* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    234     434
    1     0 S   NP   _N1_     1    28.84307    96.45962   -24.73695
    2     1 S   H    _HN1     2     1.02796   115.67881  -100.76757
    3     1 S   H    _H1_     3     1.02946    71.57192     1.26378
    4     1 S   H    _H2_     4     1.02827    35.78607   174.07133
    5     1 S   CT   _CA1     5     1.50129   128.38487   103.11257
    6     5 S   HC   _HA1     6     1.09574   105.15149    95.50988
    7     5 S   CO3  _C1_     7     1.53761   112.45518   -24.68177
    8     7 S   O2Z  _O11     8     1.26377   115.00436   -42.75194
    9     7 S   O2Z  _O12     9     1.26234   114.93777   136.21559
   10     5 S   CT   _CB1    10     1.53053   107.39905  -146.54025
   11    10 S   HC   HB11    11     1.09844   109.30610   -49.36379
   12    10 S   HC   HB12    12     1.09809   110.48884    67.22030
   13    10 S   CT   _CG1    13     1.53031   112.65614  -170.29190
   14    13 S   HC   HG11    14     1.09566   110.75329   -67.89444
   15    13 S   HC   HG12    15     1.09669   109.68039    51.36001
   16    13 S   C    _CD1    16     1.51819   111.91143   171.84272
   17    16 S   O    _OE1    17     1.22765   123.14186    13.69405
   18    16 S   N    _N2_    18     1.38645   111.89313  -166.26615
   19    18 S   H    _HN2    19     1.01572   119.00806     0.77808
   20    18 S   CT1  _CA2    20     1.46226   123.36009   176.22779
   21    20 S   HC   _HA2    21     1.09739   109.24430     8.48471
   22    20 S   C    _C2_    22     1.53715   108.89864  -107.01771
   23    22 S   O    _O2_    23     1.23090   122.22568  -148.97709
   24    20 S   CT   _CB2    32     1.53334   111.71877   130.45998
   25    24 S   HC   HB21    33     1.09592   110.11456    56.71850
   26    24 S   HC   HB22    34     1.09431   110.00250   175.67849
   27    22 S   N    _N3_    24     1.38308   113.91119    38.51831
   28    27 S   H    _HN3    25     1.01534   119.62166    -3.13482
   29    24 S   S    _SG2    35     1.82689   111.61297   -64.00311
   30    27 S   CT   _CA3    26     1.45284   123.32064   177.25177
   31    30 S   HC   HA31    27     1.09546   107.49974   -65.20859
   32    30 S   HC   HA32    28     1.09554   108.01894    51.26291
   33    29 S   CT   _C14    36     1.86139    99.49975  -179.35684
   34    33 S   HC   _H3_    37     1.10032   105.83548   -29.15241
   35    30 S   CO3  _C3_    29     1.52986   114.01676   173.26789
   36    35 S   O2Z  _O31    30     1.26389   116.07177    -0.59182
   37    35 S   O2Z  _O32    31     1.26423   114.42313   179.47214
   38    33 S   CT   _C9_    38     1.53926   107.23168    85.07599
   39    38 S   HC   _H27    39     1.09532   110.75317    58.67381
   40    38 S   HC   _H28    40     1.09764   109.29044   -58.05606
   41    38 S   CT   _C13    41     1.53207   112.33043  -177.52124
   42    41 S   HC   _H32    42     1.09702   109.10164  -179.74056
   43    41 S   CT   _C15    43     1.55178   112.61873   -57.77307
   44    41 S   OH   _O19    73     1.42978   108.54134    64.59774
   45    44 S   HO   _H40    74     0.97222   107.67988    57.34152
   46    43 S   CT   _C8_    44     1.57000   109.64865   173.76269
   47    46 S   HC   _H25    45     1.09732   110.19198    63.60021
   48    46 S   HC   _H26    46     1.09759   109.80145   -52.79214
   49    43 S   CT   _C11    58     1.58637   109.30891    54.44028
   50    49 S   HC   _H30    59     1.10535   105.16054    63.18109
   51    43 S   CT   _C17    69     1.55140   108.07187   -70.65168
   52    51 S   HC   _H34    70     1.08848   113.47685    53.68325
   53    51 S   HC   _H35    71     1.09738   110.19393   -64.62248
   54    51 S   HC   _H36    72     1.09218   113.20896   176.17736
   55    46 S   CT   _C7_    47     1.53784   113.92327  -173.41462
   56    55 S   HC   _H23    48     1.09641   109.27833   175.01850
   57    55 S   HC   _H24    49     1.09575   110.71895   -67.89869
   58    33 S   CT   _C16    60     1.57872   114.51591  -148.44377
   59    58 S   OM   _O16    61     1.32952   106.44068    71.23759
   60    55 S   CT   _C10    50     1.51806   108.84609    54.61395
   61    60 S   HC   _H29    51     1.10090   108.37603    62.13389
   62    58 S   CT   _C18    62     1.54539   113.42637   -45.23015
   63    62 S   HC   _H37    63     1.09907   112.74260    70.29653
   64    62 S   HC   _H38    64     1.09095   112.29359   -49.19347
   65    62 S   HC   _H39    65     1.09620   112.41257  -170.54572
   66    60 S   CM   _C4_    52     1.48294   121.95524  -174.15125
   67    66 S   CO4  _C5_    53     1.48710   106.02351   154.45512
   68    67 S   O    _O17    54     1.21720   127.05384   165.42193
   69    66 S   CM   _C6_    66     1.33379   130.71103   -23.84547
   70    69 S   HC   _H21    67     1.08452   121.02313    -1.11311
   71    69 S   HC   _H22    68     1.08507   121.45506   179.01682
   72    67 S   OS   _O18    55     1.37287   106.60677   -12.98168
   73    60 S   CT   _C12    56     1.52022   111.32109   -58.80440
   74    73 S   HC   _H31    57     1.09743   111.63533   -57.27942
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  13   6   5  16   6  21   4   1  16   7   6
  19   8   6   2   1   1  10   5   4   9   5  10   6   4   2   1
   1   8   7   3   4   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    49    58    59    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    73    49    50    58    59    62    63    64    65    44  
   38    39    40    41    49    58    59    62  
   36    37  
   37  
    0  
   39    40    41    42    43    46    49    58    59    62    51    44    45  
   40    41    42    43    58    44  
   41    42    43    58    44  
   42    43    46    47    48    55    73    49    50    58    51    52    53    54    44    45  
   43    46    49    51    44    45  
   46    47    48    55    56    57    60    72    73    74    49    50    58    59    62    51    52    53    54    44    45  
   45    46    49    51  
    0  
   47    48    55    56    57    60    61    66    73    49    50    58    51    52    53    54  
   48    55    56    57    60    49    51  
   55    56    57    60    49    51  
   50    58    59    62    63    64    65    51    52    53    54    55    60    61    66    67    72    73    74  
   58    59    62    51    60    72    73    74  
   52    53    54    55    58    73  
   53    54  
   54  
    0  
   56    57    60    61    66    67    72    73    74    69  
   57    60    61    66    73  
   60    61    66    73  
   59    62    63    64    65    60    72    73    74  
   62    63    64    65    73  
   61    66    67    68    72    73    74    69    70    71  
   66    67    72    73    74    69  
   63    64    65    73  
   64    65  
   65  
    0  
   67    68    72    73    74    69    70    71  
   68    72    73    74    69    70    71  
   72    73    69  
   70    71    72    73  
   71  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   268.000  1.529
   43    49   268.000  1.529
   43    51   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    73   268.000  1.529
   66    67   320.000  1.462
   66    69   549.000  1.340
   67    68   570.000  1.229
   67    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    49   268.000  1.529
   49    50   340.000  1.090
   49    58   268.000  1.529
   58    59   570.000  1.307
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   69    70   340.000  1.080
   69    71   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    49    58.35000  112.70000
   33    58    59    50.00000  109.50000
   33    58    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    44    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    49    58.35000  112.70000
   41    43    51    58.35000  112.70000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    49    73    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    58    58.35000  112.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    66    70.00000  112.02700
   55    60    73    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    67    65.00000  116.34900
   60    66    69    70.00000  124.00000
   60    73    72    50.00000  109.50000
   60    73    74    37.50000  110.70000
   60    73    49    58.35000  112.70000
   66    60    61    35.00000  109.50000
   66    67    68    80.00000  123.72100
   66    67    72    90.00000  111.29400
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   67    72    73    83.00000  116.90000
   72    67    68    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    49    50.00000  109.50000
   73    60    61    37.50000  110.70000
   73    60    66    70.00000  112.02700
   73    49    50    37.50000  110.70000
   73    49    58    58.35000  112.70000
   49    43    46    58.35000  112.70000
   49    73    74    37.50000  110.70000
   49    58    59    50.00000  109.50000
   49    58    62    58.35000  112.70000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    49    50    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   62    58    59    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   69    66    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   51    43    46    58.35000  112.70000
   51    43    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    49   0.44750  1.0 1.0
   29    33    58    49  -0.17800 -1.0 2.0
   29    33    58    49   0.20200  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    62   0.44750  1.0 1.0
   29    33    58    62  -0.17800 -1.0 2.0
   29    33    58    62   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    58    62    63   0.15000  1.0 3.0
   33    58    62    64   0.15000  1.0 3.0
   33    58    62    65   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    58    49   0.15000  1.0 3.0
   34    33    58    59   0.23400  1.0 3.0
   34    33    58    62   0.15000  1.0 3.0
   38    33    58    49   0.56750  1.0 1.0
   38    33    58    49  -0.07550 -1.0 2.0
   38    33    58    49   0.20000  1.0 3.0
   38    33    58    59   0.62750  1.0 1.0
   38    33    58    59  -0.30950 -1.0 2.0
   38    33    58    59   0.27300  1.0 3.0
   38    33    58    62   0.56750  1.0 1.0
   38    33    58    62  -0.07550 -1.0 2.0
   38    33    58    62   0.20000  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41   -43    49   0.56750  1.0 1.0
   38    41   -43    49  -0.07550 -1.0 2.0
   38    41   -43    49   0.20000  1.0 3.0
   38    41    43    51   0.56750  1.0 1.0
   38    41    43    51  -0.07550 -1.0 2.0
   38    41    43    51   0.20000  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    55   0.56750  1.0 1.0
   41    43    46    55  -0.07550 -1.0 2.0
   41    43    46    55   0.20000  1.0 3.0
   41    43    49    73   0.56750  1.0 1.0
   41    43    49    73  -0.07550 -1.0 2.0
   41    43    49    73   0.20000  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    58   0.56750  1.0 1.0
   41    43    49    58  -0.07550 -1.0 2.0
   41    43    49    58   0.20000  1.0 3.0
   41    43    51    52   0.15000  1.0 3.0
   41    43    51    53   0.15000  1.0 3.0
   41    43    51    54   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    43    51   0.15000  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    57   0.15000  1.0 3.0
   43    46    55    60   0.56750  1.0 1.0
   43    46    55    60  -0.07550 -1.0 2.0
   43    46    55    60   0.20000  1.0 3.0
   43    49   -58    33   0.56750  1.0 1.0
   43    49   -58    33  -0.07550 -1.0 2.0
   43    49   -58    33   0.20000  1.0 3.0
   43    49    58    59   0.62750  1.0 1.0
   43    49    58    59  -0.30950 -1.0 2.0
   43    49    58    59   0.27300  1.0 3.0
   43    49    58    62   0.56750  1.0 1.0
   43    49    58    62  -0.07550 -1.0 2.0
   43    49    58    62   0.20000  1.0 3.0
   46    43    49    73   0.56750  1.0 1.0
   46    43    49    73  -0.07550 -1.0 2.0
   46    43    49    73   0.20000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    58   0.56750  1.0 1.0
   46    43    49    58  -0.07550 -1.0 2.0
   46    43    49    58   0.20000  1.0 3.0
   46    43    51    52   0.15000  1.0 3.0
   46    43    51    53   0.15000  1.0 3.0
   46    43    51    54   0.15000  1.0 3.0
   46    55    60    61   0.15000  1.0 3.0
   46    55    60    66   0.34400  1.0 1.0
   46    55    60    66   0.09450 -1.0 2.0
   46    55    60    66   0.11100  1.0 3.0
   46    55   -60    73   0.56750  1.0 1.0
   46    55   -60    73  -0.07550 -1.0 2.0
   46    55   -60    73   0.20000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   47    46    55    60   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    57   0.15000  1.0 3.0
   48    46    55    60   0.15000  1.0 3.0
   55    60    66    67   0.09700  1.0 1.0
   55    60    66    67   0.15600 -1.0 2.0
   55    60    66    67  -0.50800  1.0 3.0
   55    60    66    69   0.09850  1.0 1.0
   55    60    66    69   0.15250 -1.0 2.0
   55    60    66    69  -0.50650  1.0 3.0
   55    60    73    72   0.62750  1.0 1.0
   55    60    73    72  -0.30950 -1.0 2.0
   55    60    73    72   0.27300  1.0 3.0
   55    60    73    74   0.15000  1.0 3.0
   55    60    73    49   0.56750  1.0 1.0
   55    60    73    49  -0.07550 -1.0 2.0
   55    60    73    49   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    66   0.15000  1.0 3.0
   56    55    60    73   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    66   0.15000  1.0 3.0
   57    55    60    73   0.15000  1.0 3.0
   60    66    67    68  -0.64400  1.0 1.0
   60    66    67    68   0.26850 -1.0 2.0
   60    66   -67    72  -0.15000  1.0 1.0
   60    66   -67    72   0.89550 -1.0 2.0
   60    66   -67    72  -0.06900  1.0 3.0
   60    66    69    70   7.00000 -1.0 2.0
   60    66    69    71   7.00000 -1.0 2.0
   60    73   -49    43   0.56750  1.0 1.0
   60    73   -49    43  -0.07550 -1.0 2.0
   60    73   -49    43   0.20000  1.0 3.0
   60    73    49    50   0.15000  1.0 3.0
   60    73    49    58   0.56750  1.0 1.0
   60    73    49    58  -0.07550 -1.0 2.0
   60    73    49    58   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    69   0.00000  1.0 1.0
   61    60    73    72   0.23400  1.0 3.0
   61    60    73    74   0.15000  1.0 3.0
   61    60    73    49   0.15000  1.0 3.0
   66    60   -73    72   0.61850  1.0 1.0
   66    60   -73    72  -0.22750 -1.0 2.0
   66    60   -73    72   0.15300  1.0 3.0
   66    60    73    74   0.15000  1.0 3.0
   66    60    73    49   0.34400  1.0 1.0
   66    60    73    49   0.09450 -1.0 2.0
   66    60    73    49   0.11100  1.0 3.0
   66    67   -72    73   2.00000 -1.0 2.0
   67    66    69    70   7.00000 -1.0 2.0
   67    66    69    71   7.00000 -1.0 2.0
   67    72   -73    60  -0.25900  1.0 1.0
   67    72   -73    60  -0.47000 -1.0 2.0
   67    72   -73    60   0.11750  1.0 3.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    49  -0.25900  1.0 1.0
   67    72    73    49  -0.47000 -1.0 2.0
   67    72    73    49   0.11750  1.0 3.0
   68    67    72    73   3.00000 -1.0 2.0
   72    73    49    43   0.62750  1.0 1.0
   72    73    49    43  -0.30950 -1.0 2.0
   72    73    49    43   0.27300  1.0 3.0
   72    73    49    50   0.23400  1.0 3.0
   72    73    49    58   0.62750  1.0 1.0
   72    73    49    58  -0.30950 -1.0 2.0
   72    73    49    58   0.27300  1.0 3.0
   73    60   -66    67   0.09700  1.0 1.0
   73    60   -66    67   0.15600 -1.0 2.0
   73    60   -66    67  -0.50800  1.0 3.0
   73    60    66    69   0.09850  1.0 1.0
   73    60    66    69   0.15250 -1.0 2.0
   73    60    66    69  -0.50650  1.0 3.0
   73    49    58    33   0.56750  1.0 1.0
   73    49    58    33  -0.07550 -1.0 2.0
   73    49    58    33   0.20000  1.0 3.0
   73    49    58    59   0.62750  1.0 1.0
   73    49    58    59  -0.30950 -1.0 2.0
   73    49    58    59   0.27300  1.0 3.0
   73    49    58    62   0.56750  1.0 1.0
   73    49    58    62  -0.07550 -1.0 2.0
   73    49    58    62   0.20000  1.0 3.0
   74    73    49    43   0.15000  1.0 3.0
   74    73    49    50   0.15000  1.0 3.0
   74    73    49    58   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43   -46    55   0.56750  1.0 1.0
   49    43   -46    55  -0.07550 -1.0 2.0
   49    43   -46    55   0.20000  1.0 3.0
   49    43    51    52   0.15000  1.0 3.0
   49    43    51    53   0.15000  1.0 3.0
   49    43    51    54   0.15000  1.0 3.0
   49    58    62    63   0.15000  1.0 3.0
   49    58    62    64   0.15000  1.0 3.0
   49    58    62    65   0.15000  1.0 3.0
   50    49    58    33   0.15000  1.0 3.0
   50    49    58    59   0.23400  1.0 3.0
   50    49    58    62   0.15000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   59    58    62    63   0.23400  1.0 3.0
   59    58    62    64   0.23400  1.0 3.0
   59    58    62    65   0.23400  1.0 3.0
   69    66    67    68   1.00000 -1.0 2.0
   69    66    67    72  -0.56150  1.0 1.0
   69    66    67    72   2.19150 -1.0 2.0
   51    43    46    47   0.15000  1.0 3.0
   51    43    46    48   0.15000  1.0 3.0
   51    43    46    55   0.56750  1.0 1.0
   51    43    46    55  -0.07550 -1.0 2.0
   51    43    46    55   0.20000  1.0 3.0
   51    43    49    73   0.56750  1.0 1.0
   51    43    49    73  -0.07550 -1.0 2.0
   51    43    49    73   0.20000  1.0 3.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    58   0.56750  1.0 1.0
   51    43    49    58  -0.07550 -1.0 2.0
   51    43    49    58   0.20000  1.0 3.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    49   0.86500  1.0 1.0
   44    41    43    49  -0.17500 -1.0 2.0
   44    41    43    49   0.20800  1.0 3.0
   44    41    43    51   0.86500  1.0 1.0
   44    41    43    51  -0.17500 -1.0 2.0
   44    41    43    51   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   60    67    66    69   1.10000 -1.0 2.0
   66    72    67    68  10.50000 -1.0 2.0
   70    71    69    66   1.10000 -1.0 2.0
END
