1.0 3.0
   73    55    67    68   0.30150 -1.0 2.0
   73    55    69    70   0.23400  1.0 3.0
   73    55    69    71   0.23400  1.0 3.0
   73    55    69    72   0.23400  1.0 3.0
   45    41    44    52   0.46850  1.0 1.0
   45    41    44    52   0.08550 -1.0 2.0
   45    41    44    52   0.09800  1.0 3.0
   45    41    44    64   0.46850  1.0 1.0
   45    41    44    64   0.08550 -1.0 2.0
   45    41    44    64   0.09800  1.0 3.0
   45    41    44    55   0.46850  1.0 1.0
   45    41    44    55   0.08550 -1.0 2.0
   45    41    44    55   0.09800  1.0 3.0
   42    40    41    44   7.00000 -1.0 2.0
   42    40    41    45   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    59   0.15000  1.0 3.0
   42    49    60    61   0.15000  1.0 3.0
   42    49    60    62   0.15000  1.0 3.0
   42    49    60    63   0.15000  1.0 3.0
   43    42    49    33   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    60   0.15000  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    67  -0.95700  1.0 1.0
   49    33    38    67  -0.18200 -1.0 2.0
   49    33    38    67   0.29450  1.0 3.0
   49    42    50    51  -0.11600  1.0 1.0
   49    42    50    51  -0.09450 -1.0 2.0
   49    42    50    51   0.21250  1.0 3.0
   56    49    60    61   0.15000  1.0 3.0
   56    49    60    62   0.15000  1.0 3.0
   56    49    60    63   0.15000  1.0 3.0
   60    49    56    57   0.15000  1.0 3.0
   60    49    56    58   0.15000  1.0 3.0
   60    49    56    59   0.15000  1.0 3.0
   50    42    49    33   0.86500  1.0 1.0
   50    42    49    33  -0.17500 -1.0 2.0
   50    42    49    33   0.20800  1.0 3.0
   50    42    49    56   0.86500  1.0 1.0
   50    42    49    56  -0.17500 -1.0 2.0
   50    42    49    56   0.20800  1.0 3.0
   50    42    49    60   0.86500  1.0 1.0
   50    42    49    60  -0.17500 -1.0 2.0
   50    42    49    60   0.20800  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
   38    42    40    41   1.10000 -1.0 2.0
   44    45    41    40   1.10000 -1.0 2.0
   38    55    67    68  10.50000 -1.0 2.0
END
