* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    135    218     404
    1     0 S   NP   _N1_     1    29.09562    97.62142   -20.52879
    2     1 S   H    _HN1     2     1.02785    88.07023   -99.83942
    3     1 S   H    _H1_     3     1.02947    66.76880    11.10411
    4     1 S   H    _H2_     4     1.02824    53.91888   146.26377
    5     1 S   CT   _CA1     5     1.50122   158.71503    97.83957
    6     5 S   HC   _HA1     6     1.09574   105.18179    99.57821
    7     5 S   CO3  _C1_     7     1.53790   112.36753   -20.61986
    8     7 S   O2Z  _O11     8     1.26377   115.00637   -44.23339
    9     7 S   O2Z  _O12     9     1.26234   114.94277   134.72968
   10     5 S   CT   _CB1    10     1.53062   107.38492  -142.49803
   11    10 S   HC   HB11    11     1.09835   109.37215   -49.64805
   12    10 S   HC   HB12    12     1.09810   110.47104    66.96183
   13    10 S   CT   _CG1    13     1.52976   112.59253  -170.60322
   14    13 S   HC   HG11    14     1.09585   110.63232   -65.71790
   15    13 S   HC   HG12    15     1.09668   109.79588    53.50882
   16    13 S   C    _CD1    16     1.51806   112.15419   173.95454
   17    16 S   O    _OE1    17     1.22739   123.30405     7.45335
   18    16 S   N    _N2_    18     1.38593   111.69597  -172.62408
   19    18 S   H    _HN2    19     1.01612   118.88048     0.83251
   20    18 S   CT1  _CA2    20     1.46233   123.53330   178.66954
   21    20 S   HC   _HA2    21     1.09732   109.35572     6.28902
   22    20 S   C    _C2_    22     1.53557   108.88505  -109.47415
   23    22 S   O    _O2_    23     1.23083   122.18854  -147.85297
   24    20 S   CT   _CB2    32     1.53513   111.27684   128.22710
   25    24 S   HC   HB21    33     1.09254   109.06013    58.06501
   26    24 S   HC   HB22    34     1.09445   110.00401   176.67916
   27    22 S   N    _N3_    24     1.38303   113.84722    39.60083
   28    27 S   H    _HN3    25     1.01569   119.62908    -3.30334
   29    24 S   S    _SG2    35     1.82928   110.89028   -63.79315
   30    27 S   CT   _CA3    26     1.45288   123.18283   177.13106
   31    30 S   HC   HA31    27     1.09550   107.51429   -64.35054
   32    30 S   HC   HA32    28     1.09558   107.96878    52.07148
   33    29 S   CT   _C5_    36     1.89200   102.73585   164.65619
   34    30 S   CO3  _C3_    29     1.52956   114.12318   174.07398
   35    34 S   O2Z  _O31    30     1.26369   116.09694    -0.47395
   36    34 S   O2Z  _O32    31     1.26434   114.40385   179.57572
   37    33 S   CT   _C6_    37     1.54752   105.15362    61.65186
   38    37 S   HC   _H10    38     1.09956   109.47819    45.35837
   39    37 S   HC   _H11    39     1.09777   109.73323   -70.56177
   40    33 S   CT   _C11    58     1.56220   111.62866   -60.43182
   41    40 S   HC   _H6_    59     1.09661   109.52046    66.01870
   42    33 S   CT   _C4_    68     1.54192   102.24588   178.01042
   43    42 S   HC   _H7_    69     1.09651   112.10522    59.58983
   44    42 S   HC   _H8_    70     1.09758   111.43899   -60.90271
   45    42 S   HC   _H9_    71     1.08964   112.95099   179.85598
   46    37 S   CT   _C7_    40     1.52678   117.79774   166.29243
   47    46 S   HC   _H12    41     1.09749   106.44488  -175.88734
   48    46 S   HC   _H13    42     1.09676   110.44206   -61.64486
   49    46 S   CT   _C8_    43     1.52382   113.53950    63.79775
   50    49 S   HC   _H3_    44     1.09845   110.31688    48.22691
   51    49 S   CM   _C17    45     1.49539   115.49567   170.11439
   52    51 S   CO4  _C16    46     1.47569   108.24076   146.76725
   53    52 S   O    _O36    47     1.21692   127.40458   168.43186
   54    51 S   CM   _C18    65     1.33613   130.75400   -32.04898
   55    54 S   HC   _H18    66     1.08407   121.55756    -1.15063
   56    54 S   HC   _H19    67     1.08561   121.56827   179.29141
   57    52 S   OS   _O35    48     1.36031   106.50250   -10.29147
   58    49 S   CT   _C9_    49     1.52180   112.69650   -75.85141
   59    58 S   HC   _H4_    50     1.09550   112.05494   -40.69530
   60    58 S   CT   _C10    51     1.53440   114.71389    87.35913
   61    60 S   HC   _H5_    52     1.10245   106.52408    74.03307
   62    60 S   CM   _C14    53     1.52197   114.84494  -170.49593
   63    62 S   CM   _C13    54     1.33595   113.99830   144.61001
   64    63 S   HC   _H14    55     1.07618   128.87158   176.07065
   65    62 S   CT   _C15    60     1.49391   123.06521   -39.73430
   66    65 S   HC   _H15    61     1.09540   111.46075   179.07931
   67    65 S   HC   _H16    62     1.09424   110.95913    58.99781
   68    63 S   CO4  _C12    56     1.46437   105.98798    -0.52002
   69    68 S   O    _O33    57     1.22234   121.85082   166.31005
   70    65 S   OH   _O34    63     1.41976   109.18900   -61.70979
   71    70 S   HO   _H17    64     0.97221   107.07398   175.81900
  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  13   5   4   3
  20   2   1   1  17   7   6  18   8   6   2   1   1  11   5   4
  13   7   9   8   3   4   1   1   5   7   3  10   4   9   7   3
   5   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    60    68    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    49    58    60    61    62    63    68    69    40    41    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    50    51    58    60    68    40    41    42    43    44    45  
   39    46    47    48    49    40    42  
   46    47    48    49    40    42  
   41    65    42    43    44    45    46    49    57    58    59    60    61    62    63    64    68    69  
   42    58    60    61    62    63    68    69  
   43    44    45    46    60    68  
   44    45  
   45  
    0  
   47    48    49    50    51    52    57    58    59    60    54  
   48    49    50    51    58  
   49    50    51    58  
   50    51    52    53    57    58    59    60    61    62    54    55    56  
   51    52    57    58    59    60    54  
   52    53    57    58    59    60    54    55    56  
   53    57    58    59    60    54    55    56  
   57    58    54  
   55    56    57    58  
   56  
    0  
   58    59    60    61    62  
   59    60    61    62    63    68    65  
   60    61    62  
   61    62    63    64    68    69    65    66    67    70  
   62    63    68    65  
   63    64    68    69    65    66    67    70    71  
   64    68    69    65    66    67    70  
   68    69    65  
   66    67    70    71    68  
   67    70    71  
   70    71  
   69  
    0  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    58   268.000  1.529
   51    52   320.000  1.462
   51    54   549.000  1.340
   52    53   570.000  1.229
   52    57   214.000  1.327
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    40   268.000  1.529
   62    63   549.000  1.340
   62    65   317.000  1.510
   63    64   340.000  1.080
   63    68   320.000  1.462
   68    69   570.000  1.229
   68    40   317.000  1.522
   40    41   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
   54    55   340.000  1.080
   54    56   340.000  1.080
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    68    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    70.00000  112.02700
   46    49    58    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    65.00000  116.34900
   49    51    54    70.00000  124.00000
   49    58    57    50.00000  109.50000
   49    58    59    37.50000  110.70000
   49    58    60    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    52    53    80.00000  123.72100
   51    52    57    90.00000  111.29400
   51    54    55    35.00000  120.00000
   51    54    56    35.00000  120.00000
   52    57    58    83.00000  116.90000
   57    52    53    83.00000  123.40000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   58    49    50    37.50000  110.70000
   58    49    51    70.00000  112.02700
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    40    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    62    63    70.00000  124.00000
   60    62    65    65.00000  117.92700
   60    40    68    63.00000  111.10000
   60    40    41    37.50000  110.70000
   62    60    61    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    68    65.00000  118.96000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    70    90.00000  110.39200
   63    68    69    80.00000  123.72100
   63    68    40    65.00000  118.62400
   68    63    64    40.00000  117.72500
   68    40    41    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    70.00000  112.02700
   40    68    69    80.00000  120.40000
   65    62    63    70.00000  124.00000
   65    70    71    55.00000  108.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   54    51    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    60   0.44750  1.0 1.0
   29    33    40    60  -0.17800 -1.0 2.0
   29    33    40    60   0.20200  1.0 3.0
   29    33    40    68   0.56750  1.0 1.0
   29    33    40    68  -0.07550 -1.0 2.0
   29    33    40    68   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    49   0.56750  1.0 1.0
   33    37    46    49  -0.07550 -1.0 2.0
   33    37    46    49   0.20000  1.0 3.0
   37    33    40    60   0.56750  1.0 1.0
   37    33    40    60  -0.07550 -1.0 2.0
   37    33    40    60   0.20000  1.0 3.0
   37    33    40    68  -0.95700  1.0 1.0
   37    33    40    68  -0.18200 -1.0 2.0
   37    33    40    68   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    49    50   0.15000  1.0 3.0
   37    46    49    51   0.34400  1.0 1.0
   37    46    49    51   0.09450 -1.0 2.0
   37    46    49    51   0.11100  1.0 3.0
   37    46    49    58   0.56750  1.0 1.0
   37    46    49    58  -0.07550 -1.0 2.0
   37    46    49    58   0.20000  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    49   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    49   0.15000  1.0 3.0
   46    49    51    52   0.09700  1.0 1.0
   46    49    51    52   0.15600 -1.0 2.0
   46    49    51    52  -0.50800  1.0 3.0
   46    49    51    54   0.09850  1.0 1.0
   46    49    51    54   0.15250 -1.0 2.0
   46    49    51    54  -0.50650  1.0 3.0
   46    49    58    57   0.62750  1.0 1.0
   46    49    58    57  -0.30950 -1.0 2.0
   46    49    58    57   0.27300  1.0 3.0
   46    49    58    59   0.15000  1.0 3.0
   46    49    58    60   0.56750  1.0 1.0
   46    49    58    60  -0.07550 -1.0 2.0
   46    49    58    60   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    58   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    58   0.15000  1.0 3.0
   49    51    52    53  -0.64400  1.0 1.0
   49    51    52    53   0.26850 -1.0 2.0
   49    51   -52    57  -0.15000  1.0 1.0
   49    51   -52    57   0.89550 -1.0 2.0
   49    51   -52    57  -0.06900  1.0 3.0
   49    51    54    55   7.00000 -1.0 2.0
   49    51    54    56   7.00000 -1.0 2.0
   49    58    60    61   0.15000  1.0 3.0
   49    58    60    62   0.34400  1.0 1.0
   49    58    60    62   0.09450 -1.0 2.0
   49    58    60    62   0.11100  1.0 3.0
   49    58    60    40   0.56750  1.0 1.0
   49    58    60    40  -0.07550 -1.0 2.0
   49    58    60    40   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    54   0.00000  1.0 1.0
   50    49    58    57   0.23400  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   51    49   -58    57   0.61850  1.0 1.0
   51    49   -58    57  -0.22750 -1.0 2.0
   51    49   -58    57   0.15300  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.34400  1.0 1.0
   51    49    58    60   0.09450 -1.0 2.0
   51    49    58    60   0.11100  1.0 3.0
   51    52   -57    58   2.00000 -1.0 2.0
   52    51    54    55   7.00000 -1.0 2.0
   52    51    54    56   7.00000 -1.0 2.0
   52    57   -58    49  -0.25900  1.0 1.0
   52    57   -58    49  -0.47000 -1.0 2.0
   52    57   -58    49   0.11750  1.0 3.0
   52    57    58    59   0.08050  1.0 3.0
   52    57    58    60  -0.25900  1.0 1.0
   52    57    58    60  -0.47000 -1.0 2.0
   52    57    58    60   0.11750  1.0 3.0
   53    52    57    58   3.00000 -1.0 2.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.61850  1.0 1.0
   57    58    60    62  -0.22750 -1.0 2.0
   57    58    60    62   0.15300  1.0 3.0
   57    58    60    40   0.62750  1.0 1.0
   57    58    60    40  -0.30950 -1.0 2.0
   57    58    60    40   0.27300  1.0 3.0
   58    49   -51    52   0.09700  1.0 1.0
   58    49   -51    52   0.15600 -1.0 2.0
   58    49   -51    52  -0.50800  1.0 3.0
   58    49    51    54   0.09850  1.0 1.0
   58    49    51    54   0.15250 -1.0 2.0
   58    49    51    54  -0.50650  1.0 3.0
   58    60    62    63   0.09850  1.0 1.0
   58    60    62    63   0.15250 -1.0 2.0
   58    60    62    63  -0.50650  1.0 3.0
   58    60    62    65   0.46850  1.0 1.0
   58    60    62    65   0.08550 -1.0 2.0
   58    60    62    65   0.09800  1.0 3.0
   58    60    40    33   0.56750  1.0 1.0
   58    60    40    33  -0.07550 -1.0 2.0
   58    60    40    33   0.20000  1.0 3.0
   58    60    40    68  -0.95700  1.0 1.0
   58    60    40    68  -0.18200 -1.0 2.0
   58    60    40    68   0.29450  1.0 3.0
   58    60    40    41   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    40   0.15000  1.0 3.0
   60    62    63    64   7.00000 -1.0 2.0
   60    62   -63    68   7.00000 -1.0 2.0
   60    62    65    66   0.34800  1.0 3.0
   60    62    65    67   0.34800  1.0 3.0
   60    62    65    70   0.18000  1.0 1.0
   60    62    65    70   0.16450 -1.0 2.0
   60    62    65    70   0.04450  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    65   0.34800  1.0 3.0
   61    60    40    33   0.15000  1.0 3.0
   61    60    40    68  -0.11250  1.0 3.0
   61    60    40    41   0.15000  1.0 3.0
   62    60    40    33   0.34400  1.0 1.0
   62    60    40    33   0.09450 -1.0 2.0
   62    60    40    33   0.11100  1.0 3.0
   62    60   -40    68  -0.98800  1.0 1.0
   62    60   -40    68   0.48800 -1.0 2.0
   62    60   -40    68   0.76800  1.0 3.0
   62    60    40    41   0.15000  1.0 3.0
   62    63    68    69   1.00000 -1.0 2.0
   62    63   -68    40  -0.33500  1.0 1.0
   62    63   -68    40   1.06600 -1.0 2.0
   62    63   -68    40  -0.14000  1.0 3.0
   62    65    70    71  -0.07800  1.0 1.0
   62    65    70    71  -0.21500 -1.0 2.0
   62    65    70    71  -0.03150  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    70   0.67800  1.0 1.0
   63    62    65    70   0.47050 -1.0 2.0
   63    62    65    70  -0.62500  1.0 3.0
   63    68    40    33   0.65300  1.0 1.0
   63    68    40    33  -0.03850 -1.0 2.0
   63    68    40    33   0.33900  1.0 3.0
   63    68   -40    60   0.65300  1.0 1.0
   63    68   -40    60  -0.03850 -1.0 2.0
   63    68   -40    60   0.33900  1.0 3.0
   63    68    40    41   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    40   0.04550  1.0 1.0
   64    63    68    40   0.83000 -1.0 2.0
   64    63    68    40  -0.04000  1.0 3.0
   69    68    40    33   0.30150 -1.0 2.0
   69    68    40    60   0.30150 -1.0 2.0
   69    68    40    41   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    60   -62    63   0.09850  1.0 1.0
   40    60   -62    63   0.15250 -1.0 2.0
   40    60   -62    63  -0.50650  1.0 3.0
   40    60    62    65   0.46850  1.0 1.0
   40    60    62    65   0.08550 -1.0 2.0
   40    60    62    65   0.09800  1.0 3.0
   65    62    63    64   7.00000 -1.0 2.0
   65    62    63    68   7.00000 -1.0 2.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71   0.19450  1.0 3.0
   54    51    52    53   1.00000 -1.0 2.0
   54    51    52    57  -0.56150  1.0 1.0
   54    51    52    57   2.19150 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    60   0.56750  1.0 1.0
   42    33    40    60  -0.07550 -1.0 2.0
   42    33    40    60   0.20000  1.0 3.0
   42    33    40    68  -0.95700  1.0 1.0
   42    33    40    68  -0.18200 -1.0 2.0
   42    33    40    68   0.29450  1.0 3.0
   42    33    40    41   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   49    52    51    54   1.10000 -1.0 2.0
   51    57    52    53  10.50000 -1.0 2.0
   60    65    62    63   1.10000 -1.0 2.0
   68    64    63    62   1.10000 -1.0 2.0
   63    40    68    69  10.50000 -1.0 2.0
   55    56    54    51   1.10000 -1.0 2.0
END
