* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    169    260     497
    1     0 S   NP   _N1_     1    28.99803    96.70195   -20.65310
    2     1 S   H    _HN1     2     1.02833    47.22364   147.92529
    3     1 S   H    _H1_     3     1.02785    86.42403   -93.61916
    4     1 S   H    _H2_     4     1.02955    75.01120    16.42628
    5     1 S   CT   _CA1     5     1.50112   156.33051   123.23969
    6     5 S   HC   _HA1     6     1.09567   105.26441    78.50371
    7     5 S   CO3  _C1_     7     1.53808   112.25005   -41.87182
    8     7 S   O2Z  _O11     8     1.26368   115.01234   -46.56486
    9     7 S   O2Z  _O12     9     1.26210   114.92881   132.48961
   10     5 S   CT   _CB1    10     1.53058   107.42532  -163.46633
   11    10 S   HC   HB11    11     1.09831   109.55694   -49.25075
   12    10 S   HC   HB12    12     1.09819   110.35670    67.35661
   13    10 S   CT   _CG1    13     1.53004   112.58740  -170.21148
   14    13 S   HC   HG11    14     1.09603   110.58245   -61.48249
   15    13 S   HC   HG12    15     1.09648   109.93255    57.80422
   16    13 S   C    _CD1    16     1.51784   112.11473   178.36685
   17    16 S   O    _OE1    17     1.22744   123.26109     2.49332
   18    16 S   N    _N2_    18     1.38640   111.73960  -178.01712
   19    18 S   H    _HN2    19     1.01607   119.05696     2.94238
   20    18 S   CT1  _CA2    20     1.46255   123.24580  -178.58750
   21    20 S   HC   _HA2    21     1.09730   109.29975    -2.33900
   22    20 S   C    _C2_    22     1.53387   108.93556  -118.06691
   23    22 S   O    _O2_    23     1.23052   122.23944  -149.50372
   24    20 S   CT   _CB2    32     1.53239   111.38079   119.31901
   25    24 S   HC   HB21    33     1.09575   110.06630    59.39991
   26    24 S   HC   HB22    34     1.09523   110.81116   178.06225
   27    22 S   N    _N3_    24     1.38318   113.64681    38.02071
   28    27 S   H    _HN3    25     1.01618   119.51308    -3.73733
   29    24 S   S    _SG2    35     1.82358   111.58968   -61.68688
   30    27 S   CT   _CA3    26     1.45286   123.16299   176.95310
   31    30 S   HC   HA31    27     1.09551   107.52471   -63.94461
   32    30 S   HC   HA32    28     1.09557   107.95632    52.47310
   33    29 S   OS   _O37    36     1.66812    98.94203   170.80897
   34    30 S   CO3  _C3_    29     1.52942   114.11418   174.44815
   35    34 S   O2Z  _O31    30     1.26371   116.05366    -1.00288
   36    34 S   O2Z  _O32    31     1.26426   114.41416   179.06791
   37    33 S   CT   _C9_    37     1.43473   115.49226   -89.70301
   38    37 S   HC   _H3_    38     1.09861   110.14565    44.17428
   39    37 S   CM   _C10    39     1.50810   110.03810   -78.36693
   40    39 S   HC   _H19    40     1.08707   117.20329   -55.77199
   41    37 S   CT   _C8_    75     1.53719   107.67206   161.95266
   42    41 S   HC   _H17    76     1.09809   109.80809    55.46289
   43    41 S   HC   _H18    77     1.09630   109.95924   173.39455
   44    39 S   CM   _C11    41     1.34196   123.02104   124.34128
   45    44 S   HC   _H20    42     1.08833   119.00190     0.10653
   46    41 S   CT   _C7_    78     1.53326   111.89070   -65.07017
   47    46 S   HC   _H15    79     1.09682   109.48381   -56.92620
   48    46 S   HC   _H16    80     1.09646   109.96161    60.56256
   49    44 S   CT   _C12    43     1.50381   123.84718   179.32507
   50    49 S   HC   _H4_    44     1.09775   110.50911     2.87460
   51    46 S   CT   _C6_    81     1.52975   111.22707  -178.06427
   52    51 S   HC   _H13    82     1.09682   109.57411   -58.78101
   53    51 S   HC   _H14    83     1.09690   109.57717    58.50280
   54    49 S   CT   _C16    45     1.55533   111.97787  -121.06334
   55    54 S   HC   _H7_    46     1.09753   110.48344   -11.67089
   56    51 S   CT   _C5_    84     1.52839   111.30630   179.84298
   57    56 S   HC   _H11    85     1.09623   109.86491   -58.81883
   58    56 S   HC   _H12    86     1.09623   109.86804    58.90844
   59    54 S   CT   _C15    47     1.54039   101.43457  -126.10824
   60    59 S   HC   _H6_    48     1.09201   114.87108   167.76770
   61    54 S   CT   _C17    56     1.53188   114.35047   111.43485
   62    61 S   HC   _H23    57     1.09626   109.52912   171.49795
   63    61 S   HC   _H24    58     1.09717   110.72041    55.68670
   64    56 S   CT   _C4_    87     1.52033   111.48721  -179.95154
   65    64 S   HC   _H8_    88     1.09469   111.00133   -60.25716
   66    64 S   HC   _H9_    89     1.09469   110.99995    60.26138
   67    64 S   HC   _H10    90     1.09449   110.26152  -180.00000
   68    59 S   CT   _C14    49     1.51021   103.38108    40.94151
   69    68 S   HC   _H21    50     1.09468   111.90787  -172.05547
   70    68 S   HC   _H22    51     1.09296   114.45906    60.83534
   71    61 S   CM   _C18    59     1.50275   112.64233   -65.14334
   72    71 S   HC   _H25    60     1.08859   115.58804    88.91920
   73    49 S   CT   _C13    52     1.54316   112.69315   125.55093
   74    73 S   HC   _H5_    53     1.09246   115.87748   -40.89593
   75    71 S   CM   _C19    61     1.34193   127.00646   -92.31399
   76    75 S   HC   _H26    62     1.08875   117.23417  -178.02068
   77    73 S   OS   _O36    54     1.44207   106.05911  -164.18206
   78    75 S   CT   _C20    63     1.50301   126.99710     2.66704
   79    78 S   HC   _H27    64     1.09689   107.68773  -110.33925
   80    78 S   HC   _H28    65     1.09382   111.79110     6.37024
   81    59 S   OS   _O35    55     1.43854   108.72491   -66.91801
   82    78 S   CT   _C21    66     1.53553   112.82143   130.36921
   83    82 S   HC   _H29    67     1.09693   108.60065   172.51788
   84    82 S   HC   _H30    68     1.09775   109.02495    57.21598
   85    82 S   CT   _C22    69     1.52777   114.52999   -64.53527
   86    85 S   HC   _H31    70     1.09783   108.02086   170.26374
   87    85 S   HC   _H32    71     1.09531   110.05604    54.43735
   88    85 S   CO3  _C23    72     1.53130   117.31526   -70.14569
   89    88 S   O2Z  _O34    73     1.26114   116.53500   -13.68678
   90    88 S   O2Z  _O33    74     1.26527   114.10355   166.79761
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  13   7  11   4  10   5   4  11   4   9   5   4
  16   8   9   5   4  16   9   6   5   4  12   7  10   4   3   3
   2   1   1   6   5   4   7   3   3   2   8   4   1   9   5   4
   1   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    46  
   35    36  
   36  
    0  
   38    39    40    44    45    49    41    42    43    46    47    48    51  
   39    40    44    41    42    43    46  
   40    44    45    49    50    54    73    41    42    43    46  
   44    45    49    41  
   42    43    46    47    48    51    52    53    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    54    55    59    68    73    74    77    61  
   49    50    54    73  
   47    48    51    52    53    56    57    58    64  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    59    60    68    69    70    73    74    77    81    61    62    63    71  
   54    55    59    68    73    74    77    61  
   52    53    56    57    58    64    65    66    67  
   53    56    57    58    64  
   56    57    58    64  
   55    59    60    68    69    70    73    74    77    81    61    62    63    71    72    75  
   59    60    68    73    81    61    62    63    71  
   57    58    64    65    66    67  
   58    64    65    66    67  
   64    65    66    67  
   60    68    69    70    73    74    77    81    61    62    63    71  
   68    69    70    73    77    81    61  
   62    63    71    72    75    76    78    68    73    81  
   63    71    72    75  
   71    72    75  
   65    66    67  
   66    67  
   67  
    0  
   69    70    73    74    77    81  
   70    73    74    77    81  
   73    74    77    81  
   72    75    76    78    79    80    82  
   75    76    78  
   74    77    81  
   77    81  
   76    78    79    80    82    83    84    85  
   78    79    80    82  
   81  
   79    80    82    83    84    85    86    87    88  
   80    82    83    84    85  
   82    83    84    85  
    0  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   268.000  1.529
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    73   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    61   268.000  1.529
   59    60   340.000  1.090
   59    68   268.000  1.529
   59    81   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    77   320.000  1.410
   77    81   245.000  1.492
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   317.000  1.510
   71    72   340.000  1.080
   71    75   549.000  1.340
   75    76   340.000  1.080
   75    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    50.00000  109.50000
   37    39    40    35.00000  117.00000
   37    39    44    70.00000  124.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    46    58.35000  112.70000
   39    37    38    35.00000  109.50000
   39    44    45    35.00000  120.00000
   39    44    49    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    49    50    35.00000  109.50000
   44    49    54    70.00000  112.02700
   44    49    73    70.00000  112.02700
   49    44    45    35.00000  117.00000
   49    54    55    37.50000  110.70000
   49    54    59    58.35000  112.70000
   49    54    61    58.35000  112.70000
   49    73    68    58.35000  112.70000
   49    73    74    37.50000  110.70000
   49    73    77    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    68    58.35000  112.70000
   54    59    81    50.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    71    70.00000  112.02700
   59    54    55    37.50000  110.70000
   59    68    69    37.50000  110.70000
   59    68    70    37.50000  110.70000
   59    68    73    58.35000  112.70000
   59    81    77   125.00000  107.00000
   68    59    60    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    77    50.00000  109.50000
   70    68    69    33.00000  107.80000
   73    49    50    37.50000  110.70000
   73    49    54    58.35000  112.70000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    77    81   125.00000  107.00000
   77    73    74    35.00000  109.50000
   81    59    60    35.00000  109.50000
   81    59    68    50.00000  109.50000
   61    54    55    37.50000  110.70000
   61    54    59    58.35000  112.70000
   61    71    72    35.00000  117.00000
   61    71    75    70.00000  124.00000
   63    61    62    33.00000  107.80000
   71    61    62    35.00000  109.50000
   71    61    63    35.00000  109.50000
   71    75    76    35.00000  120.00000
   71    75    78    70.00000  124.00000
   75    71    72    35.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    82    70.00000  112.02700
   78    75    76    35.00000  117.00000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    85    58.35000  112.70000
   80    78    79    33.00000  107.80000
   82    78    79    37.50000  110.70000
   82    78    80    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    70.00000  109.69300
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    80.00000  126.00000
   41    37    38    37.50000  110.70000
   41    37    39    70.00000  112.02700
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    44   0.39000  1.0 1.0
   33    37    39    44  -0.05800 -1.0 2.0
   33    37    39    44  -0.55150  1.0 3.0
   33    37    41    42   0.23400  1.0 3.0
   33    37    41    43   0.23400  1.0 3.0
   33    37    41    46   0.62750  1.0 1.0
   33    37    41    46  -0.30950 -1.0 2.0
   33    37    41    46   0.27300  1.0 3.0
   37    39    44    45   7.00000 -1.0 2.0
   37    39    44    49   7.00000 -1.0 2.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    51   0.56750  1.0 1.0
   37    41    46    51  -0.07550 -1.0 2.0
   37    41    46    51   0.20000  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    43   0.15000  1.0 3.0
   39    37    41    46   0.34400  1.0 1.0
   39    37    41    46   0.09450 -1.0 2.0
   39    37    41    46   0.11100  1.0 3.0
   39    44    49    50   0.00000  1.0 1.0
   39    44    49    54   0.09850  1.0 1.0
   39    44    49    54   0.15250 -1.0 2.0
   39    44    49    54  -0.50650  1.0 3.0
   39    44    49    73   0.09850  1.0 1.0
   39    44    49    73   0.15250 -1.0 2.0
   39    44    49    73  -0.50650  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   44    49    54    55   0.15000  1.0 3.0
   44    49    54    59   0.34400  1.0 1.0
   44    49    54    59   0.09450 -1.0 2.0
   44    49    54    59   0.11100  1.0 3.0
   44    49    54    61   0.34400  1.0 1.0
   44    49    54    61   0.09450 -1.0 2.0
   44    49    54    61   0.11100  1.0 3.0
   44    49    73    68   0.34400  1.0 1.0
   44    49    73    68   0.09450 -1.0 2.0
   44    49    73    68   0.11100  1.0 3.0
   44    49    73    74   0.15000  1.0 3.0
   44    49    73    77   0.61850  1.0 1.0
   44    49    73    77  -0.22750 -1.0 2.0
   44    49    73    77   0.15300  1.0 3.0
   45    44    49    50   0.33100  1.0 3.0
   45    44    49    54   0.00000  1.0 1.0
   45    44    49    73   0.00000  1.0 1.0
   49    54    59    60   0.15000  1.0 3.0
   49    54   -59    68   0.56750  1.0 1.0
   49    54   -59    68  -0.07550 -1.0 2.0
   49    54   -59    68   0.20000  1.0 3.0
   49    54    59    81   0.62750  1.0 1.0
   49    54    59    81  -0.30950 -1.0 2.0
   49    54    59    81   0.27300  1.0 3.0
   49    54    61    62   0.15000  1.0 3.0
   49    54    61    63   0.15000  1.0 3.0
   49    54    61    71   0.34400  1.0 1.0
   49    54    61    71   0.09450 -1.0 2.0
   49    54    61    71   0.11100  1.0 3.0
   49    73   -77    81   0.37500  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   50    49    73    68   0.15000  1.0 3.0
   50    49    73    74   0.15000  1.0 3.0
   50    49    73    77   0.23400  1.0 3.0
   54    49   -73    68   0.56750  1.0 1.0
   54    49   -73    68  -0.07550 -1.0 2.0
   54    49   -73    68   0.20000  1.0 3.0
   54    49    73    74   0.15000  1.0 3.0
   54    49    73    77   0.62750  1.0 1.0
   54    49    73    77  -0.30950 -1.0 2.0
   54    49    73    77   0.27300  1.0 3.0
   54    59    68    69   0.15000  1.0 3.0
   54    59    68    70   0.15000  1.0 3.0
   54    59   -68    73   0.56750  1.0 1.0
   54    59   -68    73  -0.07550 -1.0 2.0
   54    59   -68    73   0.20000  1.0 3.0
   54    59   -81    77   0.37500  1.0 3.0
   54    61    71    72   0.00000  1.0 1.0
   54    61    71    75   0.09850  1.0 1.0
   54    61    71    75   0.15250 -1.0 2.0
   54    61    71    75  -0.50650  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    68   0.15000  1.0 3.0
   55    54    59    81   0.23400  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    71   0.15000  1.0 3.0
   59    54    61    62   0.15000  1.0 3.0
   59    54    61    63   0.15000  1.0 3.0
   59    54    61    71   0.34400  1.0 1.0
   59    54    61    71   0.09450 -1.0 2.0
   59    54    61    71   0.11100  1.0 3.0
   59    68   -73    49   0.56750  1.0 1.0
   59    68   -73    49  -0.07550 -1.0 2.0
   59    68   -73    49   0.20000  1.0 3.0
   59    68    73    74   0.15000  1.0 3.0
   59    68   -73    77   0.62750  1.0 1.0
   59    68   -73    77  -0.30950 -1.0 2.0
   59    68   -73    77   0.27300  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    73   0.15000  1.0 3.0
   60    59    81    77   0.37500  1.0 3.0
   68    59   -81    77   0.37500  1.0 3.0
   68    73   -77    81   0.37500  1.0 3.0
   69    68    73    49   0.15000  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    77   0.23400  1.0 3.0
   70    68    73    49   0.15000  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    77   0.23400  1.0 3.0
   73    49    54    55   0.15000  1.0 3.0
   73    49   -54    59   0.56750  1.0 1.0
   73    49   -54    59  -0.07550 -1.0 2.0
   73    49   -54    59   0.20000  1.0 3.0
   73    49    54    61   0.56750  1.0 1.0
   73    49    54    61  -0.07550 -1.0 2.0
   73    49    54    61   0.20000  1.0 3.0
   73    77   -81    59  -2.50000 -1.0 2.0
   74    73    77    81   0.37500  1.0 3.0
   81    59    68    69   0.23400  1.0 3.0
   81    59    68    70   0.23400  1.0 3.0
   81    59   -68    73   0.62750  1.0 1.0
   81    59   -68    73  -0.30950 -1.0 2.0
   81    59   -68    73   0.27300  1.0 3.0
   61    54    59    60   0.15000  1.0 3.0
   61    54    59    68   0.56750  1.0 1.0
   61    54    59    68  -0.07550 -1.0 2.0
   61    54    59    68   0.20000  1.0 3.0
   61    54    59    81   0.62750  1.0 1.0
   61    54    59    81  -0.30950 -1.0 2.0
   61    54    59    81   0.27300  1.0 3.0
   61    71    75    76   7.00000 -1.0 2.0
   61    71    75    78   7.00000 -1.0 2.0
   62    61    71    72   0.33100  1.0 3.0
   62    61    71    75   0.00000  1.0 1.0
   63    61    71    72   0.33100  1.0 3.0
   63    61    71    75   0.00000  1.0 1.0
   71    75    78    79   0.00000  1.0 1.0
   71    75    78    80   0.00000  1.0 1.0
   71    75    78    82   0.09850  1.0 1.0
   71    75    78    82   0.15250 -1.0 2.0
   71    75    78    82  -0.50650  1.0 3.0
   72    71    75    76   7.00000 -1.0 2.0
   72    71    75    78   7.00000 -1.0 2.0
   75    78    82    83   0.15000  1.0 3.0
   75    78    82    84   0.15000  1.0 3.0
   75    78    82    85   0.34400  1.0 1.0
   75    78    82    85   0.09450 -1.0 2.0
   75    78    82    85   0.11100  1.0 3.0
   76    75    78    79   0.33100  1.0 3.0
   76    75    78    80   0.33100  1.0 3.0
   76    75    78    82   0.00000  1.0 1.0
   78    82    85    86   0.15000  1.0 3.0
   78    82    85    87   0.15000  1.0 3.0
   78    82    85    88  -1.63150  1.0 1.0
   78    82    85    88  -0.43550 -1.0 2.0
   78    82    85    88   0.24500  1.0 3.0
   79    78    82    83   0.15000  1.0 3.0
   79    78    82    84   0.15000  1.0 3.0
   79    78    82    85   0.15000  1.0 3.0
   80    78    82    83   0.15000  1.0 3.0
   80    78    82    84   0.15000  1.0 3.0
   80    78    82    85   0.15000  1.0 3.0
   82    85    88    89   0.41150 -1.0 2.0
   82    85    88    90   0.41150 -1.0 2.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88  -0.11250  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    44   0.09850  1.0 1.0
   41    37    39    44   0.15250 -1.0 2.0
   41    37    39    44  -0.50650  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    56   0.56750  1.0 1.0
   41    46    51    56  -0.07550 -1.0 2.0
   41    46    51    56   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    64   0.56750  1.0 1.0
   46    51    56    64  -0.07550 -1.0 2.0
   46    51    56    64   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    64    65   0.15000  1.0 3.0
   51    56    64    66   0.15000  1.0 3.0
   51    56    64    67   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    64   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    64   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    67   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    67   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    40    39    44  15.00000 -1.0 2.0
   49    45    44    39  15.00000 -1.0 2.0
   61    72    71    75  15.00000 -1.0 2.0
   78    76    75    71  15.00000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
END
