* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    168    266     493
    1     0 S   NP   _N1_     1    28.96395    94.78929   -24.70434
    2     1 S   H    _HN1     2     1.02951    80.33636    15.64989
    3     1 S   H    _H1_     3     1.02834    27.40034  -177.10978
    4     1 S   H    _H2_     4     1.02782   111.89982   -90.36978
    5     1 S   CT   _CA1     5     1.50105   127.65471   124.04735
    6     5 S   HC   _HA1     6     1.09570   105.22416    84.11346
    7     5 S   CO3  _C1_     7     1.53798   112.42053   -36.18202
    8     7 S   O2Z  _O11     8     1.26372   114.99938   -43.17893
    9     7 S   O2Z  _O12     9     1.26235   114.94864   136.00715
   10     5 S   CT   _CB1    10     1.53085   107.45190  -157.85630
   11    10 S   HC   HB11    11     1.09829   109.44430   -49.57519
   12    10 S   HC   HB12    12     1.09819   110.42321    67.05125
   13    10 S   CT   _CG1    13     1.52992   112.57292  -170.55548
   14    13 S   HC   HG11    14     1.09586   110.58186   -64.02288
   15    13 S   HC   HG12    15     1.09663   109.85973    55.22320
   16    13 S   C    _CD1    16     1.51770   112.25925   175.71842
   17    16 S   O    _OE1    17     1.22726   123.24043     4.27196
   18    16 S   N    _N2_    18     1.38627   111.62687  -176.04136
   19    18 S   H    _HN2    19     1.01575   119.03665     1.49711
   20    18 S   CT1  _CA2    20     1.46168   123.33984   178.96297
   21    20 S   HC   _HA2    21     1.09469   109.15479    -5.03598
   22    20 S   C    _C2_    22     1.53452   108.23150  -120.04793
   23    22 S   O    _O2_    23     1.23027   122.48133  -145.81213
   24    20 S   CT   _CB2    32     1.53296   111.68865   117.67861
   25    24 S   HC   HB21    33     1.09683   109.31515    61.80753
   26    24 S   HC   HB22    34     1.09460   111.27706   178.61633
   27    22 S   N    _N3_    24     1.38413   113.43800    41.28118
   28    27 S   H    _HN3    25     1.01614   119.47214    -2.90333
   29    24 S   S    _SG2    35     1.82940   114.47510   -57.06344
   30    27 S   CT   _CA3    26     1.45268   123.14547   177.16006
   31    30 S   HC   HA31    27     1.09550   107.45525   -65.83183
   32    30 S   HC   HA32    28     1.09559   108.03283    50.58655
   33    29 S   CT   _C5_    36     1.84391   100.99919   -69.93452
   34    33 S   HC   _H3_    37     1.09277   107.66013    50.24152
   35    30 S   CO3  _C3_    29     1.52942   114.14917   172.64510
   36    35 S   O2Z  _O31    30     1.26370   116.10187    -0.45628
   37    35 S   O2Z  _O32    31     1.26441   114.40630   179.63256
   38    33 S   CM   _C6_    38     1.54123   110.89280   -72.35762
   39    33 S   OS   _O33    85     1.43800   110.42045   168.07765
   40    38 S   CMA  _C7_    39     1.37060   121.15440   115.53947
   41    40 S   OM   _O34    40     1.26950   125.03148    -0.73940
   42    38 S   CT   _C9_    46     1.54884   114.37946   -65.88859
   43    42 S   HC   _H4_    47     1.09919   106.93315    -2.76279
   44    39 S   CT   _C4_    86     1.42160   112.95814   -93.35965
   45    44 S   HC   _H8_    87     1.09327   108.22502   178.60844
   46    44 S   HC   _H9_    88     1.09386   110.84050    59.69396
   47    44 S   HC   _H10    89     1.09427   110.43227   -62.82370
   48    40 S   OS   _O35    41     1.41613   111.94085  -179.44433
   49    42 S   CT   _C10    48     1.54135   111.59282   113.05061
   50    49 S   HC   _H14    49     1.09712   109.77164    67.30029
   51    49 S   HC   _H15    50     1.09613   110.56598   -48.60815
   52    42 S   CT   _C23    78     1.55338   116.08723  -120.45797
   53    52 S   HC   _H7_    79     1.09674   109.94249   -68.63114
   54    48 S   CT   _C8_    42     1.42690   115.52728  -154.86345
   55    54 S   HC   _H11    43     1.09404   107.70000   173.04734
   56    54 S   HC   _H12    44     1.09521   111.12360    55.00242
   57    54 S   HC   _H13    45     1.09479   111.01671   -69.07164
   58    49 S   CT   _C11    51     1.52683   113.29257  -172.70792
   59    58 S   HC   _H5_    52     1.09843   107.99982  -165.75487
   60    52 S   CM   _C24    80     1.51095   112.31233    53.19087
   61    60 S   HC   _H27    81     1.08782   117.59292    59.64010
   62    58 S   C5A  _C12    53     1.49041   116.15453    73.48360
   63    60 S   CM   _C25    82     1.33814   123.98040  -119.98762
   64    63 S   HC   _H28    83     1.08463   120.47510   179.54976
   65    63 S   HC   _H29    84     1.08444   121.60300     0.19782
   66    62 S   C5B  _C13    54     1.38026   124.77809  -146.97057
   67    62 S   NA   _N4_    65     1.36568   126.75105    35.31382
   68    67 S   H    _H20    66     1.01115   125.80048    -1.85709
   69    66 S   C56B _C14    55     1.42248   107.44400  -179.03166
   70    66 S   CT   _C20    67     1.49298   122.22569     2.72793
   71    70 S   HC   _H21    68     1.09658   108.83762   109.31411
   72    70 S   HC   _H22    69     1.09602   110.14264  -133.89109
   73    69 S   CA   _C15    56     1.40932   134.38623  -179.16444
   74    73 S   HA   _H16    57     1.08619   120.76733    -0.27411
   75    70 S   CT   _C21    70     1.54219   112.27177   -12.19965
   76    75 S   HC   _H23    71     1.09495   111.74710   162.00858
   77    75 S   HC   _H24    72     1.09632   110.97201   -76.91623
   78    73 S   CA   _C16    58     1.39954   119.28567   179.66487
   79    78 S   HA   _H17    59     1.08692   119.53082  -180.00000
   80    58 S   NP   _N5_    73     1.53542   109.80453   -51.92050
   81    80 S   H    _H6_    74     1.02900   106.23051   -66.55947
   82    78 S   CA   _C17    60     1.39322   120.76831    -0.06561
   83    82 S   HA   _H18    61     1.08720   119.56257  -179.91607
   84    80 S   CT   _C22    75     1.51624   114.90741    50.58254
   85    84 S   HC   _H25    76     1.09635   106.52842  -175.13651
   86    84 S   HC   _H26    77     1.09535   108.29451    68.00873
   87    82 S   CA   _C18    62     1.39765   121.04029     0.01978
   88    87 S   HA   _H19    63     1.08503   120.92421  -179.86878
   89    69 S   C56A _C19    64     1.39880   106.93000     0.46352
  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
  14   5   2   1   1  16   6  10   3  17   8   3   2   1   1   4
  14   6   5  13   7   3   2   1   1  16   7   8   4  14   3   1
   1  15   9   3  12  10   5   4   7   4   7   4   3   6   3   4
   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    84    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    62    80    84    85    86    52    53    60    61    63    48  
   49    50    51    58    84    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    62    66    67    75    80    81    84    52    53    60  
   51    58    59    62    80    52  
   58    59    62    80    52  
   53    60    61    63    64    65    58    75    80    81    84    85    86  
   60    61    63    80    84    85    86  
   55    56    57  
   56    57  
   57  
    0  
   59    62    66    69    89    67    68    70    75    76    77    80    81    84    85    86  
   62    66    67    75    80    81    84  
   61    63    64    65    80    84    85    86  
   63    64    65    84  
   66    69    73    87    89    67    68    70    71    72    75    80    81    84  
   64    65    84  
   65  
    0  
   69    73    74    78    87    89    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    82    87    88    89  
   69    87    89  
   73    74    78    79    82    87    88    89    70    71    72    75  
   71    72    75    76    77    80    81    84    73    89  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    82    83    87    89  
   78    79    82    89  
   76    77    80    81    84    85    86  
   77    80    81    84  
   80    81    84  
   79    82    83    87    88    89  
   82    83    87  
   81    84    85    86  
   84    85    86  
   83    87    88    89  
   87    88    89  
   85    86  
   86  
    0  
   88    89  
   89  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    62   295.000  1.489
   58    80   367.000  1.471
   62    66   520.000  1.370
   62    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    89   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   367.000  1.471
   80    81   434.000  1.010
   80    84   367.000  1.471
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    52   268.000  1.529
   52    53   340.000  1.090
   52    60   317.000  1.510
   60    61   340.000  1.080
   60    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    84    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    70.00000  112.02700
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    62    70.00000  113.44400
   49    58    80    80.00000  111.20000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    62    66    55.00000  130.44200
   58    62    67    65.00000  122.56900
   58    80    75    75.00000  113.01200
   58    80    81    35.00000  109.50000
   58    80    84    75.00000  113.01200
   62    58    59    45.00000  110.47400
   62    66    69    80.00000  105.82900
   62    66    70    55.00000  127.77900
   62    67    89    90.00000  107.14200
   62    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    89    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    89    87    85.00000  122.70000
   69    89    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    82    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    82    87    63.00000  120.00000
   82    78    79    35.00000  120.00000
   82    87    88    35.00000  120.00000
   82    87    89    85.00000  120.00000
   87    82    83    35.00000  120.00000
   87    89    67    70.00000  132.80000
   89    69    73    85.00000  116.20000
   89    87    88    35.00000  120.00000
   89    67    68    35.00000  123.10000
   67    62    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    80.00000  111.20000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   75    80    84    75.00000  113.01200
   77    75    76    33.00000  107.80000
   80    58    59    35.00000  109.50000
   80    58    62    75.00000  111.64000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    52    80.00000  111.20000
   84    80    81    35.00000  109.50000
   84    52    53    37.50000  110.70000
   84    52    60    70.00000  112.02700
   86    84    85    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    84    85    37.50000  110.70000
   52    84    86    37.50000  110.70000
   52    60    61    35.00000  117.00000
   52    60    63    70.00000  124.00000
   60    52    53    35.00000  109.50000
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   63    60    61    35.00000  120.00000
   65    63    64    35.00000  117.00000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    84   0.34400  1.0 1.0
   38    42    52    84   0.09450 -1.0 2.0
   38    42    52    84   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.31000  1.0 1.0
   38    42    52    60   0.14700 -1.0 2.0
   38    42    52    60   0.07550  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    62  -0.03700  1.0 1.0
   42    49    58    62   0.37200 -1.0 2.0
   42    49    58    62  -0.47300  1.0 3.0
   42    49    58    80   1.36600  1.0 1.0
   42    49    58    80  -0.11450 -1.0 2.0
   42    49    58    80   0.24250  1.0 3.0
   42    52    60    61   0.00000  1.0 1.0
   42    52    60    63   0.09850  1.0 1.0
   42    52    60    63   0.15250 -1.0 2.0
   42    52    60    63  -0.50650  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    84   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    84   0.56750  1.0 1.0
   49    42    52    84  -0.07550 -1.0 2.0
   49    42    52    84   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.34400  1.0 1.0
   49    42    52    60   0.09450 -1.0 2.0
   49    42    52    60   0.11100  1.0 3.0
   49    58    62    66   0.04150 -1.0 2.0
   49    58    62    67   0.39850  1.0 1.0
   49    58    62    67   0.06450 -1.0 2.0
   49    58    62    67   0.32400  1.0 3.0
   49    58    80    75   0.47100  1.0 1.0
   49    58    80    81   0.17350  1.0 3.0
   49    58   -80    84   0.47100  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    62   0.43200  1.0 3.0
   50    49    58    80   0.19200  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    62   0.43200  1.0 3.0
   51    49    58    80   0.19200  1.0 3.0
   58    62    66    69   3.62500 -1.0 2.0
   58    62    66    70   3.62500 -1.0 2.0
   58    62    67    89   3.62500 -1.0 2.0
   58    62    67    68   2.00000 -1.0 2.0
   58    80    84    85   0.15000  1.0 3.0
   58    80    84    86   0.15000  1.0 3.0
   58    80    84    52   0.47100  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   59    58    62    67   0.00000  1.0 1.0
   59    58    80    75   0.15000  1.0 3.0
   59    58    80    81   0.13050  1.0 3.0
   59    58    80    84   0.15000  1.0 3.0
   62    58    80    75   0.03550  1.0 1.0
   62    58    80    75   0.09800 -1.0 2.0
   62    58    80    81   0.17350  1.0 3.0
   62    58    80    84   0.03550  1.0 1.0
   62    58    80    84   0.09800 -1.0 2.0
   62    66    69    73   3.62500 -1.0 2.0
   62    66   -69    89   3.50000 -1.0 2.0
   62    66    70    71   0.00000  1.0 1.0
   62    66    70    72   0.00000  1.0 1.0
   62    66   -70    75   0.04150 -1.0 2.0
   66    62   -67    89   3.62500 -1.0 2.0
   66    62    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    89    87   3.00000 -1.0 2.0
   66    69   -89    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   1.24050  1.0 1.0
   66    70    75    80   0.48100 -1.0 2.0
   66    70    75    80   1.08150  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    82   3.62500 -1.0 2.0
   69    89   -67    62   3.62500 -1.0 2.0
   69    89    67    68   1.52500 -1.0 2.0
   73    69    89    87   3.00000 -1.0 2.0
   73    69    89    67   3.00000 -1.0 2.0
   73    78    82    83   3.62500 -1.0 2.0
   73    78   -82    87   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    82   3.62500 -1.0 2.0
   78    82    87    88   3.62500 -1.0 2.0
   78    82    87    89   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    78    82    87   3.62500 -1.0 2.0
   82    87   -89    69   3.62500 -1.0 2.0
   82    87    89    67   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   83    82    87    89   3.62500 -1.0 2.0
   87    89    67    62   3.62500 -1.0 2.0
   87    89    67    68   1.52500 -1.0 2.0
   88    87    89    69   3.62500 -1.0 2.0
   88    87    89    67   3.62500 -1.0 2.0
   89    69    73    74   3.50000 -1.0 2.0
   89    69   -73    78   3.50000 -1.0 2.0
   67    62   -66    69   3.62500 -1.0 2.0
   67    62    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    89   3.62500 -1.0 2.0
   70    75   -80    58   0.47100  1.0 1.0
   70    75    80    81   0.17350  1.0 3.0
   70    75    80    84   0.47100  1.0 1.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.19200  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.19200  1.0 3.0
   75    80    84    85   0.15000  1.0 3.0
   75    80    84    86   0.15000  1.0 3.0
   75    80    84    52   0.47100  1.0 1.0
   76    75    80    58   0.15000  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    84   0.15000  1.0 3.0
   77    75    80    58   0.15000  1.0 3.0
   77    75    80    81   0.13050  1.0 3.0
   77    75    80    84   0.15000  1.0 3.0
   80    58   -62    66  -0.46400 -1.0 2.0
   80    58    62    67   0.04300 -1.0 2.0
   80    84   -52    42   1.36600  1.0 1.0
   80    84   -52    42  -0.11450 -1.0 2.0
   80    84   -52    42   0.24250  1.0 3.0
   80    84    52    53   0.19200  1.0 3.0
   80    84    52    60  -0.47300  1.0 1.0
   80    84    52    60   0.29700 -1.0 2.0
   80    84    52    60   0.83300  1.0 3.0
   81    80    84    85   0.13050  1.0 3.0
   81    80    84    86   0.13050  1.0 3.0
   81    80    84    52   0.17350  1.0 3.0
   84    52    60    61   0.00000  1.0 1.0
   84    52    60    63   0.09850  1.0 1.0
   84    52    60    63   0.15250 -1.0 2.0
   84    52    60    63  -0.50650  1.0 3.0
   85    84    52    42   0.15000  1.0 3.0
   85    84    52    53   0.15000  1.0 3.0
   85    84    52    60   0.15000  1.0 3.0
   86    84    52    42   0.15000  1.0 3.0
   86    84    52    53   0.15000  1.0 3.0
   86    84    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    63    64   7.00000 -1.0 2.0
   52    60    63    65   7.00000 -1.0 2.0
   53    52    60    61   0.33100  1.0 3.0
   53    52    60    63   0.00000  1.0 1.0
   61    60    63    64   7.00000 -1.0 2.0
   61    60    63    65   7.00000 -1.0 2.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   66    67    62    58   4.00000 -1.0 2.0
   69    70    66    62   4.00000 -1.0 2.0
   73    89    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   82    79    78    73   1.10000 -1.0 2.0
   87    83    82    78   1.10000 -1.0 2.0
   89    88    87    82   1.10000 -1.0 2.0
   87    67    89    69   4.00000 -1.0 2.0
   68    62    67    89   1.00000 -1.0 2.0
   52    61    60    63  15.00000 -1.0 2.0
   64    65    63    60  15.00000 -1.0 2.0
END
