* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    132    210     391
    1     0 S   NP   _N1_     1    28.81925    96.44891   -20.54326
    2     1 S   H    _HN1     2     1.02956    80.62274    35.47551
    3     1 S   H    _H1_     3     1.02825    43.32042   162.86913
    4     1 S   H    _H2_     4     1.02773    84.96193   -74.14334
    5     1 S   CT   _CA1     5     1.50181   153.74699   152.88016
    6     5 S   HC   _HA1     6     1.09579   105.11802    66.45791
    7     5 S   CO3  _C1_     7     1.53781   112.52556   -53.44479
    8     7 S   O2Z  _O11     8     1.26363   115.01236   -37.54349
    9     7 S   O2Z  _O12     9     1.26254   114.99443   141.43795
   10     5 S   CT   _CB1    10     1.53098   107.34292  -175.70358
   11    10 S   HC   HB11    11     1.09816   109.15065   -49.83088
   12    10 S   HC   HB12    12     1.09817   110.46041    66.71571
   13    10 S   CT   _CG1    13     1.52955   112.75488  -170.98642
   14    13 S   HC   HG11    14     1.09507   110.35362   -67.00113
   15    13 S   HC   HG12    15     1.09669   110.00075    52.09190
   16    13 S   C    _CD1    16     1.51845   112.49853   172.10663
   17    16 S   O    _OE1    17     1.22717   123.32494    -5.10154
   18    16 S   N    _N2_    18     1.38612   111.55281   175.91280
   19    18 S   H    _HN2    19     1.01584   118.87324    -0.23739
   20    18 S   CT1  _CA2    20     1.46293   123.55863   177.57691
   21    20 S   HC   _HA2    21     1.09738   109.46594    -8.04069
   22    20 S   C    _C2_    22     1.53439   107.99559  -123.39715
   23    22 S   O    _O2_    23     1.23017   122.51516  -146.22483
   24    20 S   CT   _CB2    32     1.53389   111.39999   114.36109
   25    24 S   HC   HB21    33     1.09258   109.29148    54.30986
   26    24 S   HC   HB22    34     1.09410   110.25317   172.57535
   27    22 S   N    _N3_    24     1.38412   113.40091    41.17194
   28    27 S   H    _HN3    25     1.01639   119.47981    -3.62704
   29    24 S   S    _SG2    35     1.82791   110.88524   -68.34760
   30    27 S   CT   _CA3    26     1.45282   123.12329   176.98897
   31    30 S   HC   HA31    27     1.09552   107.53490   -63.47426
   32    30 S   HC   HA32    28     1.09558   107.93319    52.92750
   33    29 S   CT   _C17    36     1.87711   102.38521   156.37533
   34    30 S   CO3  _C3_    29     1.52933   114.14357   174.89170
   35    34 S   O2Z  _O31    30     1.26364   116.05884    -1.10429
   36    34 S   O2Z  _O32    31     1.26430   114.40985   178.95507
   37    33 S   CM   _C11    37     1.53492   106.16124   175.65197
   38    37 S   CMA  _C10    38     1.37156   124.25682    85.87682
   39    38 S   OM   _O17    39     1.26895   126.19233   178.09074
   40    37 S   CT   _C15    54     1.53153   114.58188   -94.23501
   41    40 S   HC   _H30    55     1.09697   108.63025   139.03184
   42    38 S   CA   _C7_    40     1.52883   114.80319    -2.79883
   43    40 S   OS   _O20    56     1.43207   110.59948    25.69965
   44    40 S   CT   _C18    68     1.53129   114.16659  -101.29014
   45    44 S   HC   _H32    69     1.09432   112.25080    53.68405
   46    44 S   HC   _H33    70     1.09427   111.50274   -66.82776
   47    44 S   HC   _H34    71     1.09545   110.28980   172.87451
   48    42 S   CA   _C8_    41     1.41144   120.00077    22.71618
   49    43 S   CT   _C16    57     1.42849   115.11608   -66.29938
   50    49 S   HC   _H31    58     1.09685   108.51474   -74.44260
   51    48 S   CA   _C5_    42     1.40511   121.33315   177.58111
   52    51 S   HA   _H24    43     1.08702   120.39616  -179.21565
   53    33 S   CT   _C13    51     1.54218   111.31993   -66.55632
   54    53 S   HC   _H26    52     1.09952   110.32026   176.20548
   55    53 S   HC   _H27    53     1.09479   111.46131    58.99251
   56    33 S   CT   _C14    59     1.54476   111.48683    54.92100
   57    56 S   HC   _H28    60     1.09650   111.99051   -58.81551
   58    56 S   HC   _H29    61     1.10050   107.71055  -171.74517
   59    49 S   CT   _C19    62     1.53058   107.71208   168.40205
   60    59 S   HC   _H35    63     1.09621   109.96289   -48.90004
   61    59 S   HC   _H36    64     1.09696   109.91232  -167.69289
   62    51 S   CA   _C4_    44     1.38976   120.45805     1.50194
   63    62 S   HA   _H23    45     1.08596   120.25208   179.33618
   64    59 S   CO3  _C12    65     1.53470   115.83776    72.32785
   65    64 S   O2Z  _O18    66     1.26590   114.00039  -167.58262
   66    64 S   O2Z  _O19    67     1.26118   116.89504    13.35769
   67    62 S   CA   _C6_    46     1.38842   119.61179    -0.07133
   68    67 S   HA   _H25    47     1.08683   119.63882   179.26698
   69    42 S   CA   _C9_    48     1.41503   123.48649  -157.86385
   70    69 S   OH   _O21    49     1.37307   122.92255     2.13662
   71    70 S   HO   _H37    50     0.97554   107.15949    -4.53281
  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  12   5   4   3
  19   2   1   1  19  13   4  12   6  12  13   4   2   1   1  11
  11   7   9   4   7   2   1   6   2   1   5   4   3   5   3   2
   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    56    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    53    54    55    40    49    56    57    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    48    51    53    54    55    40    41    43    49    50    56    57    58    59    44  
   35    36  
   36  
    0  
   38    39    42    48    69    53    54    55    40    41    43    49    56    57    58    44    45    46    47  
   39    42    48    51    67    69    70    53    40    41    43    56    44  
   42    48    69    40  
   41    43    49    50    56    59    44    45    46    47    42    53  
   43    49    44    45    46    47  
   48    51    52    62    67    68    69    70    71    53    54    55  
   49    50    56    57    58    59    60    61    64    44    45    46    47  
   45    46    47    49  
   46    47  
   47  
    0  
   51    52    62    63    67    69    70    53    54    55    56  
   50    56    57    58    59    60    61    64    65    66    53  
   56    57    58    59    60    61    64  
   52    62    63    67    68    69    53    54    55  
   62    63    67    53  
   54    55    56    57    58    62    69  
   55    56  
   56  
   57    58    59    60    61    64  
   58    59  
   59  
   60    61    64    65    66  
   61    64    65    66  
   64    65    66  
   63    67    68    69    70  
   67    68    69  
   65    66  
   66  
    0  
   68    69    70    71  
   69    70  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    56   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    42   320.000  1.460
   42    48   469.000  1.400
   42    69   469.000  1.400
   48    51   469.000  1.400
   48    53   317.000  1.510
   51    52   367.000  1.080
   51    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   450.000  1.364
   70    71   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   40    41   340.000  1.090
   40    43   320.000  1.410
   40    44   268.000  1.529
   43    49   320.000  1.410
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    53    48    70.00000  112.17500
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    56    49    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   37    38    39    65.00000  137.10300
   37    38    42    60.00000  123.20500
   37    40    41    35.00000  109.50000
   37    40    43    85.00000  110.90400
   37    40    44    70.00000  112.02700
   38    42    48    60.00000  120.93500
   38    42    69    60.00000  120.93500
   42    38    39    85.00000  114.86500
   42    48    51    63.00000  120.00000
   42    48    53    70.00000  120.00000
   42    69    67    63.00000  120.00000
   42    69    70    70.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    62    63.00000  120.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   51    62    63    35.00000  120.00000
   51    62    67    63.00000  120.00000
   62    51    52    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    69    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    69    70    70.00000  120.00000
   69    42    48    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  113.00000
   53    33    37    70.00000  112.02700
   53    48    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    43    49    60.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   43    40    41    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    56    50.00000  109.50000
   43    49    59    50.00000  109.50000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    64    70.00000  109.69300
   56    33    37    70.00000  112.02700
   56    33    53    58.35000  112.70000
   56    49    50    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    56    58.35000  112.70000
   59    64    65    70.00000  117.00000
   59    64    66    70.00000  117.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   66    64    65    80.00000  126.00000
   44    40    41    37.50000  110.70000
   44    40    43    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    43   0.09700  1.0 1.0
   33    37    40    43   0.15600 -1.0 2.0
   33    37    40    43  -0.50800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33    53    48   0.21200  1.0 1.0
   37    33    53    48   0.16900 -1.0 2.0
   37    33    53    48  -1.15100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    56    49   0.34400  1.0 1.0
   37    33    56    49   0.09450 -1.0 2.0
   37    33    56    49   0.11100  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    38   -42    48   0.15800  1.0 1.0
   37    38   -42    48   1.85350 -1.0 2.0
   37    38   -42    48  -0.48700  1.0 3.0
   37    38    42    69   0.15800  1.0 1.0
   37    38    42    69   1.85350 -1.0 2.0
   37    38    42    69  -0.48700  1.0 3.0
   37    40   -43    49  -0.77900  1.0 1.0
   37    40   -43    49  -0.36900 -1.0 2.0
   37    40   -43    49   0.40400  1.0 3.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40    44    47   0.15000  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    43   0.39000  1.0 1.0
   38    37    40    43  -0.05800 -1.0 2.0
   38    37    40    43  -0.55150  1.0 3.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    42    48    51   3.62500 -1.0 2.0
   38    42    48    53   3.62500 -1.0 2.0
   38    42    69    67   3.62500 -1.0 2.0
   38    42    69    70   3.62500 -1.0 2.0
   39    38    42    48  -0.01750  1.0 1.0
   39    38    42    48  -0.32000 -1.0 2.0
   39    38    42    48   0.00600  1.0 3.0
   39    38    42    69  -0.01750  1.0 1.0
   39    38    42    69  -0.32000 -1.0 2.0
   39    38    42    69   0.00600  1.0 3.0
   42    48    51    52   3.62500 -1.0 2.0
   42    48    51    62   3.62500 -1.0 2.0
   42    48   -53    33   0.04150 -1.0 2.0
   42    48    53    54   0.00000  1.0 1.0
   42    48    53    55   0.00000  1.0 1.0
   42    69    70    71   0.84100 -1.0 2.0
   48    42    69    67   3.62500 -1.0 2.0
   48    42    69    70   3.62500 -1.0 2.0
   48    51    62    63   3.62500 -1.0 2.0
   48    51   -62    67   3.62500 -1.0 2.0
   51    48    53    33   0.04150 -1.0 2.0
   51    48    53    54   0.00000  1.0 1.0
   51    48    53    55   0.00000  1.0 1.0
   51    62    67    68   3.62500 -1.0 2.0
   51    62    67    69   3.62500 -1.0 2.0
   52    51    62    63   3.62500 -1.0 2.0
   52    51    62    67   3.62500 -1.0 2.0
   62    67   -69    42   3.62500 -1.0 2.0
   62    67    69    70   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    69   3.62500 -1.0 2.0
   67    69    70    71   0.84100 -1.0 2.0
   68    67    69    42   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   69    42   -48    51   3.62500 -1.0 2.0
   69    42    48    53   3.62500 -1.0 2.0
   53    33   -37    38   0.09850  1.0 1.0
   53    33   -37    38   0.15250 -1.0 2.0
   53    33   -37    38  -0.50650  1.0 3.0
   53    33    37    40   0.46850  1.0 1.0
   53    33    37    40   0.08550 -1.0 2.0
   53    33    37    40   0.09800  1.0 3.0
   53    33    56    49   0.56750  1.0 1.0
   53    33    56    49  -0.07550 -1.0 2.0
   53    33    56    49   0.20000  1.0 3.0
   53    33    56    57   0.15000  1.0 3.0
   53    33    56    58   0.15000  1.0 3.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    62   3.62500 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    49    50   0.37050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    49    59   0.06250  1.0 1.0
   40    43    49    59  -0.01100 -1.0 2.0
   40    43    49    59   0.28050  1.0 3.0
   41    40    43    49   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    47   0.23400  1.0 3.0
   43    49   -56    33   0.62750  1.0 1.0
   43    49   -56    33  -0.30950 -1.0 2.0
   43    49   -56    33   0.27300  1.0 3.0
   43    49    56    57   0.23400  1.0 3.0
   43    49    56    58   0.23400  1.0 3.0
   43    49    59    60   0.23400  1.0 3.0
   43    49    59    61   0.23400  1.0 3.0
   43    49    59    64  -3.35100  1.0 1.0
   43    49    59    64  -0.37050 -1.0 2.0
   43    49    59    64   0.22400  1.0 3.0
   49    59    64    65   0.41150 -1.0 2.0
   49    59    64    66   0.41150 -1.0 2.0
   50    49    56    33   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    61   0.15000  1.0 3.0
   50    49    59    64  -0.11250  1.0 3.0
   56    33    37    38   0.09850  1.0 1.0
   56    33    37    38   0.15250 -1.0 2.0
   56    33    37    38  -0.50650  1.0 3.0
   56    33   -37    40   0.46850  1.0 1.0
   56    33   -37    40   0.08550 -1.0 2.0
   56    33   -37    40   0.09800  1.0 3.0
   56    33    53    48  -0.03700  1.0 1.0
   56    33    53    48   0.37200 -1.0 2.0
   56    33    53    48  -0.47300  1.0 3.0
   56    33    53    54   0.15000  1.0 3.0
   56    33    53    55   0.15000  1.0 3.0
   56    49    59    60   0.15000  1.0 3.0
   56    49    59    61   0.15000  1.0 3.0
   56    49    59    64  -1.63150  1.0 1.0
   56    49    59    64  -0.43550 -1.0 2.0
   56    49    59    64   0.24500  1.0 3.0
   59    49    56    33   0.56750  1.0 1.0
   59    49    56    33  -0.07550 -1.0 2.0
   59    49    56    33   0.20000  1.0 3.0
   59    49    56    57   0.15000  1.0 3.0
   59    49    56    58   0.15000  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
   44    40    43    49   0.06250  1.0 1.0
   44    40    43    49  -0.01100 -1.0 2.0
   44    40    43    49   0.28050  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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   48    69    42    38   4.00000 -1.0 2.0
   51    53    48    42   4.00000 -1.0 2.0
   62    52    51    48   1.10000 -1.0 2.0
   67    63    62    51   1.10000 -1.0 2.0
   69    68    67    62   1.10000 -1.0 2.0
   67    70    69    42   4.00000 -1.0 2.0
   65    59    64    66  10.50000 -1.0 2.0
END
