* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    249     470
    1     0 S   NP   _N1_     1    29.60227    95.05567   -25.33119
    2     1 S   H    _HN1     2     1.02830    31.19891  -170.86240
    3     1 S   H    _H1_     3     1.02786   118.96454   -94.56481
    4     1 S   H    _H2_     4     1.02949    75.87525     8.85452
    5     1 S   CT   _CA1     5     1.50103   123.09911   114.25555
    6     5 S   HC   _HA1     6     1.09572   105.20725    91.57553
    7     5 S   CO3  _C1_     7     1.53790   112.43772   -28.69911
    8     7 S   O2Z  _O11     8     1.26373   115.00340   -43.29512
    9     7 S   O2Z  _O12     9     1.26237   114.94343   135.86147
   10     5 S   CT   _CB1    10     1.53084   107.44075  -150.41836
   11    10 S   HC   HB11    11     1.09832   109.41209   -49.60533
   12    10 S   HC   HB12    12     1.09814   110.44557    67.01522
   13    10 S   CT   _CG1    13     1.52994   112.57620  -170.56470
   14    13 S   HC   HG11    14     1.09581   110.64232   -65.13792
   15    13 S   HC   HG12    15     1.09668   109.78531    54.09579
   16    13 S   C    _CD1    16     1.51785   112.20900   174.59387
   17    16 S   O    _OE1    17     1.22745   123.27676     7.38844
   18    16 S   N    _N2_    18     1.38663   111.69093  -172.87861
   19    18 S   H    _HN2    19     1.01589   118.99792     1.52418
   20    18 S   CT1  _CA2    20     1.46076   123.33387   177.70817
   21    20 S   HC   _HA2    21     1.09595   109.29869     1.13746
   22    20 S   C    _C2_    22     1.53540   108.90442  -113.91100
   23    22 S   O    _O2_    23     1.23061   122.18979  -149.72212
   24    20 S   CT   _CB2    32     1.53302   111.74053   123.52237
   25    24 S   HC   HB21    33     1.09650   109.71864    62.09360
   26    24 S   HC   HB22    34     1.09572   110.85880   179.48187
   27    22 S   N    _N3_    24     1.38303   113.73693    37.85552
   28    27 S   H    _HN3    25     1.01589   119.57686    -3.60408
   29    24 S   S    _SG2    35     1.82902   114.64360   -57.89618
   30    27 S   CT   _CA3    26     1.45285   123.23048   176.99697
   31    30 S   HC   HA31    27     1.09549   107.54694   -63.80089
   32    30 S   HC   HA32    28     1.09555   107.94927    52.64004
   33    29 S   CT   _C22    36     1.82748    99.85717   -64.10282
   34    33 S   HC   _H23    37     1.09479   108.54539   -48.25798
   35    33 S   HC   _H24    38     1.09161   106.73345    69.07106
   36    30 S   CO3  _C3_    29     1.52961   114.05637   174.62159
   37    36 S   O2Z  _O31    30     1.26378   116.05284    -0.13706
   38    36 S   O2Z  _O32    31     1.26423   114.41917   179.90935
   39    33 S   CT   _C20    39     1.53137   111.41353  -170.84779
   40    39 S   HC   _H8_    40     1.09647   111.58272   -48.69211
   41    39 S   CO4  _C21    41     1.51191   111.20357    74.11509
   42    41 S   O    _O35    42     1.22116   125.99119   -77.97952
   43    41 S   OS   _O36    43     1.36710   110.00680   101.51480
   44    43 S   CT   _C14    44     1.44013   110.44626    -2.99035
   45    44 S   HC   _H6_    45     1.09713   107.25158   -92.52241
   46    44 S   CT   _C11    46     1.54253   110.94350   146.10984
   47    46 S   HC   _H5_    47     1.09861   109.46731   -74.20638
   48    39 S   CT   _C15    63     1.53530   115.41676  -173.20012
   49    48 S   HC   _H7_    64     1.10182   105.87232   162.47570
   50    46 S   CM   _C12    48     1.51871   113.46800    46.71102
   51    50 S   CT   _C8_    49     1.50327   111.44832   105.16006
   52    51 S   HC   _H3_    50     1.09777   109.56187   112.96004
   53    50 S   CM   _C13    82     1.34038   124.64210   -80.44135
   54    53 S   HC   _H15    83     1.08490   121.12549  -176.97373
   55    53 S   HC   _H16    84     1.08479   121.22552     2.99343
   56    51 S   CT   _C9_    51     1.52493   103.36085    -5.86849
   57    56 S   HC   _H13    52     1.09829   110.84889   -92.85362
   58    56 S   HC   _H14    53     1.09616   110.26333   148.75642
   59    51 S   OS   _O34    68     1.43289   110.04295  -124.34581
   60    46 S   CT   _C10    54     1.55377   114.23233   162.90008
   61    60 S   HC   _H4_    55     1.10132   107.14810   158.24054
   62    59 S   CO4  _C7_    69     1.36052   116.34616  -166.84124
   63    62 S   O    _O33    70     1.21909   126.70240     0.52190
   64    60 S   CM   _C18    56     1.51826   117.72462    38.63508
   65    62 S   CM   _C6_    71     1.48215   107.15712   179.81025
   66    65 S   HC   _H12    72     1.08779   115.05186   -20.11033
   67    64 S   CT   _C17    57     1.50927   117.67420    36.36607
   68    67 S   HC   _H19    58     1.09659   110.45984    38.31598
   69    67 S   HC   _H20    59     1.09818   109.68119   154.13605
   70    64 S   CM   _C19    65     1.34539   123.33693  -145.45901
   71    70 S   HC   _H21    66     1.08375   122.58513     0.27124
   72    70 S   HC   _H22    67     1.08589   121.17398  -179.38071
   73    65 S   CM   _C5_    73     1.34556   125.55002   160.94836
   74    67 S   CT   _C16    60     1.52988   111.58573   -86.08984
   75    74 S   HC   _H17    61     1.09730   108.45677  -164.04345
   76    74 S   HC   _H18    62     1.09645   109.23693   -48.15388
   77    73 S   CT   _C4_    74     1.50723   119.79357   177.47237
   78    77 S   HC   _H9_    75     1.09498   110.32039   118.36143
   79    77 S   HC   _H10    76     1.09519   112.45048    -1.80721
   80    77 S   HC   _H11    77     1.09505   110.16395  -121.80135
   81    73 S   CT   _C23    78     1.50336   126.19303    -3.24715
   82    81 S   HC   _H25    79     1.09454   110.14654   105.21254
   83    81 S   HC   _H26    80     1.09162   113.53766   -16.82680
   84    81 S   HC   _H27    81     1.09583   110.12092  -135.57585
  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  13   7   8   3   9  16   7  19   8  10
   4  13  14   7   5   1   1   9   5   4   6   9   3   6   3   9
  10   3   8   5   4   3   1   1   8   2   1   1   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    74    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    67    74    75    76    48    49  
   41    42    43    44    74    48    49  
   42    43    44    45    46    74    48    49  
   43    44    48  
   44    45    46    47    50    60    74    48    49  
   45    46    47    50    51    56    60    61    64    67    74    75    76    48    49    53  
   46    47    50    60    74    48    49  
   47    50    51    52    56    57    58    60    61    64    67    74    48    49    70    59    53    54    55  
   50    51    56    60    61    64    48    53  
   49    50    60    64    67    68    69    74    75    76  
   67    74    75    76  
   51    52    56    57    58    60    61    64    59    62    53    54    55  
   52    56    57    58    60    61    64    59    62    63    65    53    54    55  
   56    57    58    60    59    62    53  
   54    55    56    59    60  
   55  
    0  
   57    58    60    61    64    67    70    59    62  
   58    60    61    64    59  
   60    61    64    59  
   62    63    65    66    73    60  
   61    64    67    68    69    74    70    71    72  
   64    67    70  
   63    65    66    73    77    81  
   65    66    73  
   67    68    69    74    75    76    70    71    72  
   66    73    77    78    79    80    81    82    83    84  
   73    77    81  
   68    69    74    75    76    70    71    72  
   69    74    75    76    70  
   74    75    76    70  
   71    72    74  
   72  
    0  
   77    78    79    80    81    82    83    84  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   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    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    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   268.000  1.529
   50    51   317.000  1.510
   50    53   549.000  1.340
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   317.000  1.510
   64    67   317.000  1.510
   64    70   549.000  1.340
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    48   268.000  1.529
   48    49   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    65   320.000  1.462
   65    66   340.000  1.080
   65    73   549.000  1.340
   73    77   317.000  1.510
   73    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
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    48    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    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    74    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    60    58.35000  112.70000
   44    48    74    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    65.00000  117.92700
   46    50    53    70.00000  124.00000
   46    60    56    58.35000  112.70000
   46    60    61    37.50000  110.70000
   46    60    64    70.00000  112.02700
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    51    59    85.00000  110.90400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    59    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    70.00000  112.02700
   58    56    57    33.00000  107.80000
   60    46    47    37.50000  110.70000
   60    46    50    70.00000  112.02700
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    67    65.00000  117.92700
   60    64    70    70.00000  124.00000
   64    60    61    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    74    70.00000  112.02700
   64    70    71    35.00000  120.00000
   64    70    72    35.00000  120.00000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    48    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    48    49    37.50000  110.70000
   76    74    75    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    74    75    37.50000  110.70000
   48    74    76    37.50000  110.70000
   70    64    67    70.00000  124.00000
   72    70    71    35.00000  117.00000
   59    51    52    35.00000  109.50000
   59    51    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    65    90.00000  111.29400
   62    65    66    40.00000  117.72500
   62    65    73    65.00000  118.96000
   65    62    63    80.00000  123.72100
   65    73    77    70.00000  124.00000
   65    73    81    70.00000  124.00000
   73    65    66    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    73    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
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    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    74   0.56750  1.0 1.0
   33    39    48    74  -0.07550 -1.0 2.0
   33    39    48    74   0.20000  1.0 3.0
   33    39    48    49   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    48   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    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    74   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    74  -0.95700  1.0 1.0
   41    39    48    74  -0.18200 -1.0 2.0
   41    39    48    74   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    60   0.62750  1.0 1.0
   43    44    46    60  -0.30950 -1.0 2.0
   43    44    46    60   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    74   0.62750  1.0 1.0
   43    44    48    74  -0.30950 -1.0 2.0
   43    44    48    74   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.46850  1.0 1.0
   44    46    50    51   0.08550 -1.0 2.0
   44    46    50    51   0.09800  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    60    56   0.56750  1.0 1.0
   44    46    60    56  -0.07550 -1.0 2.0
   44    46    60    56   0.20000  1.0 3.0
   44    46    60    61   0.15000  1.0 3.0
   44    46    60    64   0.34400  1.0 1.0
   44    46    60    64   0.09450 -1.0 2.0
   44    46    60    64   0.11100  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    60   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    74   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    74   0.56750  1.0 1.0
   46    44    48    74  -0.07550 -1.0 2.0
   46    44    48    74   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.34800  1.0 3.0
   46    50   -51    56   0.46850  1.0 1.0
   46    50   -51    56   0.08550 -1.0 2.0
   46    50   -51    56   0.09800  1.0 3.0
   46    50    51    59   0.09700  1.0 1.0
   46    50    51    59   0.15600 -1.0 2.0
   46    50    51    59  -0.50800  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    55   7.00000 -1.0 2.0
   46    60    64    67   0.46850  1.0 1.0
   46    60    64    67   0.08550 -1.0 2.0
   46    60    64    67   0.09800  1.0 3.0
   46    60    64    70   0.09850  1.0 1.0
   46    60    64    70   0.15250 -1.0 2.0
   46    60    64    70  -0.50650  1.0 3.0
   47    46    50    51   0.34800  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    60    56   0.15000  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    64   0.15000  1.0 3.0
   50    46   -60    56   0.34400  1.0 1.0
   50    46   -60    56   0.09450 -1.0 2.0
   50    46   -60    56   0.11100  1.0 3.0
   50    46    60    61   0.15000  1.0 3.0
   50    46    60    64   0.31000  1.0 1.0
   50    46    60    64   0.14700 -1.0 2.0
   50    46    60    64   0.07550  1.0 3.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51   -56    60   0.34400  1.0 1.0
   50    51   -56    60   0.09450 -1.0 2.0
   50    51   -56    60   0.11100  1.0 3.0
   50    51    59    62  -0.82050  1.0 1.0
   50    51    59    62   0.00600 -1.0 2.0
   50    51    59    62   0.04400  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -60    46   0.56750  1.0 1.0
   51    56   -60    46  -0.07550 -1.0 2.0
   51    56   -60    46   0.20000  1.0 3.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    64   0.34400  1.0 1.0
   51    56    60    64   0.09450 -1.0 2.0
   51    56    60    64   0.11100  1.0 3.0
   51    59    62    63   3.00000 -1.0 2.0
   51    59    62    65   2.00000 -1.0 2.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   52    51    59    62   0.08050  1.0 3.0
   56    51    59    62  -0.25900  1.0 1.0
   56    51    59    62  -0.47000 -1.0 2.0
   56    51    59    62   0.11750  1.0 3.0
   56    60    64    67   0.46850  1.0 1.0
   56    60    64    67   0.08550 -1.0 2.0
   56    60    64    67   0.09800  1.0 3.0
   56    60    64    70   0.09850  1.0 1.0
   56    60    64    70   0.15250 -1.0 2.0
   56    60    64    70  -0.50650  1.0 3.0
   57    56    60    46   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   58    56    60    46   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    64   0.15000  1.0 3.0
   60    46   -50    51   0.46850  1.0 1.0
   60    46   -50    51   0.08550 -1.0 2.0
   60    46   -50    51   0.09800  1.0 3.0
   60    46    50    53   0.09850  1.0 1.0
   60    46    50    53   0.15250 -1.0 2.0
   60    46    50    53  -0.50650  1.0 3.0
   60    64    67    68   0.34800  1.0 3.0
   60    64    67    69   0.34800  1.0 3.0
   60    64    67    74   0.46850  1.0 1.0
   60    64    67    74   0.08550 -1.0 2.0
   60    64    67    74   0.09800  1.0 3.0
   60    64    70    71   7.00000 -1.0 2.0
   60    64    70    72   7.00000 -1.0 2.0
   61    60    64    67   0.34800  1.0 3.0
   61    60    64    70   0.00000  1.0 1.0
   64    67    74    75   0.15000  1.0 3.0
   64    67    74    76   0.15000  1.0 3.0
   64    67    74    48   0.34400  1.0 1.0
   64    67    74    48   0.09450 -1.0 2.0
   64    67    74    48   0.11100  1.0 3.0
   67    64    70    71   7.00000 -1.0 2.0
   67    64    70    72   7.00000 -1.0 2.0
   67    74    48    39   0.56750  1.0 1.0
   67    74    48    39  -0.07550 -1.0 2.0
   67    74    48    39   0.20000  1.0 3.0
   67    74    48    44   0.56750  1.0 1.0
   67    74    48    44  -0.07550 -1.0 2.0
   67    74    48    44   0.20000  1.0 3.0
   67    74    48    49   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    48   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    48   0.15000  1.0 3.0
   75    74    48    39   0.15000  1.0 3.0
   75    74    48    44   0.15000  1.0 3.0
   75    74    48    49   0.15000  1.0 3.0
   76    74    48    39   0.15000  1.0 3.0
   76    74    48    44   0.15000  1.0 3.0
   76    74    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    60   0.56750  1.0 1.0
   48    44    46    60  -0.07550 -1.0 2.0
   48    44    46    60   0.20000  1.0 3.0
   70    64    67    68   0.00000  1.0 1.0
   70    64    67    69   0.00000  1.0 1.0
   70    64    67    74   0.09850  1.0 1.0
   70    64    67    74   0.15250 -1.0 2.0
   70    64    67    74  -0.50650  1.0 3.0
   59    51    56    57   0.23400  1.0 3.0
   59    51    56    58   0.23400  1.0 3.0
   59    51    56    60   0.62750  1.0 1.0
   59    51    56    60  -0.30950 -1.0 2.0
   59    51    56    60   0.27300  1.0 3.0
   59    62    65    66   1.63100 -1.0 2.0
   59    62    65    73  -0.56150  1.0 1.0
   59    62    65    73   2.19150 -1.0 2.0
   62    65    73    77   7.00000 -1.0 2.0
   62    65    73    81   7.00000 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    73   1.00000 -1.0 2.0
   65    73    77    78   0.00000  1.0 1.0
   65    73    77    79   0.00000  1.0 1.0
   65    73    77    80   0.00000  1.0 1.0
   65    73    81    82   0.00000  1.0 1.0
   65    73    81    83   0.00000  1.0 1.0
   65    73    81    84   0.00000  1.0 1.0
   66    65    73    77   7.00000 -1.0 2.0
   66    65    73    81   7.00000 -1.0 2.0
   77    73    81    82   0.34800  1.0 3.0
   77    73    81    83   0.34800  1.0 3.0
   77    73    81    84   0.34800  1.0 3.0
   81    73    77    78   0.34800  1.0 3.0
   81    73    77    79   0.34800  1.0 3.0
   81    73    77    80   0.34800  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    56   0.09850  1.0 1.0
   53    50    51    56   0.15250 -1.0 2.0
   53    50    51    56  -0.50650  1.0 3.0
   53    50    51    59   0.39000  1.0 1.0
   53    50    51    59  -0.05800 -1.0 2.0
   53    50    51    59  -0.55150  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    43    41    42  10.50000 -1.0 2.0
   46    51    50    53   1.10000 -1.0 2.0
   60    67    64    70   1.10000 -1.0 2.0
   71    72    70    64   1.10000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
   62    66    65    73  15.00000 -1.0 2.0
   77    81    73    65  15.00000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
