* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    233     442
    1     0 S   NP   _N1_     1    29.19358    91.99768   -23.43156
    2     1 S   H    _HN1     2     1.02802    12.07845   146.59707
    3     1 S   H    _H1_     3     1.02813   103.46215   -99.88815
    4     1 S   H    _H2_     4     1.02944    98.62339    11.04985
    5     1 S   CT   _CA1     5     1.50126   122.68594   131.98378
    6     5 S   HC   _HA1     6     1.09554   105.30468    61.97564
    7     5 S   CO3  _C1_     7     1.53772   112.42359   -58.54152
    8     7 S   O2Z  _O11     8     1.26386   115.03040   -42.23885
    9     7 S   O2Z  _O12     9     1.26248   114.91423   136.92209
   10     5 S   CT   _CB1    10     1.52933   107.29107  -179.92598
   11    10 S   HC   HB11    11     1.09815   109.38130   -48.99209
   12    10 S   HC   HB12    12     1.09683   110.09205    67.60157
   13    10 S   CT   _CG1    13     1.52949   113.17780  -170.28849
   14    13 S   HC   HG11    14     1.09576   110.56673   -63.61079
   15    13 S   HC   HG12    15     1.09632   110.05118    55.85108
   16    13 S   C    _CD1    16     1.51822   111.81272   176.13031
   17    16 S   O    _OE1    17     1.22739   123.19696    -0.30001
   18    16 S   N    _N2_    18     1.38603   111.93343   179.75451
   19    18 S   H    _HN2    19     1.01578   119.15708     1.60108
   20    18 S   CT1  _CA2    20     1.46094   123.06601  -179.92338
   21    20 S   HC   _HA2    21     1.09608   109.33788    -3.97183
   22    20 S   C    _C2_    22     1.53493   108.91829  -119.31650
   23    22 S   O    _O2_    23     1.23050   122.02935  -147.77643
   24    20 S   CT   _CB2    32     1.53334   111.77854   118.18190
   25    24 S   HC   HB21    33     1.09659   109.60818    63.32994
   26    24 S   HC   HB22    34     1.09576   110.82726  -179.42870
   27    22 S   N    _N3_    24     1.38451   113.65581    39.67625
   28    27 S   H    _HN3    25     1.01503   118.98902    -0.41069
   29    24 S   S    _SG2    35     1.82781   114.87342   -56.50624
   30    27 S   CT   _CA3    26     1.45455   123.40161   175.27171
   31    30 S   HC   HA31    27     1.09526   109.23213    24.99962
   32    30 S   HC   HA32    28     1.09498   107.13320   141.98501
   33    29 S   CT   _C6_    36     1.82792   100.14021   -65.42855
   34    33 S   HC   _H10    37     1.09402   108.19106    67.61959
   35    33 S   HC   _H11    38     1.09532   108.25917   -49.23026
   36    30 S   CO3  _C3_    29     1.52909   113.06355   -98.47966
   37    36 S   O2Z  _O31    30     1.26405   115.35488   -45.98078
   38    36 S   O2Z  _O32    31     1.26346   115.01870   134.93048
   39    33 S   CT   _C5_    39     1.53548   113.96580  -170.80627
   40    39 S   HC   _H3_    40     1.09904   107.65894   177.97667
   41    39 S   CO4  _C7_    41     1.52028   111.23532   -65.23426
   42    41 S   O    _O33    42     1.22394   124.62656    94.61666
   43    39 S   CT   _C4_    78     1.52879   113.96003    60.70187
   44    43 S   HC   _H7_    79     1.09467   112.46050   -66.64483
   45    43 S   HC   _H8_    80     1.09486   110.80816    54.73917
   46    43 S   HC   _H9_    81     1.09599   110.29462   174.14703
   47    41 S   OS   _O34    43     1.36691   109.63701   -85.57997
   48    47 S   CT   _C8_    44     1.45539   117.49882   178.60703
   49    48 S   HC   _H4_    45     1.09736   108.46906   -26.63978
   50    48 S   CM   _C9_    46     1.52661   104.47021  -139.93480
   51    50 S   HC   _H12    47     1.09185   112.97998    19.69534
   52    48 S   CT   _C17    60     1.56256   109.75105    94.87712
   53    52 S   HC   _H6_    61     1.09523   108.74202    90.59774
   54    50 S   CM   _C10    48     1.35352   131.64981  -161.16037
   55    52 S   CM   _C18    62     1.49468   116.76842   -30.61276
   56    54 S   CM   _C11    49     1.44462   122.12091    -3.65323
   57    55 S   CO4  _C20    63     1.46923   110.38695  -103.67653
   58    57 S   O    _O37    64     1.21741   127.09609   171.10547
   59    55 S   CM   _C19    66     1.33686   128.00039    81.00932
   60    59 S   HC   _H16    67     1.08515   120.67839    -2.55413
   61    59 S   HC   _H17    68     1.08500   121.85325   177.57069
   62    54 S   CT   _C22    74     1.53469   121.42156  -178.34483
   63    62 S   OM   _O39    75     1.32413   107.18692  -102.94430
   64    62 S   HC   _H21    76     1.10208   105.97153   129.56731
   65    62 S   HC   _H22    77     1.10226   106.42235    23.93102
   66    56 S   CM   _C12    50     1.33176   126.00490   -95.51044
   67    66 S   HC   _H13    51     1.07351   130.94603    -3.73932
   68    80 S   OS   _O38    65     1.44696   107.99067  -165.50213
   69    66 S   CO4  _C13    52     1.45840   101.12894   167.36932
   70    69 S   O    _O35    53     1.22072   123.53775   176.27107
   71    69 S   CT   _C14    54     1.51109   110.12609    -6.54745
   72    71 S   CT   _C15    55     1.54183   112.10481  -101.49558
   73    72 S   HC   _H14    56     1.09816   109.38455   -58.30597
   74    72 S   HC   _H15    57     1.09827   109.54733  -173.67792
   75    56 S   OS   _O36    69     1.38995   115.42770    78.28816
   76    71 S   CT   _C21    70     1.52162   111.06837   131.89559
   77    76 S   HC   _H18    71     1.09553   110.82672  -171.22537
   78    76 S   HC   _H19    72     1.09490   111.55222    67.49364
   79    76 S   HC   _H20    73     1.09628   110.99223   -52.94837
   80    72 S   CT   _C16    58     1.54552   114.76723    64.53276
   81    80 S   HC   _H5_    59     1.09375   109.58489   -51.76247
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1   9  15
   7  13   4  15   7  10   9  12   8   3   4   1   1   5   2   1
   1   7   4   6  11   4  10   9   5   4   5   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    52    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    54    80    52    53    55  
   49    50    51    54    56    72    80    81    52    53    55    57    68    59    62  
   50    51    54    80    52    53    55  
   51    54    56    66    80    52    53    55    75    62    63    64    65  
   54    56    52    62  
   53    55    57    58    68    59    60    61    54    71    72    73    74    80    81  
   55    57    68    59    72    80    81  
   56    66    67    69    71    75    62    63    64    65  
   57    58    68    59    60    61    72    80    81  
   66    67    69    70    71    72    75    76    62    63    64    65  
   58    68    59    60    61    72    80    81  
   68    59    80  
   60    61    68    80  
   61  
    0  
   63    64    65    66    75  
   64    65  
   65  
    0  
   67    69    70    71    72    75    76  
   69    70    71    75  
   71    72    73    74    80    81  
   70    71    72    73    74    80    75    76    77    78    79  
   71    72    75    76  
   72    73    74    80    81    75    76    77    78    79  
   73    74    80    81    75    76    77    78    79  
   74    80    81    75    76  
   80    81    75    76  
   76    77    78    79    80  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   64   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    52   268.000  1.529
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    56   380.000  1.444
   54    62   317.000  1.510
   56    66   549.000  1.340
   56    75   440.000  1.360
   66    67   340.000  1.080
   66    69   320.000  1.462
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   268.000  1.529
   71    75   320.000  1.410
   71    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    80   268.000  1.529
   80    81   340.000  1.090
   80    52   268.000  1.529
   80    68   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    57   320.000  1.462
   55    59   549.000  1.340
   57    58   570.000  1.229
   57    68   214.000  1.327
   59    60   340.000  1.080
   59    61   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   570.000  1.307
   62    64   340.000  1.090
   62    65   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    85.00000  110.90400
   47    48    52    50.00000  109.50000
   48    50    51    35.00000  117.00000
   48    50    54    70.00000  124.00000
   48    52    80    58.35000  112.70000
   48    52    53    37.50000  110.70000
   48    52    55    70.00000  112.02700
   50    48    49    35.00000  109.50000
   50    54    56    70.00000  123.01800
   50    54    62    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    56    66    70.00000  123.01800
   54    56    75    80.00000  120.01400
   54    62    63    85.00000  110.90400
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   56    66    67    35.00000  120.00000
   56    66    69    65.00000  118.96000
   56    75    71    90.00000  111.18400
   66    69    70    80.00000  123.72100
   66    69    71    65.00000  118.62400
   69    66    67    40.00000  117.72500
   69    71    72    63.00000  111.10000
   69    71    75    90.00000  108.74100
   69    71    76    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    80    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    52    58.35000  112.70000
   72    80    68    50.00000  109.50000
   74    72    73    33.00000  107.80000
   80    72    73    37.50000  110.70000
   80    72    74    37.50000  110.70000
   80    52    53    37.50000  110.70000
   80    52    55    70.00000  112.02700
   80    68    57    83.00000  116.90000
   52    48    49    37.50000  110.70000
   52    48    50    70.00000  112.02700
   52    80    81    37.50000  110.70000
   52    55    57    65.00000  116.34900
   52    55    59    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    57    58    80.00000  123.72100
   55    57    68    90.00000  111.29400
   55    59    60    35.00000  120.00000
   55    59    61    35.00000  120.00000
   68    80    81    35.00000  109.50000
   68    80    52    50.00000  109.50000
   68    57    58    83.00000  123.40000
   59    55    57    65.00000  118.96000
   61    59    60    35.00000  117.00000
   75    56    66    80.00000  120.01400
   75    71    72    50.00000  109.50000
   76    71    72    58.35000  112.70000
   76    71    75    50.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    54    56    70.00000  124.00000
   64    62    63    45.00000  125.66300
   65    62    63    45.00000  125.66300
   65    62    64    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.82050  1.0 1.0
   41    47    48    50   0.00600 -1.0 2.0
   41    47    48    50   0.04400  1.0 3.0
   41    47    48    52  -0.25900  1.0 1.0
   41    47    48    52  -0.47000 -1.0 2.0
   41    47    48    52   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.00000  1.0 1.0
   47    48    50    54   0.39000  1.0 1.0
   47    48    50    54  -0.05800 -1.0 2.0
   47    48    50    54  -0.55150  1.0 3.0
   47    48    52    80   0.62750  1.0 1.0
   47    48    52    80  -0.30950 -1.0 2.0
   47    48    52    80   0.27300  1.0 3.0
   47    48    52    53   0.23400  1.0 3.0
   47    48    52    55   0.61850  1.0 1.0
   47    48    52    55  -0.22750 -1.0 2.0
   47    48    52    55   0.15300  1.0 3.0
   48    50    54    56   7.00000 -1.0 2.0
   48    50    54    62   7.00000 -1.0 2.0
   48    52    55    57   0.09700  1.0 1.0
   48    52    55    57   0.15600 -1.0 2.0
   48    52    55    57  -0.50800  1.0 3.0
   48    52    55    59   0.09850  1.0 1.0
   48    52    55    59   0.15250 -1.0 2.0
   48    52    55    59  -0.50650  1.0 3.0
   49    48    50    51   0.33100  1.0 3.0
   49    48    50    54   0.00000  1.0 1.0
   49    48    52    80   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   50    48    52    80   0.34400  1.0 1.0
   50    48    52    80   0.09450 -1.0 2.0
   50    48    52    80   0.11100  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    55   0.31000  1.0 1.0
   50    48    52    55   0.14700 -1.0 2.0
   50    48    52    55   0.07550  1.0 3.0
   50    54    56    66   0.28850  1.0 1.0
   50    54    56    66   2.61350 -1.0 2.0
   50    54    56    66   0.78400  1.0 3.0
   50    54    56    75  -0.51250  1.0 1.0
   50    54    56    75   1.23350 -1.0 2.0
   50    54    62    63   0.39000  1.0 1.0
   50    54    62    63  -0.05800 -1.0 2.0
   50    54    62    63  -0.55150  1.0 3.0
   50    54    62    64   0.00000  1.0 1.0
   50    54    62    65   0.00000  1.0 1.0
   51    50    54    56   7.00000 -1.0 2.0
   51    50    54    62   7.00000 -1.0 2.0
   54    56    66    67   7.00000 -1.0 2.0
   54    56    66    69   7.00000 -1.0 2.0
   54    56    75    71  -2.26850  1.0 1.0
   54    56    75    71   3.39050 -1.0 2.0
   56    54    62    63   0.39000  1.0 1.0
   56    54    62    63  -0.05800 -1.0 2.0
   56    54    62    63  -0.55150  1.0 3.0
   56    54    62    64   0.00000  1.0 1.0
   56    54    62    65   0.00000  1.0 1.0
   56    66    69    70   1.00000 -1.0 2.0
   56    66   -69    71  -0.33500  1.0 1.0
   56    66   -69    71   1.06600 -1.0 2.0
   56    66   -69    71  -0.14000  1.0 3.0
   66    56   -75    71  -2.26850  1.0 1.0
   66    56   -75    71   3.39050 -1.0 2.0
   66    69    71    72   0.65300  1.0 1.0
   66    69    71    72  -0.03850 -1.0 2.0
   66    69    71    72   0.33900  1.0 3.0
   66    69   -71    75   0.65300  1.0 1.0
   66    69   -71    75  -0.03850 -1.0 2.0
   66    69   -71    75   0.33900  1.0 3.0
   66    69    71    76   0.65300  1.0 1.0
   66    69    71    76  -0.03850 -1.0 2.0
   66    69    71    76   0.33900  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.04550  1.0 1.0
   67    66    69    71   0.83000 -1.0 2.0
   67    66    69    71  -0.04000  1.0 3.0
   69    71    72    73  -0.11250  1.0 3.0
   69    71    72    74  -0.11250  1.0 3.0
   69    71    72    80  -0.95700  1.0 1.0
   69    71    72    80  -0.18200 -1.0 2.0
   69    71    72    80   0.29450  1.0 3.0
   69    71   -75    56  -0.48150  1.0 1.0
   69    71   -75    56   0.09250 -1.0 2.0
   69    71   -75    56  -0.12850  1.0 3.0
   69    71    76    77  -0.11250  1.0 3.0
   69    71    76    78  -0.11250  1.0 3.0
   69    71    76    79  -0.11250  1.0 3.0
   70    69    71    72   0.30150 -1.0 2.0
   70    69    71    75   0.30150 -1.0 2.0
   70    69    71    76   0.30150 -1.0 2.0
   71    72    80    81   0.15000  1.0 3.0
   71    72    80    52   0.56750  1.0 1.0
   71    72    80    52  -0.07550 -1.0 2.0
   71    72    80    52   0.20000  1.0 3.0
   71    72    80    68   0.62750  1.0 1.0
   71    72    80    68  -0.30950 -1.0 2.0
   71    72    80    68   0.27300  1.0 3.0
   72    71    75    56  -0.46850  1.0 1.0
   72    71    75    56   0.09300 -1.0 2.0
   72    71    75    56  -0.12850  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   72    80    52    48   0.56750  1.0 1.0
   72    80    52    48  -0.07550 -1.0 2.0
   72    80    52    48   0.20000  1.0 3.0
   72    80    52    53   0.15000  1.0 3.0
   72    80    52    55   0.34400  1.0 1.0
   72    80    52    55   0.09450 -1.0 2.0
   72    80    52    55   0.11100  1.0 3.0
   72    80    68    57  -0.25900  1.0 1.0
   72    80    68    57  -0.47000 -1.0 2.0
   72    80    68    57   0.11750  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    52   0.15000  1.0 3.0
   73    72    80    68   0.23400  1.0 3.0
   74    72    80    81   0.15000  1.0 3.0
   74    72    80    52   0.15000  1.0 3.0
   74    72    80    68   0.23400  1.0 3.0
   80    52   -55    57   0.09700  1.0 1.0
   80    52   -55    57   0.15600 -1.0 2.0
   80    52   -55    57  -0.50800  1.0 3.0
   80    52    55    59   0.09850  1.0 1.0
   80    52    55    59   0.15250 -1.0 2.0
   80    52    55    59  -0.50650  1.0 3.0
   81    80    52    48   0.15000  1.0 3.0
   81    80    52    53   0.15000  1.0 3.0
   81    80    52    55   0.15000  1.0 3.0
   81    80    68    57   0.08050  1.0 3.0
   52    48    50    51   0.00000  1.0 1.0
   52    48    50    54   0.09850  1.0 1.0
   52    48    50    54   0.15250 -1.0 2.0
   52    48    50    54  -0.50650  1.0 3.0
   52    80   -68    57  -0.25900  1.0 1.0
   52    80   -68    57  -0.47000 -1.0 2.0
   52    80   -68    57   0.11750  1.0 3.0
   52    55    57    58  -0.64400  1.0 1.0
   52    55    57    58   0.26850 -1.0 2.0
   52    55   -57    68  -0.15000  1.0 1.0
   52    55   -57    68   0.89550 -1.0 2.0
   52    55   -57    68  -0.06900  1.0 3.0
   52    55    59    60   7.00000 -1.0 2.0
   52    55    59    61   7.00000 -1.0 2.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.00000  1.0 1.0
   55    57   -68    80   2.00000 -1.0 2.0
   57    55    59    60   7.00000 -1.0 2.0
   57    55    59    61   7.00000 -1.0 2.0
   58    57    68    80   3.00000 -1.0 2.0
   68    80    52    48   0.62750  1.0 1.0
   68    80    52    48  -0.30950 -1.0 2.0
   68    80    52    48   0.27300  1.0 3.0
   68    80    52    53   0.23400  1.0 3.0
   68    80   -52    55   0.61850  1.0 1.0
   68    80   -52    55  -0.22750 -1.0 2.0
   68    80   -52    55   0.15300  1.0 3.0
   59    55    57    58   1.00000 -1.0 2.0
   59    55    57    68  -0.56150  1.0 1.0
   59    55    57    68   2.19150 -1.0 2.0
   75    56    66    67   7.00000 -1.0 2.0
   75    56   -66    69   7.00000 -1.0 2.0
   75    71    72    73   0.23400  1.0 3.0
   75    71    72    74   0.23400  1.0 3.0
   75    71    72    80   0.62750  1.0 1.0
   75    71    72    80  -0.30950 -1.0 2.0
   75    71    72    80   0.27300  1.0 3.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   0.23400  1.0 3.0
   76    71    72    73   0.15000  1.0 3.0
   76    71    72    74   0.15000  1.0 3.0
   76    71    72    80   0.56750  1.0 1.0
   76    71    72    80  -0.07550 -1.0 2.0
   76    71    72    80   0.20000  1.0 3.0
   76    71    75    56  -0.46850  1.0 1.0
   76    71    75    56   0.09300 -1.0 2.0
   76    71    75    56  -0.12850  1.0 3.0
   62    54    56    66  -0.18600  1.0 3.0
   62    54    56    75   1.08500 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   37    30    36    38  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   48    51    50    54   1.10000 -1.0 2.0
   56    62    54    50   1.10000 -1.0 2.0
   54    75    56    66   1.10000 -1.0 2.0
   69    67    66    56   1.10000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
   52    57    55    59   1.10000 -1.0 2.0
   55    68    57    58  10.50000 -1.0 2.0
   60    61    59    55   1.10000 -1.0 2.0
END
