* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    214     438
    1     0 S   NP   _N1_     1    30.48617    99.63721   -24.72814
    2     1 S   H    _HN1     2     1.02797   126.82230  -104.18560
    3     1 S   H    _H1_     3     1.02946    57.94742   -14.41194
    4     1 S   H    _H2_     4     1.02827    49.50208   173.58146
    5     1 S   CT   _CA1     5     1.50099   120.80028    81.68866
    6     5 S   HC   _HA1     6     1.09567   105.20544   113.61802
    7     5 S   CO3  _C1_     7     1.53795   112.53667    -6.73843
    8     7 S   O2Z  _O11     8     1.26370   115.03072   -40.83232
    9     7 S   O2Z  _O12     9     1.26232   114.97780   138.37469
   10     5 S   CT   _CB1    10     1.53066   107.44554  -128.22978
   11    10 S   HC   HB11    11     1.09840   109.55165   -48.21189
   12    10 S   HC   HB12    12     1.09811   110.36459    68.44149
   13    10 S   CT   _CG1    13     1.53006   112.56345  -169.06125
   14    13 S   HC   HG11    14     1.09506   110.71840   -65.92325
   15    13 S   HC   HG12    15     1.09652   109.64405    53.34848
   16    13 S   C    _CD1    16     1.51743   111.82807   174.37186
   17    16 S   O    _OE1    17     1.22770   123.02517    19.38931
   18    16 S   N    _N2_    18     1.38605   112.00857  -161.13822
   19    18 S   H    _HN2    19     1.01569   119.15776     2.44104
   20    18 S   CT1  _CA2    20     1.46150   123.26242   177.42458
   21    20 S   HC   _HA2    21     1.09723   109.05220    14.13641
   22    20 S   C    _C2_    22     1.53958   110.46664  -101.96898
   23    22 S   O    _O2_    23     1.23146   121.72363  -161.30593
   24    20 S   CT   _CB2    32     1.53471   111.28613   135.97220
   25    24 S   HC   HB21    33     1.09386   108.92297    56.84905
   26    24 S   HC   HB22    34     1.09309   109.42453   175.69866
   27    22 S   N    _N3_    24     1.38067   114.57403    24.88964
   28    27 S   H    _HN3    25     1.01482   119.50832    -2.47085
   29    24 S   S    _SG2    35     1.83058   111.87121   -64.48019
   30    27 S   CT   _CA3    26     1.45293   123.61835   178.05278
   31    30 S   HC   HA31    27     1.09520   107.26031   -76.24200
   32    30 S   HC   HA32    28     1.09499   108.53717    40.37851
   33    29 S   CT   _C13    36     1.85826   102.16546   175.15746
   34    30 S   CO3  _C3_    29     1.52998   113.74237   163.07675
   35    34 S   O2Z  _O31    30     1.26410   116.01788    10.26943
   36    34 S   O2Z  _O32    31     1.26407   114.49602  -169.80553
   37    33 S   CM   _C11    37     1.51724   111.19053   -60.21514
   38    33 S   CT   _C16    82     1.54487   106.64393   178.18070
   39    38 S   HC   _H32    83     1.09730   112.26039   -61.55029
   40    38 S   HC   _H33    84     1.09739   110.63281   179.50111
   41    38 S   HC   _H34    85     1.09624   112.75723    59.03071
   42    37 S   CMA  _C10    38     1.35921   123.22544   107.21632
   43    42 S   OM   _O22    39     1.26282   128.52059   175.98936
   44    37 S   CT   _C15    78     1.52092   116.19810   -74.40704
   45    44 S   HC   _H29    79     1.09472   110.40781   -72.71177
   46    44 S   HC   _H30    80     1.09449   113.22964   166.98950
   47    44 S   HC   _H31    81     1.09419   110.85435    47.68774
   48    42 S   CM   _C8_    40     1.49653   119.34783    -4.63743
   49    48 S   CM   _C9_    41     1.35412   121.76667    15.45244
   50    48 S   CT   _C21    48     1.53853   118.98609  -162.19118
   51    50 S   HC   _H43    49     1.09625   112.32929   -36.37233
   52    50 S   HC   _H44    50     1.09588   111.09387  -150.95609
   53    33 S   CO4  _C12    42     1.53011   108.11340    63.56275
   54    53 S   O    _O23    43     1.23399   121.67961    77.17258
   55    49 S   CT   _C14    44     1.50648   126.90340   179.80820
   56    55 S   HC   _H26    45     1.09612   110.60035   134.30601
   57    55 S   HC   _H27    46     1.09155   113.98671    15.59884
   58    55 S   HC   _H28    47     1.09479   110.00494  -106.07384
   59    50 S   CT   _C24    51     1.53504   110.30606    87.13344
   60    59 S   HC   _H49    52     1.09596   109.62925   -53.57676
   61    59 S   HC   _H50    53     1.09702   109.55506    63.25051
   62    59 S   CT   _C23    54     1.53104   111.96113  -175.36249
   63    62 S   HC   _H47    55     1.09727   109.55747    60.81770
   64    62 S   HC   _H48    56     1.09688   109.13437   -56.06600
   65    62 S   CT   _C18    57     1.53095   112.50308  -176.57354
   66    65 S   HC   _H37    58     1.09625   108.80539   173.67975
   67    65 S   HC   _H38    59     1.09621   109.86916    57.06453
   68    65 S   CZ   _C5_    60     1.46967   112.27418   -65.46652
   69    68 S   CZ   _C4_    61     1.20106   178.88460    57.57082
   70    69 S   CT   _C17    62     1.46871   179.61437   -27.91812
   71    70 S   HC   _H35    63     1.09641   108.92293   141.83183
   72    70 S   HC   _H36    64     1.09606   109.90781  -101.57286
   73    70 S   CT   _C22    65     1.52969   112.51817    21.22591
   74    73 S   HC   _H45    66     1.09656   110.15063    56.13420
   75    73 S   HC   _H46    67     1.09805   108.15677   171.98989
   76    73 S   CT   _C19    68     1.53120   113.13364   -66.84308
   77    76 S   HC   _H39    69     1.09525   110.32016    65.20936
   78    76 S   HC   _H40    70     1.09620   109.83668   -52.68892
   79    76 S   CZ   _C6_    71     1.46988   110.93252  -173.55819
   80    79 S   CZ   _C7_    72     1.20104   179.20722   104.48047
   81    80 S   CT   _C20    73     1.46220   179.50663   -32.56343
   82    81 S   HC   _H41    74     1.09393   110.78105  -145.94597
   83    81 S   HC   _H42    75     1.09342   110.56508   -25.20374
   84    81 S   OH   _O24    76     1.42070   109.78439    94.30223
   85    84 S   HO   _H51    77     0.97220   106.85049  -179.50703
  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  11   5   4   3
  16   2   1   1  15   8   3   2   1  13   4   5   2   1   1  14
  10  11   5   4   5   1   3   2   1   1   9   5   4   7   5   4
   5   3   2   5   7   9   5   4   7   5   4   5   3   2   5   5
   4   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    49    53    54    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    49    53    54    55    44    45    46    47    38    39    40    41  
   35    36  
   36  
    0  
   42    43    48    49    53    54    50    44    45    46    47    38    39    40    41  
   39    40    41    42    44    49    53    54  
   40    41    53  
   41    53  
   53  
   43    48    49    53    55    50    51    52    59    44    45    46    47  
   48    49    50    44  
   45    46    47    48    53  
   46    47  
   47  
    0  
   49    53    54    55    56    57    58    50    51    52    59    60    61    62  
   53    54    55    56    57    58    50    51    52    59  
   51    52    59    60    61    62    63    64    65    53    55  
   52    59    60    61    62  
   59    60    61    62  
   54    55    56    57    58  
   55  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    69  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70  
   67    68    69  
   68    69  
   69    70    71    72    73  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81  
   78    79    80  
   79    80  
   80    81    82    83    84  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   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   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    48   465.000  1.376
   48    49   549.000  1.340
   48    50   317.000  1.510
   49    53   320.000  1.462
   49    55   317.000  1.510
   53    54   570.000  1.229
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   390.000  1.470
   68    69   985.000  1.221
   69    70   390.000  1.470
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   390.000  1.470
   79    80   985.000  1.221
   80    81   390.000  1.470
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    53    49    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    48    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   42    48    49    70.00000  117.34000
   42    48    50    70.00000  124.00000
   48    42    43    65.00000  137.10300
   48    49    53    65.00000  118.96000
   48    49    55    70.00000  124.00000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    59    70.00000  112.02700
   49    53    54    80.00000  123.72100
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   53    33    37    70.00000  109.06800
   55    49    53    65.00000  116.34900
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   50    48    49    70.00000  124.00000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    30.00000  179.48800
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  108.50000
   68    65    67    35.00000  108.50000
   68    69    70    30.00000  179.48800
   69    70    71    35.00000  108.50000
   69    70    72    35.00000  108.50000
   69    70    73    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    30.00000  179.48800
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  108.50000
   79    76    78    35.00000  108.50000
   79    80    81    30.00000  179.48800
   80    81    82    35.00000  108.50000
   80    81    83    35.00000  108.50000
   80    81    84    90.00000  111.78800
   81    84    85    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   44    37    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    53    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    53    49   0.65300  1.0 1.0
   29    33    53    49  -0.03850 -1.0 2.0
   29    33    53    49   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   37    33    53    49   0.65300  1.0 1.0
   37    33    53    49  -0.03850 -1.0 2.0
   37    33    53    49   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -48    49   7.00000 -1.0 2.0
   37    42    48    50   7.00000 -1.0 2.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    47   0.00000  1.0 1.0
   42    48    49    53   7.00000 -1.0 2.0
   42    48    49    55   7.00000 -1.0 2.0
   42    48    50    51   0.00000  1.0 1.0
   42    48    50    52   0.00000  1.0 1.0
   42    48    50    59   0.09850  1.0 1.0
   42    48    50    59   0.15250 -1.0 2.0
   42    48    50    59  -0.50650  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    50   7.00000 -1.0 2.0
   48    49   -53    33  -0.33500  1.0 1.0
   48    49   -53    33   1.06600 -1.0 2.0
   48    49   -53    33  -0.14000  1.0 3.0
   48    49    53    54   1.00000 -1.0 2.0
   48    49    55    56   0.00000  1.0 1.0
   48    49    55    57   0.00000  1.0 1.0
   48    49    55    58   0.00000  1.0 1.0
   48    50    59    60   0.15000  1.0 3.0
   48    50    59    61   0.15000  1.0 3.0
   48    50    59    62   0.34400  1.0 1.0
   48    50    59    62   0.09450 -1.0 2.0
   48    50    59    62   0.11100  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    59   0.09850  1.0 1.0
   49    48    50    59   0.15250 -1.0 2.0
   49    48    50    59  -0.50650  1.0 3.0
   53    33   -37    42  -0.51250  1.0 1.0
   53    33   -37    42  -0.88800 -1.0 2.0
   53    33   -37    42   0.08850  1.0 3.0
   53    33    37    44   0.17250  1.0 1.0
   53    33    37    44  -0.04100 -1.0 2.0
   53    33    37    44  -0.33850  1.0 3.0
   53    33    38    39  -0.11250  1.0 3.0
   53    33    38    40  -0.11250  1.0 3.0
   53    33    38    41  -0.11250  1.0 3.0
   53    49    55    56   0.15000  1.0 3.0
   53    49    55    57   0.15000  1.0 3.0
   53    49    55    58   0.15000  1.0 3.0
   55    49    53    33   0.25700  1.0 1.0
   55    49    53    33   0.66200 -1.0 2.0
   55    49    53    33   0.04450  1.0 3.0
   55    49    53    54  -0.64400  1.0 1.0
   55    49    53    54   0.26850 -1.0 2.0
   50    48    49    53   7.00000 -1.0 2.0
   50    48    49    55   7.00000 -1.0 2.0
   50    59    62    63   0.15000  1.0 3.0
   50    59    62    64   0.15000  1.0 3.0
   50    59    62    65   0.56750  1.0 1.0
   50    59    62    65  -0.07550 -1.0 2.0
   50    59    62    65   0.20000  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    62   0.15000  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    61   0.15000  1.0 3.0
   52    50    59    62   0.15000  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.15000  1.0 3.0
   59    62    65    68  -0.74000  1.0 1.0
   59    62    65    68   0.24050 -1.0 2.0
   59    62    65    68   0.24650  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    68    69   0.00000  1.0 1.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    70   0.00000  1.0 1.0
   66    65    68    69   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   68    69    70    71   0.00000  1.0 1.0
   68    69    70    72   0.00000  1.0 1.0
   68    69    70    73   0.00000  1.0 1.0
   69    70    73    74   0.15000  1.0 3.0
   69    70    73    75   0.15000  1.0 3.0
   69    70    73    76  -0.74000  1.0 1.0
   69    70    73    76   0.24050 -1.0 2.0
   69    70    73    76   0.24650  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79  -0.74000  1.0 1.0
   70    73    76    79   0.24050 -1.0 2.0
   70    73    76    79   0.24650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.00000  1.0 1.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   79    80    81    82   0.00000  1.0 1.0
   79    80    81    83   0.00000  1.0 1.0
   79    80    81    84   0.00000  1.0 1.0
   80    81    84    85   0.35600  1.0 1.0
   80    81    84    85  -0.10750 -1.0 2.0
   80    81    84    85  -0.54400  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    48   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    53    49   0.65300  1.0 1.0
   38    33    53    49  -0.03850 -1.0 2.0
   38    33    53    49   0.33900  1.0 3.0
   38    33    53    54   0.30150 -1.0 2.0
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    44    37    42   1.10000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   42    50    48    49   1.10000 -1.0 2.0
   53    55    49    48   1.10000 -1.0 2.0
   33    49    53    54  10.50000 -1.0 2.0
END
