* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    230     437
    1     0 S   NP   _N1_     1    28.53612    97.36870   -21.27898
    2     1 S   H    _HN1     2     1.02778    89.33973   -80.10627
    3     1 S   H    _H1_     3     1.02961    72.82869    29.35689
    4     1 S   H    _H2_     4     1.02835    47.00691   164.33590
    5     1 S   CT   _CA1     5     1.50146   154.56544   130.76153
    6     5 S   HC   _HA1     6     1.09579   105.17570    84.70211
    7     5 S   CO3  _C1_     7     1.53761   112.47331   -35.36699
    8     7 S   O2Z  _O11     8     1.26355   114.98723   -41.25607
    9     7 S   O2Z  _O12     9     1.26245   114.92278   137.80373
   10     5 S   CT   _CB1    10     1.53092   107.40647  -157.45004
   11    10 S   HC   HB11    11     1.09826   109.17512   -50.99254
   12    10 S   HC   HB12    12     1.09815   110.45751    65.51447
   13    10 S   CT   _CG1    13     1.53022   112.75813  -172.12740
   14    13 S   HC   HG11    14     1.09593   110.46052   -66.73757
   15    13 S   HC   HG12    15     1.09665   109.92333    52.48304
   16    13 S   C    _CD1    16     1.51842   112.35075   172.71894
   17    16 S   O    _OE1    17     1.22722   123.26514     0.59545
   18    16 S   N    _N2_    18     1.38652   111.65702  -178.95714
   19    18 S   H    _HN2    19     1.01573   118.99078     0.81397
   20    18 S   CT1  _CA2    20     1.46194   123.39601   178.13701
   21    20 S   HC   _HA2    21     1.09745   109.43791    -1.37402
   22    20 S   C    _C2_    22     1.53580   108.41211  -116.86151
   23    22 S   O    _O2_    23     1.23043   122.15625  -145.22034
   24    20 S   CT   _CB2    32     1.53585   111.71095   120.76079
   25    24 S   HC   HB21    33     1.09364   109.37803    56.06607
   26    24 S   HC   HB22    34     1.09109   109.12830   174.84436
   27    22 S   N    _N3_    24     1.38476   113.55641    42.07461
   28    27 S   H    _HN3    25     1.01494   118.98046    -0.66411
   29    24 S   S    _SG2    35     1.82539   111.22415   -65.49644
   30    27 S   CT   _CA3    26     1.45472   123.61719   175.36316
   31    30 S   HC   HA31    27     1.09517   109.47544    19.69186
   32    30 S   HC   HA32    28     1.09514   107.06123   136.71850
   33    29 S   CT   _C15    36     1.87808   102.86594   179.89721
   34    30 S   CO3  _C3_    29     1.52919   112.94160  -103.95998
   35    34 S   O2Z  _O31    30     1.26423   115.33686   -46.26386
   36    34 S   O2Z  _O32    31     1.26348   115.02810   134.62580
   37    33 S   CM   _C13    37     1.55138   107.09015   179.21890
   38    33 S   CT   _C10    48     1.58615   116.80152    66.94663
   39    33 S   CT   _C16    73     1.54499   106.41064   -62.24376
   40    39 S   HC   _H18    74     1.09415   112.22360    70.74963
   41    39 S   HC   _H19    75     1.09686   112.30321   -49.64851
   42    39 S   HC   _H20    76     1.09163   112.66198  -169.32945
   43    37 S   CT   _C12    38     1.53191   110.21571  -122.52697
   44    43 S   HC   _H5_    39     1.09415   111.82799  -144.90968
   45    43 S   CT   _C11    49     1.54189   101.46730   -28.24342
   46    45 S   HC   _H4_    50     1.09972   109.71743   160.42173
   47    38 S   CT   _C18    56     1.53762   115.07009   -94.35091
   48    47 S   HC   _H24    57     1.09339   112.79814   -54.55725
   49    47 S   HC   _H25    58     1.09646   110.68418  -174.13495
   50    47 S   HC   _H26    59     1.09238   111.83466    66.52404
   51    37 S   CMA  _C14    70     1.35411   125.16706    65.68167
   52    51 S   OM   _O33    71     1.25907   133.03535   174.09747
   53    51 S   HC   _H17    72     1.09089   112.63358    -5.58693
   54    43 S   CT   _C7_    40     1.55864   114.73119    88.65866
   55    54 S   HC   _H3_    41     1.10069   106.40500  -170.19121
   56    45 S   CT   _C17    51     1.53566   111.99654   -82.52537
   57    56 S   HC   _H21    52     1.09245   111.63300   168.22401
   58    56 S   HC   _H22    53     1.09091   113.12579    44.33087
   59    54 S   CT   _C8_    42     1.54328   111.23678   -54.98067
   60    59 S   HC   _H13    43     1.09739   109.67088  -157.83088
   61    59 S   HC   _H14    44     1.09406   109.48128    87.18960
   62    56 S   OH   _O34    54     1.42829   108.49935   -74.12471
   63    62 S   HO   _H23    55     0.97233   106.94955   177.40188
   64    54 S   CT   _C5_    60     1.55974   114.06131    72.93572
   65    64 S   HC   _H9_    61     1.09628   109.16254   -57.85439
   66    59 S   CT   _C9_    45     1.53502   114.32531   -36.58397
   67    66 S   HC   _H15    46     1.09566   109.21917   164.46211
   68    66 S   HC   _H16    47     1.09970   107.34915   -82.45906
   69    64 S   CT   _C4_    62     1.53481   111.82956    61.90685
   70    69 S   HC   _H6_    63     1.09543   111.07251    58.25932
   71    69 S   HC   _H7_    64     1.09202   112.22277   -62.72946
   72    69 S   HC   _H8_    65     1.09570   110.73102   178.02345
   73    64 S   CT   _C6_    66     1.53601   112.38249  -176.52267
   74    73 S   HC   _H10    67     1.09525   111.19319   -55.40341
   75    73 S   HC   _H11    68     1.09567   110.86069  -175.49554
   76    73 S   HC   _H12    69     1.09420   111.54164    65.69264
  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
  23   2   1   1  19  24   8   2   1   1  21   8  18   7   8   3
   2   1   3   1   1  18   8   5   3   2   9   5   4   1   1  10
   8   2   1   1   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    66    38    45    47    51    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    54    59    66    67    68    38    45    46    56    47    48    49    50    51    52    53    39    40    41    42  
   35    36  
   36  
    0  
   43    44    54    55    59    66    38    45    46    56    47    64    51    52    53    39    40    41    42  
   45    46    56    57    58    62    47    48    49    50    51    39    40    41    42    43    44    54    59    60    61    66    67    68  
   40    41    42    43    45    47    51    66  
   41    42  
   42  
    0  
   44    54    55    59    60    61    66    45    46    56    57    58    62    47    64    65    69    73    51    52    53  
   54    55    59    45    46    56    64    51  
   46    56    57    58    62    63    47    48    49    50    64    51    54    55    59    66    67    68  
   56    57    58    62    47    54    66  
   48    49    50    56    59    66    67    68  
   49    50    66  
   50    66  
   66  
   52    53    54  
   53  
    0  
   55    59    60    61    66    67    68    56    64    65    69    70    71    72    73    74    75    76  
   59    60    61    66    64    65    69    73  
   57    58    62    63    66  
   58    62    63  
   62    63  
   60    61    66    67    68    64    65    69    73  
   61    66    67    68    64  
   66    67    68    64  
   63  
    0  
   65    69    70    71    72    73    74    75    76    66  
   69    70    71    72    73    74    75    76  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.145000   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  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    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    38   268.000  1.529
   33    39   268.000  1.529
   37    43   317.000  1.510
   37    51   465.000  1.376
   43    44   340.000  1.090
   43    54   268.000  1.529
   43    45   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    64   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    38   268.000  1.529
   38    45   268.000  1.529
   38    47   268.000  1.529
   45    46   340.000  1.090
   45    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   320.000  1.410
   62    63   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   51    52   745.000  1.250
   51    53   335.000  1.111
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    43    65.00000  117.92700
   33    37    51    70.00000  124.00000
   33    38    66    58.35000  112.70000
   33    38    45    58.35000  112.70000
   33    38    47    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    35.00000  109.50000
   37    43    54    70.00000  112.02700
   37    43    45    70.00000  112.02700
   37    51    52    65.00000  137.10300
   37    51    53    45.00000  105.30000
   43    54    55    37.50000  110.70000
   43    54    59    58.35000  112.70000
   43    54    64    58.35000  112.70000
   43    45    38    58.35000  112.70000
   43    45    46    37.50000  110.70000
   43    45    56    58.35000  112.70000
   54    43    44    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    66    58.35000  112.70000
   54    64    65    37.50000  110.70000
   54    64    69    58.35000  112.70000
   54    64    73    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    38    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    38    45    58.35000  112.70000
   66    38    47    58.35000  112.70000
   68    66    67    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    66    67    37.50000  110.70000
   38    66    68    37.50000  110.70000
   38    45    46    37.50000  110.70000
   38    45    56    58.35000  112.70000
   38    47    48    37.50000  110.70000
   38    47    49    37.50000  110.70000
   38    47    50    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    43    54    58.35000  112.70000
   45    56    57    37.50000  110.70000
   45    56    58    37.50000  110.70000
   45    56    62    50.00000  109.50000
   56    45    46    37.50000  110.70000
   56    62    63    55.00000  108.50000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   47    38    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    59    58.35000  112.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   64    73    74    37.50000  110.70000
   64    73    75    37.50000  110.70000
   64    73    76    37.50000  110.70000
   69    64    65    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    64    65    37.50000  110.70000
   73    64    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   51    37    43    70.00000  124.00000
   53    51    52    50.00000  124.16400
   39    33    37    70.00000  112.02700
   39    33    38    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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    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    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    37    51   0.42700  1.0 1.0
   29    33    37    51  -0.70350 -1.0 2.0
   29    33    37    51  -0.43150  1.0 3.0
   29    33    38    66   0.44750  1.0 1.0
   29    33    38    66  -0.17800 -1.0 2.0
   29    33    38    66   0.20200  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    38    47   0.44750  1.0 1.0
   29    33    38    47  -0.17800 -1.0 2.0
   29    33    38    47   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    54   0.46850  1.0 1.0
   33    37    43    54   0.08550 -1.0 2.0
   33    37    43    54   0.09800  1.0 3.0
   33    37   -43    45   0.46850  1.0 1.0
   33    37   -43    45   0.08550 -1.0 2.0
   33    37   -43    45   0.09800  1.0 3.0
   33    37    51    52   7.00000 -1.0 2.0
   33    37    51    53   7.00000 -1.0 2.0
   33    38   -45    43   0.56750  1.0 1.0
   33    38   -45    43  -0.07550 -1.0 2.0
   33    38   -45    43   0.20000  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    56   0.56750  1.0 1.0
   33    38    45    56  -0.07550 -1.0 2.0
   33    38    45    56   0.20000  1.0 3.0
   33    38    47    48   0.15000  1.0 3.0
   33    38    47    49   0.15000  1.0 3.0
   33    38    47    50   0.15000  1.0 3.0
   37    33    38    66   0.34400  1.0 1.0
   37    33    38    66   0.09450 -1.0 2.0
   37    33    38    66   0.11100  1.0 3.0
   37    33   -38    45   0.34400  1.0 1.0
   37    33   -38    45   0.09450 -1.0 2.0
   37    33   -38    45   0.11100  1.0 3.0
   37    33    38    47   0.34400  1.0 1.0
   37    33    38    47   0.09450 -1.0 2.0
   37    33    38    47   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    54    55   0.15000  1.0 3.0
   37    43    54    59   0.34400  1.0 1.0
   37    43    54    59   0.09450 -1.0 2.0
   37    43    54    59   0.11100  1.0 3.0
   37    43    54    64   0.34400  1.0 1.0
   37    43    54    64   0.09450 -1.0 2.0
   37    43    54    64   0.11100  1.0 3.0
   37    43   -45    38   0.34400  1.0 1.0
   37    43   -45    38   0.09450 -1.0 2.0
   37    43   -45    38   0.11100  1.0 3.0
   37    43    45    46   0.15000  1.0 3.0
   37    43    45    56   0.34400  1.0 1.0
   37    43    45    56   0.09450 -1.0 2.0
   37    43    45    56   0.11100  1.0 3.0
   43    37    51    52   7.00000 -1.0 2.0
   43    37    51    53   7.00000 -1.0 2.0
   43    54    59    60   0.15000  1.0 3.0
   43    54    59    61   0.15000  1.0 3.0
   43    54    59    66   0.56750  1.0 1.0
   43    54    59    66  -0.07550 -1.0 2.0
   43    54    59    66   0.20000  1.0 3.0
   43    54    64    65   0.15000  1.0 3.0
   43    54    64    69   0.56750  1.0 1.0
   43    54    64    69  -0.07550 -1.0 2.0
   43    54    64    69   0.20000  1.0 3.0
   43    54    64    73   0.56750  1.0 1.0
   43    54    64    73  -0.07550 -1.0 2.0
   43    54    64    73   0.20000  1.0 3.0
   43    45    56    57   0.15000  1.0 3.0
   43    45    56    58   0.15000  1.0 3.0
   43    45    56    62   0.86500  1.0 1.0
   43    45    56    62  -0.17500 -1.0 2.0
   43    45    56    62   0.20800  1.0 3.0
   44    43    54    55   0.15000  1.0 3.0
   44    43    54    59   0.15000  1.0 3.0
   44    43    54    64   0.15000  1.0 3.0
   44    43    45    38   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    56   0.15000  1.0 3.0
   54    43    45    38   0.56750  1.0 1.0
   54    43    45    38  -0.07550 -1.0 2.0
   54    43    45    38   0.20000  1.0 3.0
   54    43    45    46   0.15000  1.0 3.0
   54    43    45    56   0.56750  1.0 1.0
   54    43    45    56  -0.07550 -1.0 2.0
   54    43    45    56   0.20000  1.0 3.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59   -66    38   0.56750  1.0 1.0
   54    59   -66    38  -0.07550 -1.0 2.0
   54    59   -66    38   0.20000  1.0 3.0
   54    64    69    70   0.15000  1.0 3.0
   54    64    69    71   0.15000  1.0 3.0
   54    64    69    72   0.15000  1.0 3.0
   54    64    73    74   0.15000  1.0 3.0
   54    64    73    75   0.15000  1.0 3.0
   54    64    73    76   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    69   0.15000  1.0 3.0
   55    54    64    73   0.15000  1.0 3.0
   59    54    64    65   0.15000  1.0 3.0
   59    54    64    69   0.56750  1.0 1.0
   59    54    64    69  -0.07550 -1.0 2.0
   59    54    64    69   0.20000  1.0 3.0
   59    54    64    73   0.56750  1.0 1.0
   59    54    64    73  -0.07550 -1.0 2.0
   59    54    64    73   0.20000  1.0 3.0
   59    66    38    33   0.56750  1.0 1.0
   59    66    38    33  -0.07550 -1.0 2.0
   59    66    38    33   0.20000  1.0 3.0
   59    66    38    45   0.56750  1.0 1.0
   59    66    38    45  -0.07550 -1.0 2.0
   59    66    38    45   0.20000  1.0 3.0
   59    66    38    47   0.56750  1.0 1.0
   59    66    38    47  -0.07550 -1.0 2.0
   59    66    38    47   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    38   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    38   0.15000  1.0 3.0
   66    38   -45    43   0.56750  1.0 1.0
   66    38   -45    43  -0.07550 -1.0 2.0
   66    38   -45    43   0.20000  1.0 3.0
   66    38    45    46   0.15000  1.0 3.0
   66    38    45    56   0.56750  1.0 1.0
   66    38    45    56  -0.07550 -1.0 2.0
   66    38    45    56   0.20000  1.0 3.0
   66    38    47    48   0.15000  1.0 3.0
   66    38    47    49   0.15000  1.0 3.0
   66    38    47    50   0.15000  1.0 3.0
   67    66    38    33   0.15000  1.0 3.0
   67    66    38    45   0.15000  1.0 3.0
   67    66    38    47   0.15000  1.0 3.0
   68    66    38    33   0.15000  1.0 3.0
   68    66    38    45   0.15000  1.0 3.0
   68    66    38    47   0.15000  1.0 3.0
   38    33   -37    43   0.46850  1.0 1.0
   38    33   -37    43   0.08550 -1.0 2.0
   38    33   -37    43   0.09800  1.0 3.0
   38    33    37    51   0.09850  1.0 1.0
   38    33    37    51   0.15250 -1.0 2.0
   38    33    37    51  -0.50650  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    45    56    57   0.15000  1.0 3.0
   38    45    56    58   0.15000  1.0 3.0
   38    45    56    62   0.86500  1.0 1.0
   38    45    56    62  -0.17500 -1.0 2.0
   38    45    56    62   0.20800  1.0 3.0
   45    43    54    55   0.15000  1.0 3.0
   45    43   -54    59   0.56750  1.0 1.0
   45    43   -54    59  -0.07550 -1.0 2.0
   45    43   -54    59   0.20000  1.0 3.0
   45    43    54    64   0.56750  1.0 1.0
   45    43    54    64  -0.07550 -1.0 2.0
   45    43    54    64   0.20000  1.0 3.0
   45    38    47    48   0.15000  1.0 3.0
   45    38    47    49   0.15000  1.0 3.0
   45    38    47    50   0.15000  1.0 3.0
   45    56    62    63  -0.11600  1.0 1.0
   45    56    62    63  -0.09450 -1.0 2.0
   45    56    62    63   0.21250  1.0 3.0
   46    45    56    57   0.15000  1.0 3.0
   46    45    56    58   0.15000  1.0 3.0
   46    45    56    62   0.23400  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   58    56    62    63   0.19450  1.0 3.0
   47    38    45    43   0.56750  1.0 1.0
   47    38    45    43  -0.07550 -1.0 2.0
   47    38    45    43   0.20000  1.0 3.0
   47    38    45    46   0.15000  1.0 3.0
   47    38    45    56   0.56750  1.0 1.0
   47    38    45    56  -0.07550 -1.0 2.0
   47    38    45    56   0.20000  1.0 3.0
   64    54    59    60   0.15000  1.0 3.0
   64    54    59    61   0.15000  1.0 3.0
   64    54    59    66   0.56750  1.0 1.0
   64    54    59    66  -0.07550 -1.0 2.0
   64    54    59    66   0.20000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    75   0.15000  1.0 3.0
   65    64    73    76   0.15000  1.0 3.0
   69    64    73    74   0.15000  1.0 3.0
   69    64    73    75   0.15000  1.0 3.0
   69    64    73    76   0.15000  1.0 3.0
   73    64    69    70   0.15000  1.0 3.0
   73    64    69    71   0.15000  1.0 3.0
   73    64    69    72   0.15000  1.0 3.0
   51    37    43    44   0.00000  1.0 1.0
   51    37    43    54   0.09850  1.0 1.0
   51    37    43    54   0.15250 -1.0 2.0
   51    37    43    54  -0.50650  1.0 3.0
   51    37    43    45   0.09850  1.0 1.0
   51    37    43    45   0.15250 -1.0 2.0
   51    37    43    45  -0.50650  1.0 3.0
   39    33    37    43   0.46850  1.0 1.0
   39    33    37    43   0.08550 -1.0 2.0
   39    33    37    43   0.09800  1.0 3.0
   39    33    37    51   0.09850  1.0 1.0
   39    33    37    51   0.15250 -1.0 2.0
   39    33    37    51  -0.50650  1.0 3.0
   39    33    38    66   0.56750  1.0 1.0
   39    33    38    66  -0.07550 -1.0 2.0
   39    33    38    66   0.20000  1.0 3.0
   39    33    38    45   0.56750  1.0 1.0
   39    33    38    45  -0.07550 -1.0 2.0
   39    33    38    45   0.20000  1.0 3.0
   39    33    38    47   0.56750  1.0 1.0
   39    33    38    47  -0.07550 -1.0 2.0
   39    33    38    47   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    51   1.10000 -1.0 2.0
   52    53    51    37   1.10000 -1.0 2.0
END
