* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    138    209     409
    1     0 S   NP   _N1_     1    28.36676    97.95997   -24.75571
    2     1 S   H    _HN1     2     1.02776   116.27609  -103.11396
    3     1 S   H    _H1_     3     1.02958    68.82258    -2.44681
    4     1 S   H    _H2_     4     1.02835    38.45134   170.93876
    5     1 S   CT   _CA1     5     1.50128   128.74454    97.22656
    6     5 S   HC   _HA1     6     1.09574   105.21588    98.82364
    7     5 S   CO3  _C1_     7     1.53790   112.39055   -21.36934
    8     7 S   O2Z  _O11     8     1.26365   114.99543   -43.27911
    9     7 S   O2Z  _O12     9     1.26238   114.93595   135.85179
   10     5 S   CT   _CB1    10     1.53099   107.42615  -143.25228
   11    10 S   HC   HB11    11     1.09826   109.33888   -50.47046
   12    10 S   HC   HB12    12     1.09816   110.41977    66.09235
   13    10 S   CT   _CG1    13     1.53012   112.66507  -171.54520
   14    13 S   HC   HG11    14     1.09595   110.47961   -64.33587
   15    13 S   HC   HG12    15     1.09657   109.92115    54.85657
   16    13 S   C    _CD1    16     1.51841   112.35040   175.23519
   17    16 S   O    _OE1    17     1.22747   123.27854     0.02798
   18    16 S   N    _N2_    18     1.38521   111.65984  -180.00000
   19    18 S   H    _HN2    19     1.01561   119.06614     4.62995
   20    18 S   CT1  _CA2    20     1.45919   123.03457   177.95349
   21    20 S   HC   _HA2    21     1.09722   108.92860    22.82884
   22    20 S   C    _C2_    22     1.52870   106.68378   -94.21888
   23    22 S   O    _O2_    23     1.23006   122.92414   -30.30855
   24    20 S   CT   _CB2    32     1.53149   112.02587   145.94757
   25    24 S   HC   HB21    33     1.09572   110.04764    53.15647
   26    24 S   HC   HB22    34     1.09465   110.14127   172.39277
   27    22 S   N    _N3_    24     1.38497   112.68311   151.87374
   28    27 S   H    _HN3    25     1.01647   120.32788     0.10087
   29    24 S   S    _SG2    35     1.82798   110.66371   -67.57105
   30    27 S   CT   _CA3    26     1.45365   122.44602   178.94947
   31    30 S   HC   HA31    27     1.09559   107.34625   -67.74493
   32    30 S   HC   HA32    28     1.09575   108.09108    48.58465
   33    29 S   CT   _C14    36     1.84841    99.89420   165.91329
   34    33 S   HC   _H11    37     1.09433   106.00872   -53.37473
   35    30 S   CO3  _C3_    29     1.52894   114.46897   170.80681
   36    35 S   O2Z  _O31    30     1.26320   116.16658     1.87951
   37    35 S   O2Z  _O32    31     1.26479   114.37913  -177.98792
   38    33 S   CM   _C15    38     1.50162   109.14649    68.32567
   39    38 S   OS   _O40    39     1.38799   117.46671    72.09594
   40    38 S   CMA  _C16    74     1.52098   124.26486  -105.84227
   41    40 S   OM   _O38    75     1.26344   121.07035   162.50028
   42    40 S   OM   _O39    76     1.26306   121.06545   -18.17904
   43    39 S   CO   _C11    40     1.43567   111.43138    57.47480
   44    43 S   HC   _H8_    41     1.09591   108.02560  -177.62471
   45    43 S   CT   _C12    42     1.53602   110.86765   -59.04319
   46    45 S   HC   _H9_    43     1.09569   110.27642   -63.67836
   47    43 S   OS   _O37    50     1.43493   112.68969    62.23561
   48    33 S   CT   _C13    44     1.54286   111.79944  -170.48390
   49    48 S   HC   _H10    45     1.09812   109.21048   165.36079
   50    45 S   OH   _O42    48     1.42884   109.87964   178.86581
   51    50 S   HO   _H16    49     0.97622   107.50304   -43.12458
   52    47 S   CT   _C8_    51     1.42464   114.12039    70.27640
   53    52 S   HC   _H6_    52     1.09881   109.16247   -33.11324
   54    48 S   OH   _O41    46     1.42838   111.70297    48.79214
   55    54 S   HO   _H15    47     0.97221   107.32305    51.60355
   56    52 S   CT   _C9_    53     1.53514   112.82232    86.37962
   57    56 S   HC   _H7_    54     1.09788   107.25640   -68.55552
   58    56 S   OS   _O34    55     1.44421   109.26750   177.91681
   59    56 S   CO3  _C10    71     1.54789   121.12428    48.74011
   60    59 S   O2Z  _O36    72     1.26583   115.48684   155.46154
   61    59 S   O2Z  _O35    73     1.26335   115.98640   -26.89672
   62    58 S   CO   _C5_    56     1.43386   113.87929   -59.33964
   63    62 S   HC   _H3_    57     1.09733   109.52111   -59.23038
   64    62 S   CT   _C6_    58     1.53840   110.59755    61.07815
   65    64 S   HC   _H4_    59     1.09603   109.17256  -178.65943
   66    62 S   OS   _O33    66     1.43440   111.54932  -178.51036
   67    52 S   CT   _C7_    60     1.53580   108.89892  -148.69636
   68    67 S   HC   _H5_    61     1.09597   108.84325    59.68964
   69    64 S   OH   _O44    64     1.42990   109.41213    64.26794
   70    69 S   HO   _H18    65     0.97352   107.99060  -169.23212
   71    66 S   CT   _C4_    67     1.42149   112.08047    66.89927
   72    71 S   HC   _H12    68     1.09335   108.23941   178.66455
   73    71 S   HC   _H13    69     1.09424   110.60330    59.92006
   74    71 S   HC   _H14    70     1.09395   110.79764   -62.57551
   75    67 S   OH   _O43    62     1.42617   110.60748   -57.76035
   76    75 S   HO   _H17    63     0.97206   107.43495   170.96254
  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   9   5   4   3
  14   7   2   1   1  11  11   4   1   1  13   6   9   6  12   5
   3   2   1  15   8   1   1  12   6  11   4   1   1  13   6   9
   6   6   5   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    48    49    54    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    46    48    49    54    55    50    40    41    42  
   38    39    45    48    49    54    40  
   36    37  
   37  
    0  
   39    43    44    45    48    49    54    47    40    41    42  
   43    44    45    46    48    50    47    52    40    41    42  
   41    42    43    48  
   42  
    0  
   44    45    46    48    49    54    50    51    47    52    53    56    67  
   45    46    48    50    47    52  
   46    48    49    54    55    50    51    47    52  
   48    49    54    50    51    47  
   52    53    56    57    58    64    67    68    75    59    48    50  
   49    54    55    50    51  
   54    55    50  
   51    54  
    0  
   53    56    57    58    62    64    65    67    68    75    76    69    59    60    61  
   56    57    58    64    67    68    75    59  
   55  
    0  
   57    58    62    63    64    67    68    75    66    59    60    61  
   58    62    67    59    60    61  
   62    63    64    65    67    69    66    71    59    60    61  
   60    61    62    67  
   61  
    0  
   63    64    65    67    68    75    69    70    66    71    72    73    74  
   64    65    67    69    66    71  
   65    67    68    75    76    69    70    66    71  
   67    68    75    69    70    66  
   71    72    73    74    67    69  
   68    75    76    69    70  
   75    76    69  
   70    75  
    0  
   72    73    74  
   73    74  
   74  
    0  
   76  
    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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   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   317.000  1.510
   33    48   268.000  1.529
   38    39   440.000  1.360
   38    40   465.000  1.376
   39    43   320.000  1.380
   43    44   340.000  1.090
   43    45   250.000  1.527
   43    47   320.000  1.380
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   320.000  1.410
   48    49   340.000  1.090
   48    54   320.000  1.410
   54    55   553.000  0.945
   50    51   553.000  0.945
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    67   268.000  1.529
   56    57   340.000  1.090
   56    58   320.000  1.410
   56    59   317.000  1.522
   58    62   320.000  1.380
   62    63   340.000  1.090
   62    64   250.000  1.527
   62    66   320.000  1.380
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    69   320.000  1.410
   67    68   340.000  1.090
   67    75   320.000  1.410
   75    76   553.000  0.945
   69    70   553.000  0.945
   66    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   656.000  1.250
   59    61   656.000  1.250
   40    41   745.000  1.250
   40    42   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    48    45    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    54    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    43    85.00000  113.97000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    44    35.00000  109.50000
   39    43    45    90.00000  108.56700
   39    43    47    92.60000  111.55000
   43    45    46    45.00000  108.72000
   43    45    48    75.00000  109.43000
   43    45    50    90.00000  111.58700
   43    47    52    60.00000  109.50000
   45    43    44    45.00000  112.01100
   45    48    49    37.50000  110.70000
   45    48    54    50.00000  109.50000
   45    50    51    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    45    46    37.50000  110.70000
   48    54    55    55.00000  108.50000
   54    48    49    35.00000  109.50000
   50    45    46    35.00000  109.50000
   50    45    48    50.00000  109.50000
   47    43    44    35.00000  109.50000
   47    43    45    90.00000  108.56700
   47    52    53    35.00000  109.50000
   47    52    56    50.00000  109.50000
   47    52    67    50.00000  109.50000
   52    56    57    37.50000  110.70000
   52    56    58    50.00000  109.50000
   52    56    59    70.00000  109.69300
   52    67    64    58.35000  112.70000
   52    67    68    37.50000  110.70000
   52    67    75    50.00000  109.50000
   56    52    53    37.50000  110.70000
   56    58    62    60.00000  109.50000
   56    59    60    70.00000  117.00000
   56    59    61    70.00000  117.00000
   58    56    57    35.00000  109.50000
   58    62    63    35.00000  109.50000
   58    62    64    90.00000  108.56700
   58    62    66    92.60000  111.55000
   62    64    65    45.00000  108.72000
   62    64    67    75.00000  109.43000
   62    64    69    90.00000  111.58700
   62    66    71    60.00000  109.50000
   64    62    63    45.00000  112.01100
   64    67    68    37.50000  110.70000
   64    67    75    50.00000  109.50000
   64    69    70    55.00000  108.50000
   67    52    53    37.50000  110.70000
   67    52    56    58.35000  112.70000
   67    64    65    37.50000  110.70000
   67    75    76    55.00000  108.50000
   75    67    68    35.00000  109.50000
   69    64    65    35.00000  109.50000
   69    64    67    50.00000  109.50000
   66    62    63    35.00000  109.50000
   66    62    64    90.00000  108.56700
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    85.00000  109.63000
   61    59    60    80.00000  126.00000
   40    38    39    80.00000  120.01400
   42    40    41    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    54   0.56750  1.0 1.0
   29    33    48    54  -0.07550 -1.0 2.0
   29    33    48    54   0.20000  1.0 3.0
   33    38    39    43   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    54    55  -0.11600  1.0 1.0
   33    48    54    55  -0.09450 -1.0 2.0
   33    48    54    55   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    45   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    54   0.23400  1.0 3.0
   38    33    48    45   0.34400  1.0 1.0
   38    33    48    45   0.09450 -1.0 2.0
   38    33    48    45   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    54   1.05650  1.0 1.0
   38    33    48    54   0.15600 -1.0 2.0
   38    33    48    54   0.53150  1.0 3.0
   38    39    43    44   0.08050  1.0 3.0
   38    39   -43    45  -0.46850  1.0 1.0
   38    39   -43    45   0.09300 -1.0 2.0
   38    39   -43    45  -0.12850  1.0 3.0
   38    39    43    47  -0.48150  1.0 1.0
   38    39    43    47   0.09250 -1.0 2.0
   38    39    43    47  -0.12850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    45    46   0.23400  1.0 3.0
   39    43    45    48   0.62750  1.0 1.0
   39    43    45    48  -0.30950 -1.0 2.0
   39    43    45    48   0.27300  1.0 3.0
   39    43    45    50   3.69350  1.0 1.0
   39    43    45    50  -1.82950 -1.0 2.0
   39    43    47    52  -0.53350  1.0 1.0
   39    43    47    52  -0.78350 -1.0 2.0
   39    43    47    52   0.33750  1.0 3.0
   43    45   -48    33   3.97050  1.0 1.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    54   0.86500  1.0 1.0
   43    45    48    54  -0.17500 -1.0 2.0
   43    45    48    54   0.20800  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   43    47    52    53   0.37050  1.0 3.0
   43    47    52    56   0.06250  1.0 1.0
   43    47    52    56  -0.01100 -1.0 2.0
   43    47    52    56   0.28050  1.0 3.0
   43    47    52    67   0.06250  1.0 1.0
   43    47    52    67  -0.01100 -1.0 2.0
   43    47    52    67   0.28050  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    47    52   0.37050  1.0 3.0
   45    43    47    52   0.06250  1.0 1.0
   45    43    47    52  -0.01100 -1.0 2.0
   45    43    47    52   0.28050  1.0 3.0
   45    48    54    55  -0.11600  1.0 1.0
   45    48    54    55  -0.09450 -1.0 2.0
   45    48    54    55   0.21250  1.0 3.0
   46    45    48    33   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    54   0.23400  1.0 3.0
   46    45    50    51   0.19450  1.0 3.0
   48    33   -38    39   0.09700  1.0 1.0
   48    33   -38    39   0.15600 -1.0 2.0
   48    33   -38    39  -0.50800  1.0 3.0
   48    33    38    40   0.09850  1.0 1.0
   48    33    38    40   0.15250 -1.0 2.0
   48    33    38    40  -0.50650  1.0 3.0
   48    45    50    51  -0.11600  1.0 1.0
   48    45    50    51  -0.09450 -1.0 2.0
   48    45    50    51   0.21250  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   50    45    48    33   0.86500  1.0 1.0
   50    45    48    33  -0.17500 -1.0 2.0
   50    45    48    33   0.20800  1.0 3.0
   50    45    48    49   0.23400  1.0 3.0
   50    45    48    54   3.75450  1.0 1.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    48   0.62750  1.0 1.0
   47    43    45    48  -0.30950 -1.0 2.0
   47    43    45    48   0.27300  1.0 3.0
   47    43    45    50   3.69350  1.0 1.0
   47    43    45    50  -1.82950 -1.0 2.0
   47    52    56    57   0.23400  1.0 3.0
   47    52    56    58   1.11900  1.0 1.0
   47    52    56    58  -1.16350 -1.0 2.0
   47    52    56    58  -0.34150  1.0 3.0
   47    52    56    59  -3.35100  1.0 1.0
   47    52    56    59  -0.37050 -1.0 2.0
   47    52    56    59   0.22400  1.0 3.0
   47    52    67    64   0.62750  1.0 1.0
   47    52    67    64  -0.30950 -1.0 2.0
   47    52    67    64   0.27300  1.0 3.0
   47    52    67    68   0.23400  1.0 3.0
   47    52    67    75   3.69350  1.0 1.0
   47    52    67    75  -1.82950 -1.0 2.0
   52    56    58    62   0.06250  1.0 1.0
   52    56    58    62  -0.01100 -1.0 2.0
   52    56    58    62   0.28050  1.0 3.0
   52    56    59    60   0.41150 -1.0 2.0
   52    56    59    61   0.41150 -1.0 2.0
   52    67    75    76  -0.11600  1.0 1.0
   52    67    75    76  -0.09450 -1.0 2.0
   52    67    75    76   0.21250  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.23400  1.0 3.0
   53    52    56    59  -0.11250  1.0 3.0
   53    52    67    64   0.15000  1.0 3.0
   53    52    67    68   0.15000  1.0 3.0
   53    52    67    75   0.23400  1.0 3.0
   56    52    67    64   0.56750  1.0 1.0
   56    52    67    64  -0.07550 -1.0 2.0
   56    52    67    64   0.20000  1.0 3.0
   56    52    67    68   0.15000  1.0 3.0
   56    52    67    75   0.86500  1.0 1.0
   56    52    67    75  -0.17500 -1.0 2.0
   56    52    67    75   0.20800  1.0 3.0
   56    58    62    63   0.37050  1.0 3.0
   56    58   -62    64   0.06250  1.0 1.0
   56    58   -62    64  -0.01100 -1.0 2.0
   56    58   -62    64   0.28050  1.0 3.0
   56    58    62    66  -0.81800  1.0 1.0
   57    56    58    62   0.37050  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.30150 -1.0 2.0
   58    56    59    61   0.30150 -1.0 2.0
   58    62    64    65   0.23400  1.0 3.0
   58    62    64    67   0.62750  1.0 1.0
   58    62    64    67  -0.30950 -1.0 2.0
   58    62    64    67   0.27300  1.0 3.0
   58    62    64    69   3.69350  1.0 1.0
   58    62    64    69  -1.82950 -1.0 2.0
   58    62    66    71  -0.53350  1.0 1.0
   58    62    66    71  -0.78350 -1.0 2.0
   58    62    66    71   0.33750  1.0 3.0
   62    64   -67    52   3.97050  1.0 1.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    75   0.86500  1.0 1.0
   62    64    67    75  -0.17500 -1.0 2.0
   62    64    67    75   0.20800  1.0 3.0
   62    64    69    70  -0.11600  1.0 1.0
   62    64    69    70  -0.09450 -1.0 2.0
   62    64    69    70   0.21250  1.0 3.0
   62    66    71    72   0.37050  1.0 3.0
   62    66    71    73   0.37050  1.0 3.0
   62    66    71    74   0.37050  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    69   0.23400  1.0 3.0
   63    62    66    71   0.37050  1.0 3.0
   64    62    66    71   0.06250  1.0 1.0
   64    62    66    71  -0.01100 -1.0 2.0
   64    62    66    71   0.28050  1.0 3.0
   64    67    75    76  -0.11600  1.0 1.0
   64    67    75    76  -0.09450 -1.0 2.0
   64    67    75    76   0.21250  1.0 3.0
   65    64    67    52   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    75   0.23400  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   67    52    56    57   0.15000  1.0 3.0
   67    52   -56    58   0.62750  1.0 1.0
   67    52   -56    58  -0.30950 -1.0 2.0
   67    52   -56    58   0.27300  1.0 3.0
   67    52    56    59  -1.63150  1.0 1.0
   67    52    56    59  -0.43550 -1.0 2.0
   67    52    56    59   0.24500  1.0 3.0
   67    64    69    70  -0.11600  1.0 1.0
   67    64    69    70  -0.09450 -1.0 2.0
   67    64    69    70   0.21250  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   69    64    67    52   0.86500  1.0 1.0
   69    64    67    52  -0.17500 -1.0 2.0
   69    64    67    52   0.20800  1.0 3.0
   69    64    67    68   0.23400  1.0 3.0
   69    64    67    75   3.75450  1.0 1.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    67   0.62750  1.0 1.0
   66    62    64    67  -0.30950 -1.0 2.0
   66    62    64    67   0.27300  1.0 3.0
   66    62    64    69   3.69350  1.0 1.0
   66    62    64    69  -1.82950 -1.0 2.0
   59    56    58    62  -1.11000  1.0 1.0
   59    56    58    62   0.50250 -1.0 2.0
   59    56    58    62   0.47450  1.0 3.0
   40    38    39    43  -2.26850  1.0 1.0
   40    38    39    43   3.39050 -1.0 2.0
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
   33    39    38    40   1.10000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
