* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    144    224     427
    1     0 S   NP   _N1_     1    29.67287    96.66667   -16.81394
    2     1 S   H    _HN1     2     1.02811    73.21582   -93.63044
    3     1 S   H    _H1_     3     1.02935    75.87385    20.84466
    4     1 S   H    _H2_     4     1.02838    57.84616   141.87473
    5     1 S   CT   _CA1     5     1.50105   168.57978   146.63832
    6     5 S   HC   _HA1     6     1.09566   105.14259    55.04614
    7     5 S   CO3  _C1_     7     1.53642   112.84606   -65.12117
    8     7 S   O2Z  _O11     8     1.26469   115.33350   -35.44985
    9     7 S   O2Z  _O12     9     1.26226   115.22773   144.26457
   10     5 S   CT   _CB1    10     1.53128   107.45957   173.17074
   11    10 S   HC   HB11    11     1.09830   109.35931   -47.92481
   12    10 S   HC   HB12    12     1.09820   110.39148    68.70537
   13    10 S   CT   _CG1    13     1.53029   112.71663  -168.88934
   14    13 S   HC   HG11    14     1.09564   110.64561   -67.64370
   15    13 S   HC   HG12    15     1.09669   109.74912    51.59313
   16    13 S   C    _CD1    16     1.51827   112.24122   172.11711
   17    16 S   O    _OE1    17     1.22718   123.20609    10.47110
   18    16 S   N    _N2_    18     1.38615   111.66617  -170.02445
   19    18 S   H    _HN2    19     1.01579   118.92361     1.50506
   20    18 S   CT1  _CA2    20     1.46169   123.51723   177.54298
   21    20 S   HC   _HA2    21     1.09742   109.31159    -4.66527
   22    20 S   C    _C2_    22     1.53485   108.19645  -119.86760
   23    22 S   O    _O2_    23     1.23024   122.41105  -147.74687
   24    20 S   CT   _CB2    32     1.53332   111.83943   117.54920
   25    24 S   HC   HB21    33     1.09484   110.78388    57.47151
   26    24 S   HC   HB22    34     1.09554   110.08337   175.23309
   27    22 S   N    _N3_    24     1.38369   113.46242    39.67345
   28    27 S   H    _HN3    25     1.01617   119.47984    -3.34855
   29    24 S   S    _SG2    35     1.82844   111.60682   -66.78029
   30    27 S   CT   _CA3    26     1.45273   123.26664   177.16773
   31    30 S   HC   HA31    27     1.09547   107.51487   -64.61920
   32    30 S   HC   HA32    28     1.09555   107.99036    51.83250
   33    29 S   CT   _C6_    36     1.84147   100.94814   124.68416
   34    33 S   HC   _H4_    37     1.09693   107.02662    47.54107
   35    30 S   CO3  _C3_    29     1.52964   114.03340   173.82175
   36    35 S   O2Z  _O31    30     1.26381   116.05112    -0.74230
   37    35 S   O2Z  _O32    31     1.26423   114.42358   179.31529
   38    33 S   CT   _C7_    38     1.53008   110.20712   -69.61561
   39    38 S   HC   _H12    39     1.09474   112.29537   -55.21682
   40    38 S   HC   _H13    40     1.09543   110.39752  -175.70418
   41    38 S   HC   _H14    41     1.09407   111.67789    66.11627
   42    33 S   CT   _C5_    42     1.55028   112.36045   165.12799
   43    42 S   HC   _H3_    43     1.09934   108.42890   175.96726
   44    42 S   CO4  _C8_    44     1.52429   113.37641    57.38266
   45    44 S   O    _O33    45     1.22427   124.76357   -94.77974
   46    42 S   CT   _C4_    72     1.53317   112.54495   -67.72868
   47    46 S   HC   _H9_    73     1.09471   112.35724    65.10532
   48    46 S   HC   _H10    74     1.09495   110.80782   -56.08542
   49    46 S   HC   _H11    75     1.09597   110.41165  -175.46037
   50    44 S   OS   _O34    46     1.36566   109.91860    84.81115
   51    50 S   CT   _C9_    47     1.43600   115.23673  -175.86227
   52    51 S   HC   _H15    48     1.09640   109.15010   -59.94648
   53    51 S   HC   _H16    49     1.09639   108.65160    58.89382
   54    51 S   CT   _C10    50     1.52816   109.23795  -179.78878
   55    54 S   HC   _H5_    51     1.09880   108.65700    58.13510
   56    54 S   CT   _C11    52     1.53491   112.85728   -62.85203
   57    56 S   HC   _H6_    53     1.09583   112.39561   -36.29142
   58    54 S   CT   _C16    68     1.52754   113.45601   179.88465
   59    58 S   HC   _H8_    69     1.09428   112.15028   -74.32935
   60    56 S   CT   _C12    54     1.52464   115.81797    94.44485
   61    60 S   HC   _H17    55     1.09324   113.40296   -33.34154
   62    60 S   HC   _H18    56     1.09703   109.46789  -153.47664
   63    58 S   OH   _O35    70     1.42290   111.11802    47.12340
   64    63 S   HO   _H25    71     0.97277   107.78893   178.21732
   65    60 S   CT   _C13    57     1.51903   104.82845    89.12235
   66    65 S   HC   _H19    58     1.09366   112.32544   160.11855
   67    65 S   HC   _H20    59     1.09618   110.47643   -79.14143
   68    65 S   CT   _C14    60     1.51381   103.24948    39.04035
   69    68 S   HC   _H21    61     1.09443   111.69311    76.91490
   70    68 S   HC   _H22    62     1.09342   114.34638  -157.54434
   71    56 S   NP   _N4_    63     1.53448   104.13788  -151.82406
   72    71 S   H    _H7_    64     1.03457   107.84805   121.74376
   73    71 S   CT   _C15    65     1.51369   108.01771     4.98397
   74    73 S   HC   _H23    66     1.09488   108.03810   -97.31108
   75    73 S   HC   _H24    67     1.09312   107.48567   142.48645
  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
