* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    148    237     447
    1     0 S   NP   _N1_     1    28.59613    94.36539   -22.74033
    2     1 S   H    _HN1     2     1.02767   102.18846   -67.82798
    3     1 S   H    _H1_     3     1.02970    83.59546    39.62983
    4     1 S   H    _H2_     4     1.02822    27.96234  -173.34427
    5     1 S   CT   _CA1     5     1.50188   135.16267   152.04619
    6     5 S   HC   _HA1     6     1.09589   105.12915    75.54850
    7     5 S   CO3  _C1_     7     1.53763   112.48967   -44.26623
    8     7 S   O2Z  _O11     8     1.26346   114.99788   -39.58014
    9     7 S   O2Z  _O12     9     1.26261   114.91938   139.31636
   10     5 S   CT   _CB1    10     1.53088   107.31862  -166.80577
   11    10 S   HC   HB11    11     1.09816   108.96436   -52.17235
   12    10 S   HC   HB12    12     1.09816   110.47588    64.22379
   13    10 S   CT   _CG1    13     1.53004   112.88266  -173.48889
   14    13 S   HC   HG11    14     1.09605   110.23969   -68.10998
   15    13 S   HC   HG12    15     1.09661   110.07884    51.04827
   16    13 S   C    _CD1    16     1.51877   112.44525   171.00947
   17    16 S   O    _OE1    17     1.22730   123.25872    -7.12816
   18    16 S   N    _N2_    18     1.38647   111.64849   174.04086
   19    18 S   H    _HN2    19     1.01571   119.00965    -0.21850
   20    18 S   CT1  _CA2    20     1.46208   123.41638   178.71793
   21    20 S   HC   _HA2    21     1.09741   109.37091    -7.29463
   22    20 S   C    _C2_    22     1.53534   108.38012  -122.75827
   23    22 S   O    _O2_    23     1.23029   122.24608  -146.54364
   24    20 S   CT   _CB2    32     1.53431   111.62252   114.79795
   25    24 S   HC   HB21    33     1.09566   109.89828    55.23291
   26    24 S   HC   HB22    34     1.09430   109.82469   174.35406
   27    22 S   N    _N3_    24     1.38517   113.45983    40.88534
   28    27 S   H    _HN3    25     1.01516   118.87019    -0.80186
   29    24 S   S    _SG2    35     1.82721   111.55566   -66.02771
   30    27 S   CT   _CA3    26     1.45463   123.60195   175.28387
   31    30 S   HC   HA31    27     1.09513   109.39338    20.99030
   32    30 S   HC   HA32    28     1.09500   107.06866   138.00291
   33    29 S   CT   _C10    36     1.85329   100.55295   166.96907
   34    33 S   HC   _H3_    37     1.09882   104.05271   -47.02423
   35    30 S   CO3  _C3_    29     1.52917   113.06292  -102.61511
   36    35 S   O2Z  _O31    30     1.26407   115.39126   -44.76795
   37    35 S   O2Z  _O32    31     1.26354   114.99836   136.17742
   38    33 S   CM   _C4_    38     1.54184   114.24072  -160.19052
   39    33 S   CT   _C12    54     1.57344   107.68241    67.83569
   40    39 S   HC   _H31    55     1.09455   109.11994    20.81847
   41    38 S   CT   _C9_    39     1.52385   113.77874  -167.10662
   42    41 S   HC   _H28    40     1.09702   109.82098  -141.98530
   43    39 S   OH   _O19    56     1.44167   106.42954   -93.92366
   44    43 S   HO   _H42    57     0.97385   107.02779   -71.69484
   45    38 S   CMA  _C5_    74     1.35929   129.36377    17.54198
   46    45 S   OM   _O16    75     1.25836   135.26874    -0.72118
   47    45 S   HC   _H21    76     1.09333   111.72171   178.65172
   48    41 S   CT   _C8_    41     1.53364   113.29240    97.12355
   49    48 S   HC   _H26    42     1.09671   110.96103    63.50162
   50    48 S   HC   _H27    43     1.09841   107.28229   179.31700
   51    41 S   OS   _O17    59     1.43268   107.25424   -28.31024
   52    48 S   CT   _C13    44     1.54446   111.00263   -60.72418
   53    52 S   CT   _C7_    45     1.55539   110.52523  -144.96467
   54    53 S   HC   _H24    46     1.09515   113.32280   -11.90908
   55    53 S   HC   _H25    47     1.09695   111.16799  -131.70027
   56    52 S   CT   _C15    70     1.54218   109.86411    96.86246
   57    56 S   HC   _H32    71     1.09013   113.38069   -60.13841
   58    56 S   HC   _H33    72     1.09201   112.40310   178.32404
   59    56 S   HC   _H34    73     1.09699   110.30577    59.45242
   60    53 S   CT   _C6_    48     1.52112   106.09563   110.27250
   61    60 S   HC   _H22    49     1.09181   112.51863   157.18517
   62    60 S   HC   _H23    50     1.09792   109.23379   -86.21896
   63    60 S   CT   _C11    51     1.54464   104.69736    31.53333
   64    63 S   HC   _H30    52     1.09885   106.72006  -158.05610
   65    52 S   CT   _C14    53     1.56459   107.68358   -30.53401
   66    63 S   CT   _C18    60     1.56528   114.50842    82.59034
   67    66 S   HC   _H41    61     1.09174   110.15039   -88.45627
   68    65 S   OS   _O18    58     1.46185   106.22442   -31.51476
   69    66 S   CT   _C16    62     1.53624   113.99560    31.40735
   70    69 S   HC   _H35    63     1.09520   111.33484    54.55212
   71    69 S   HC   _H36    64     1.09415   111.44023   -67.28659
   72    69 S   HC   _H37    65     1.09601   110.96744   174.52357
   73    66 S   CT   _C17    66     1.53807   111.71340   152.60081
   74    73 S   HC   _H38    67     1.09527   111.23897   -54.96123
   75    73 S   HC   _H39    68     1.09610   110.84635  -174.68736
   76    73 S   HC   _H40    69     1.08962   112.43753    66.75899
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  15  16   6  13   7   5   1   4   1   1  15
   6   5   4  15  14   7   6   7   3   2   1  10   5   4  13   6
   5  10   8   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    65    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    52    63    65    39    40    43    44    68    51    45    46    47  
   38    41    65    39    40    43    45  
   36    37  
   37  
    0  
   41    42    48    49    50    52    65    39    40    43    68    51    45    46    47  
   40    43    44    68    51    66    56    45    41    48    52    53    60    63    64    65  
   43    44    68    52    63    65  
   42    48    49    50    52    53    65    68    51    56    45    46    47  
   48    49    50    52    68    51    45  
   44    68    52    63    65  
   65  
   46    47    48    51  
   47  
    0  
   49    50    52    53    54    55    60    63    65    68    51    56    57    58    59  
   50    52    53    65    51    56  
   52    53    65    51    56  
   52    63    65    68  
   53    54    55    60    61    62    63    64    65    68    66    56    57    58    59  
   54    55    60    61    62    63    64    65    68    66    56    57    58    59  
   55    60    61    62    63    65    56  
   60    61    62    63    65    56  
   57    58    59    60    63    65    68  
   58    59    65  
   59    65  
   65  
   61    62    63    64    65    68    66    67    69    73  
   62    63    64    65    66  
   63    64    65    66  
   64    65    68    66    67    69    70    71    72    73    74    75    76  
   65    68    66    67    69    73  
   68    66    67    69    73  
   67    69    70    71    72    73    74    75    76    68  
   69    70    71    72    73    74    75    76  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    45   465.000  1.376
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   268.000  1.529
   52    65   268.000  1.529
   52    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    66   268.000  1.529
   65    39   268.000  1.529
   65    68   320.000  1.410
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   68    51   245.000  1.492
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    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
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   45    46   745.000  1.250
   45    47   335.000  1.111
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    45    70.00000  124.00000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  109.50000
   38    41    48    70.00000  112.02700
   38    41    51    85.00000  110.90400
   38    45    46    65.00000  137.10300
   38    45    47    45.00000  105.30000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    58.35000  112.70000
   41    51    68   125.00000  107.00000
   48    41    42    37.50000  110.70000
   48    52    53    58.35000  112.70000
   48    52    65    58.35000  112.70000
   48    52    56    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    55    37.50000  110.70000
   52    53    60    58.35000  112.70000
   52    65    63    58.35000  112.70000
   52    65    39    58.35000  112.70000
   52    65    68    50.00000  109.50000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    39    58.35000  112.70000
   63    65    68    50.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    69    58.35000  112.70000
   63    66    73    58.35000  112.70000
   65    52    53    58.35000  112.70000
   65    63    64    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    43    50.00000  109.50000
   65    68    51   125.00000  107.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   68    65    39    50.00000  109.50000
   51    41    42    35.00000  109.50000
   51    41    48    50.00000  109.50000
   66    63    64    37.50000  110.70000
   66    63    65    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   69    66    67    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    66    67    37.50000  110.70000
   73    66    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
   56    52    53    58.35000  112.70000
   56    52    65    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   45    38    41    70.00000  124.00000
   47    45    46    50.00000  124.16400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    48   0.46850  1.0 1.0
   33    38    41    48   0.08550 -1.0 2.0
   33    38    41    48   0.09800  1.0 3.0
   33    38    41    51   0.09700  1.0 1.0
   33    38    41    51   0.15600 -1.0 2.0
   33    38    41    51  -0.50800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    47   7.00000 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    45   0.00000  1.0 1.0
   34    33    39    65   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    65   0.34400  1.0 1.0
   38    33    39    65   0.09450 -1.0 2.0
   38    33    39    65   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    52   0.34400  1.0 1.0
   38    41    48    52   0.09450 -1.0 2.0
   38    41    48    52   0.11100  1.0 3.0
   38    41    51    68   0.37500  1.0 3.0
   41    38    45    46   7.00000 -1.0 2.0
   41    38    45    47   7.00000 -1.0 2.0
   41    48    52    53   0.56750  1.0 1.0
   41    48    52    53  -0.07550 -1.0 2.0
   41    48    52    53   0.20000  1.0 3.0
   41    48    52    65   0.56750  1.0 1.0
   41    48    52    65  -0.07550 -1.0 2.0
   41    48    52    65   0.20000  1.0 3.0
   41    48    52    56   0.56750  1.0 1.0
   41    48    52    56  -0.07550 -1.0 2.0
   41    48    52    56   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    52   0.15000  1.0 3.0
   42    41    51    68   0.37500  1.0 3.0
   48    41    51    68   0.37500  1.0 3.0
   48    52    53    54   0.15000  1.0 3.0
   48    52    53    55   0.15000  1.0 3.0
   48    52    53    60   0.56750  1.0 1.0
   48    52    53    60  -0.07550 -1.0 2.0
   48    52    53    60   0.20000  1.0 3.0
   48    52    65    63   0.56750  1.0 1.0
   48    52    65    63  -0.07550 -1.0 2.0
   48    52    65    63   0.20000  1.0 3.0
   48    52    65    39   0.56750  1.0 1.0
   48    52    65    39  -0.07550 -1.0 2.0
   48    52    65    39   0.20000  1.0 3.0
   48    52   -65    68   0.62750  1.0 1.0
   48    52   -65    68  -0.30950 -1.0 2.0
   48    52   -65    68   0.27300  1.0 3.0
   48    52    56    57   0.15000  1.0 3.0
   48    52    56    58   0.15000  1.0 3.0
   48    52    56    59   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    65   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    65   0.15000  1.0 3.0
   50    48    52    56   0.15000  1.0 3.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.15000  1.0 3.0
   52    53   -60    63   0.56750  1.0 1.0
   52    53   -60    63  -0.07550 -1.0 2.0
   52    53   -60    63   0.20000  1.0 3.0
   52    65    39    33   0.56750  1.0 1.0
   52    65    39    33  -0.07550 -1.0 2.0
   52    65    39    33   0.20000  1.0 3.0
   52    65    39    40   0.15000  1.0 3.0
   52    65    39    43   0.86500  1.0 1.0
   52    65    39    43  -0.17500 -1.0 2.0
   52    65    39    43   0.20800  1.0 3.0
   52    65    68    51   0.37500  1.0 3.0
   53    52   -65    63   0.56750  1.0 1.0
   53    52   -65    63  -0.07550 -1.0 2.0
   53    52   -65    63   0.20000  1.0 3.0
   53    52    65    39   0.56750  1.0 1.0
   53    52    65    39  -0.07550 -1.0 2.0
   53    52    65    39   0.20000  1.0 3.0
   53    52    65    68   0.62750  1.0 1.0
   53    52    65    68  -0.30950 -1.0 2.0
   53    52    65    68   0.27300  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60   -63    65   0.56750  1.0 1.0
   53    60   -63    65  -0.07550 -1.0 2.0
   53    60   -63    65   0.20000  1.0 3.0
   53    60    63    66   0.56750  1.0 1.0
   53    60    63    66  -0.07550 -1.0 2.0
   53    60    63    66   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63   -65    52   0.56750  1.0 1.0
   60    63   -65    52  -0.07550 -1.0 2.0
   60    63   -65    52   0.20000  1.0 3.0
   60    63    65    39   0.56750  1.0 1.0
   60    63    65    39  -0.07550 -1.0 2.0
   60    63    65    39   0.20000  1.0 3.0
   60    63    65    68   0.62750  1.0 1.0
   60    63    65    68  -0.30950 -1.0 2.0
   60    63    65    68   0.27300  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   60    63    66    73   0.56750  1.0 1.0
   60    63    66    73  -0.07550 -1.0 2.0
   60    63    66    73   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    65    39    33   0.56750  1.0 1.0
   63    65    39    33  -0.07550 -1.0 2.0
   63    65    39    33   0.20000  1.0 3.0
   63    65    39    40   0.15000  1.0 3.0
   63    65    39    43   0.86500  1.0 1.0
   63    65    39    43  -0.17500 -1.0 2.0
   63    65    39    43   0.20800  1.0 3.0
   63    65    68    51   0.37500  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.15000  1.0 3.0
   63    66    73    74   0.15000  1.0 3.0
   63    66    73    75   0.15000  1.0 3.0
   63    66    73    76   0.15000  1.0 3.0
   64    63    65    52   0.15000  1.0 3.0
   64    63    65    39   0.15000  1.0 3.0
   64    63    65    68   0.23400  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    73   0.15000  1.0 3.0
   65    52    53    54   0.15000  1.0 3.0
   65    52    53    55   0.15000  1.0 3.0
   65    52   -53    60   0.56750  1.0 1.0
   65    52   -53    60  -0.07550 -1.0 2.0
   65    52   -53    60   0.20000  1.0 3.0
   65    52    56    57   0.15000  1.0 3.0
   65    52    56    58   0.15000  1.0 3.0
   65    52    56    59   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    69   0.56750  1.0 1.0
   65    63    66    69  -0.07550 -1.0 2.0
   65    63    66    69   0.20000  1.0 3.0
   65    63    66    73   0.56750  1.0 1.0
   65    63    66    73  -0.07550 -1.0 2.0
   65    63    66    73   0.20000  1.0 3.0
   65    39    43    44  -0.11600  1.0 1.0
   65    39    43    44  -0.09450 -1.0 2.0
   65    39    43    44   0.21250  1.0 3.0
   65    68   -51    41  -2.50000 -1.0 2.0
   39    33    38    41   0.46850  1.0 1.0
   39    33    38    41   0.08550 -1.0 2.0
   39    33    38    41   0.09800  1.0 3.0
   39    33    38    45   0.09850  1.0 1.0
   39    33    38    45   0.15250 -1.0 2.0
   39    33    38    45  -0.50650  1.0 3.0
   39    65    68    51   0.37500  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   68    65    39    33   0.62750  1.0 1.0
   68    65    39    33  -0.30950 -1.0 2.0
   68    65    39    33   0.27300  1.0 3.0
   68    65    39    40   0.23400  1.0 3.0
   68    65    39    43   3.69350  1.0 1.0
   68    65    39    43  -1.82950 -1.0 2.0
   51    41    48    49   0.23400  1.0 3.0
   51    41    48    50   0.23400  1.0 3.0
   51    41   -48    52   0.62750  1.0 1.0
   51    41   -48    52  -0.30950 -1.0 2.0
   51    41   -48    52   0.27300  1.0 3.0
   66    63    65    52   0.56750  1.0 1.0
   66    63    65    52  -0.07550 -1.0 2.0
   66    63    65    52   0.20000  1.0 3.0
   66    63    65    39   0.56750  1.0 1.0
   66    63    65    39  -0.07550 -1.0 2.0
   66    63    65    39   0.20000  1.0 3.0
   66    63    65    68   0.62750  1.0 1.0
   66    63    65    68  -0.30950 -1.0 2.0
   66    63    65    68   0.27300  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   69    66    73    74   0.15000  1.0 3.0
   69    66    73    75   0.15000  1.0 3.0
   69    66    73    76   0.15000  1.0 3.0
   73    66    69    70   0.15000  1.0 3.0
   73    66    69    71   0.15000  1.0 3.0
   73    66    69    72   0.15000  1.0 3.0
   56    52    53    54   0.15000  1.0 3.0
   56    52    53    55   0.15000  1.0 3.0
   56    52    53    60   0.56750  1.0 1.0
   56    52    53    60  -0.07550 -1.0 2.0
   56    52    53    60   0.20000  1.0 3.0
   56    52    65    63   0.56750  1.0 1.0
   56    52    65    63  -0.07550 -1.0 2.0
   56    52    65    63   0.20000  1.0 3.0
   56    52    65    39   0.56750  1.0 1.0
   56    52    65    39  -0.07550 -1.0 2.0
   56    52    65    39   0.20000  1.0 3.0
   56    52    65    68   0.62750  1.0 1.0
   56    52    65    68  -0.30950 -1.0 2.0
   56    52    65    68   0.27300  1.0 3.0
   45    38    41    42   0.00000  1.0 1.0
   45    38    41    48   0.09850  1.0 1.0
   45    38    41    48   0.15250 -1.0 2.0
   45    38    41    48  -0.50650  1.0 3.0
   45    38    41    51   0.39000  1.0 1.0
   45    38    41    51  -0.05800 -1.0 2.0
   45    38    41    51  -0.55150  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
   33    41    38    45   1.10000 -1.0 2.0
   46    47    45    38   1.10000 -1.0 2.0
END
