* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    146    234     438
    1     0 S   NP   _N1_     1    29.39757    92.95896   -23.52281
    2     1 S   H    _HN1     2     1.02774   105.90206   -86.97493
    3     1 S   H    _H1_     3     1.02956    90.22532    22.22070
    4     1 S   H    _H2_     4     1.02823    19.17089   174.07391
    5     1 S   CT   _CA1     5     1.50148   126.86721   138.14944
    6     5 S   HC   _HA1     6     1.09577   105.17252    71.06799
    7     5 S   CO3  _C1_     7     1.53796   112.44197   -49.00664
    8     7 S   O2Z  _O11     8     1.26367   115.00828   -41.15884
    9     7 S   O2Z  _O12     9     1.26249   114.94605   137.83884
   10     5 S   CT   _CB1    10     1.53075   107.37053  -171.06103
   11    10 S   HC   HB11    11     1.09825   109.25667   -50.28565
   12    10 S   HC   HB12    12     1.09822   110.45228    66.26873
   13    10 S   CT   _CG1    13     1.52981   112.70028  -171.38468
   14    13 S   HC   HG11    14     1.09593   110.42318   -65.59601
   15    13 S   HC   HG12    15     1.09659   109.99566    53.66195
   16    13 S   C    _CD1    16     1.51784   112.30315   173.90275
   17    16 S   O    _OE1    17     1.22744   123.31804    -1.52777
   18    16 S   N    _N2_    18     1.38696   111.65040   178.80679
   19    18 S   H    _HN2    19     1.01585   119.04563     1.61228
   20    18 S   CT1  _CA2    20     1.46044   123.23648   179.58978
   21    20 S   HC   _HA2    21     1.09573   109.24774    -2.90959
   22    20 S   C    _C2_    22     1.53454   108.96832  -117.98320
   23    22 S   O    _O2_    23     1.23059   122.19213  -149.77684
   24    20 S   CT   _CB2    32     1.53398   111.84038   119.35179
   25    24 S   HC   HB21    33     1.09657   109.58565    65.12189
   26    24 S   HC   HB22    34     1.09576   110.77405  -177.64416
   27    22 S   N    _N3_    24     1.38317   113.68457    37.80130
   28    27 S   H    _HN3    25     1.01620   119.52569    -3.71731
   29    24 S   S    _SG2    35     1.82892   114.85598   -54.59657
   30    27 S   CT   _CA3    26     1.45282   123.13424   176.87050
   31    30 S   HC   HA31    27     1.09553   107.55674   -63.10514
   32    30 S   HC   HA32    28     1.09559   107.91282    53.29673
   33    29 S   CT   _C18    36     1.82777   100.02432   -65.59738
   34    33 S   HC   _H3_    37     1.09450   107.02710   -60.71445
   35    33 S   HC   _H4_    38     1.09271   108.93631    57.36326
   36    30 S   CO3  _C3_    29     1.52934   114.14182   175.27014
   37    36 S   O2Z  _O31    30     1.26365   116.06716    -0.35277
   38    36 S   O2Z  _O32    31     1.26430   114.40715   179.69353
   39    33 S   CT   _C10    39     1.52748   111.18031   178.96184
   40    39 S   HC   _H28    40     1.09928   110.34131    42.56805
   41    39 S   CO4  _C5_    41     1.50904   114.05713   -77.44976
   42    41 S   O    _O17    42     1.22038   126.88585    32.96287
   43    41 S   OS   _O18    43     1.36460   109.21670  -149.43321
   44    43 S   CT   _C14    44     1.44311   110.79511     4.16245
   45    44 S   HC   _H32    45     1.09748   106.94266   -98.35840
   46    44 S   CT   _C9_    46     1.53175   106.24000   145.13668
   47    46 S   HC   _H26    47     1.09965   107.53805    61.60266
   48    46 S   HC   _H27    48     1.09661   109.49583   -50.18047
   49    39 S   CT   _C12    65     1.54067   115.46041   165.20101
   50    49 S   HC   _H30    66     1.09575   107.18327   -86.18816
   51    46 S   CT   _C13    49     1.53612   116.27678  -176.53496
   52    51 S   HC   _H31    50     1.09978   106.83040   -67.30701
   53    51 S   CT   _C11    51     1.53682   112.71486    49.18222
   54    53 S   HC   _H29    52     1.09996   104.77765   -80.98043
   55    51 S   CT   _C16    71     1.53183   109.94147   178.67367
   56    55 S   HC   _H33    72     1.09244   112.30888   -67.83931
   57    55 S   HC   _H34    73     1.09454   111.19157   170.66596
   58    55 S   HC   _H35    74     1.09584   110.50191    52.21568
   59    53 S   CT   _C7_    53     1.53210   117.23688   165.42438
   60    59 S   HC   _H22    54     1.09475   112.27142    63.28653
   61    59 S   HC   _H23    55     1.09490   112.24602   -58.31028
   62    59 S   CT   _C6_    56     1.52683   103.19392  -176.66446
   63    62 S   HC   _H20    57     1.09383   111.27988   -87.13974
   64    62 S   HC   _H21    58     1.09214   111.71176   148.44989
   65    62 S   CO4  _C4_    59     1.51398   102.82505    29.21489
   66    65 S   O    _O16    60     1.22545   122.80768   173.74884
   67    53 S   CT   _C15    61     1.55374   117.92268    39.06670
   68    67 S   CT   _C8_    62     1.55375   115.09343   -69.27601
   69    68 S   HC   _H24    63     1.09488   108.21237  -131.17729
   70    68 S   HC   _H25    64     1.09838   109.89691   114.61459
   71    67 S   CT   _C17    67     1.53973   115.51415    59.69857
   72    71 S   HC   _H36    68     1.09288   112.09172   -70.71114
   73    71 S   HC   _H37    69     1.09723   110.46312   170.00826
   74    71 S   HC   _H38    70     1.09473   112.64464    51.19708
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   9   4  15   8  21   9   5   2   1   1  10   6   5   7   4   3
   9   3   7   6   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    68    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    67    68    69    70    49    50  
   41    42    43    44    68    49    50  
   42    43    44    45    46    68    49    50  
   43    44    49  
   44    45    46    47    48    51    68    49    50  
   45    46    47    48    51    52    53    67    68    69    70    49    50    55  
   46    47    48    51    68    49    50  
   47    48    51    52    53    54    59    67    68    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    71    51    53    65    67    68    69    70  
   67    68    69    70  
   52    53    54    59    60    61    62    65    67    68    71    55    56    57    58  
   53    54    59    67    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    68    69    70    71    72    73    74    55    56    57    58  
   59    60    61    62    65    67    68    71    55  
   56    57    58    59    67  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68    71  
   61    62    63    64    65    67  
   62    63    64    65    67  
   63    64    65    66    67    68    71  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    73    74  
   67    68    71  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    67   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   268.000  1.529
   67    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    49   268.000  1.529
   49    50   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    68    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    68    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    58.35000  112.70000
   51    53    67    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    58.35000  112.70000
   53    67    65    63.00000  111.10000
   53    67    68    58.35000  112.70000
   53    67    71    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    63.00000  111.10000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    80.00000  120.40000
   62    65    67    70.00000  116.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    63.00000  111.10000
   65    67    71    63.00000  111.10000
   67    53    54    37.50000  110.70000
   67    53    59    58.35000  112.70000
   67    65    66    80.00000  120.40000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    49    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   68    49    50    37.50000  110.70000
   70    68    69    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    70    37.50000  110.70000
   71    67    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    68   0.56750  1.0 1.0
   33    39    49    68  -0.07550 -1.0 2.0
   33    39    49    68   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    68   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    68  -0.95700  1.0 1.0
   41    39    49    68  -0.18200 -1.0 2.0
   41    39    49    68   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    68   0.62750  1.0 1.0
   43    44    49    68  -0.30950 -1.0 2.0
   43    44    49    68   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    68   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    68   0.56750  1.0 1.0
   46    44    49    68  -0.07550 -1.0 2.0
   46    44    49    68   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.56750  1.0 1.0
   46    51    53    59  -0.07550 -1.0 2.0
   46    51    53    59   0.20000  1.0 3.0
   46    51    53    67   0.56750  1.0 1.0
   46    51    53    67  -0.07550 -1.0 2.0
   46    51    53    67   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    61   0.15000  1.0 3.0
   51    53    59    62   0.56750  1.0 1.0
   51    53    59    62  -0.07550 -1.0 2.0
   51    53    59    62   0.20000  1.0 3.0
   51    53    67    65  -0.95700  1.0 1.0
   51    53    67    65  -0.18200 -1.0 2.0
   51    53    67    65   0.29450  1.0 3.0
   51    53    67    68   0.56750  1.0 1.0
   51    53    67    68  -0.07550 -1.0 2.0
   51    53    67    68   0.20000  1.0 3.0
   51    53    67    71   0.56750  1.0 1.0
   51    53    67    71  -0.07550 -1.0 2.0
   51    53    67    71   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    67   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    62    63   0.15000  1.0 3.0
   53    59    62    64   0.15000  1.0 3.0
   53    59   -62    65  -0.95700  1.0 1.0
   53    59   -62    65  -0.18200 -1.0 2.0
   53    59   -62    65   0.29450  1.0 3.0
   53    67    68    69   0.15000  1.0 3.0
   53    67    68    70   0.15000  1.0 3.0
   53    67    68    49   0.56750  1.0 1.0
   53    67    68    49  -0.07550 -1.0 2.0
   53    67    68    49   0.20000  1.0 3.0
   53    67    71    72   0.15000  1.0 3.0
   53    67    71    73   0.15000  1.0 3.0
   53    67    71    74   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    67    65  -0.11250  1.0 3.0
   54    53    67    68   0.15000  1.0 3.0
   54    53    67    71   0.15000  1.0 3.0
   59    53   -67    65  -0.95700  1.0 1.0
   59    53   -67    65  -0.18200 -1.0 2.0
   59    53   -67    65   0.29450  1.0 3.0
   59    53    67    68   0.56750  1.0 1.0
   59    53    67    68  -0.07550 -1.0 2.0
   59    53    67    68   0.20000  1.0 3.0
   59    53    67    71   0.56750  1.0 1.0
   59    53    67    71  -0.07550 -1.0 2.0
   59    53    67    71   0.20000  1.0 3.0
   59    62    65    66   0.30150 -1.0 2.0
   59    62   -65    67   0.60050  1.0 1.0
   59    62   -65    67   0.05600 -1.0 2.0
   59    62   -65    67   0.26150  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65  -0.11250  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65  -0.11250  1.0 3.0
   62    65   -67    53   0.60050  1.0 1.0
   62    65   -67    53   0.05600 -1.0 2.0
   62    65   -67    53   0.26150  1.0 3.0
   62    65    67    68   0.60050  1.0 1.0
   62    65    67    68   0.05600 -1.0 2.0
   62    65    67    68   0.26150  1.0 3.0
   62    65    67    71   0.60050  1.0 1.0
   62    65    67    71   0.05600 -1.0 2.0
   62    65    67    71   0.26150  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    68    69  -0.11250  1.0 3.0
   65    67    68    70  -0.11250  1.0 3.0
   65    67    68    49  -0.95700  1.0 1.0
   65    67    68    49  -0.18200 -1.0 2.0
   65    67    68    49   0.29450  1.0 3.0
   65    67    71    72  -0.11250  1.0 3.0
   65    67    71    73  -0.11250  1.0 3.0
   65    67    71    74  -0.11250  1.0 3.0
   66    65    67    53   0.30150 -1.0 2.0
   66    65    67    68   0.30150 -1.0 2.0
   66    65    67    71   0.30150 -1.0 2.0
   67    53    59    60   0.15000  1.0 3.0
   67    53    59    61   0.15000  1.0 3.0
   67    53   -59    62   0.56750  1.0 1.0
   67    53   -59    62  -0.07550 -1.0 2.0
   67    53   -59    62   0.20000  1.0 3.0
   67    68    49    39   0.56750  1.0 1.0
   67    68    49    39  -0.07550 -1.0 2.0
   67    68    49    39   0.20000  1.0 3.0
   67    68    49    44   0.56750  1.0 1.0
   67    68    49    44  -0.07550 -1.0 2.0
   67    68    49    44   0.20000  1.0 3.0
   67    68    49    50   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    68    49    39   0.15000  1.0 3.0
   69    68    49    44   0.15000  1.0 3.0
   69    68    49    50   0.15000  1.0 3.0
   70    68    49    39   0.15000  1.0 3.0
   70    68    49    44   0.15000  1.0 3.0
   70    68    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   71    67    68    69   0.15000  1.0 3.0
   71    67    68    70   0.15000  1.0 3.0
   71    67    68    49   0.56750  1.0 1.0
   71    67    68    49  -0.07550 -1.0 2.0
   71    67    68    49   0.20000  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.56750  1.0 1.0
   55    51    53    59  -0.07550 -1.0 2.0
   55    51    53    59   0.20000  1.0 3.0
   55    51    53    67   0.56750  1.0 1.0
   55    51    53    67  -0.07550 -1.0 2.0
   55    51    53    67   0.20000  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   62    67    65    66  10.50000 -1.0 2.0
END
