* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    247     492
    1     0 S   NP   _N1_     1    29.00077    93.81020   -24.93500
    2     1 S   H    _HN1     2     1.02947    86.27613     7.05930
    3     1 S   H    _H1_     3     1.02830    21.29125   174.23068
    4     1 S   H    _H2_     4     1.02785   111.39054  -101.27432
    5     1 S   CT   _CA1     5     1.50128   124.34689   119.28630
    6     5 S   HC   _HA1     6     1.09570   105.17321    77.68877
    7     5 S   CO3  _C1_     7     1.53797   112.53108   -42.49115
    8     7 S   O2Z  _O11     8     1.26356   114.97236   -39.35028
    9     7 S   O2Z  _O12     9     1.26231   114.97500   139.71204
   10     5 S   CT   _CB1    10     1.53067   107.41481  -164.27358
   11    10 S   HC   HB11    11     1.09829   109.40363   -49.03861
   12    10 S   HC   HB12    12     1.09782   110.39400    67.53446
   13    10 S   CT   _CG1    13     1.52965   112.58109  -169.95799
   14    13 S   HC   HG11    14     1.09498   110.66427   -65.18731
   15    13 S   HC   HG12    15     1.09678   109.73055    53.90772
   16    13 S   C    _CD1    16     1.51800   112.36113   174.26920
   17    16 S   O    _OE1    17     1.22721   123.28644     5.69629
   18    16 S   N    _N2_    18     1.38644   111.58572  -174.05439
   19    18 S   H    _HN2    19     1.01582   118.88174     0.51738
   20    18 S   CT1  _CA2    20     1.46272   123.56111   176.34312
   21    20 S   HC   _HA2    21     1.09740   109.37446     2.49669
   22    20 S   C    _C2_    22     1.53582   108.45520  -112.86260
   23    22 S   O    _O2_    23     1.23055   122.35779  -147.80623
   24    20 S   CT   _CB2    32     1.53349   111.51210   124.69473
   25    24 S   HC   HB21    33     1.09566   109.91072    54.54128
   26    24 S   HC   HB22    34     1.09420   110.24330   173.73421
   27    22 S   N    _N3_    24     1.38353   113.66576    39.68196
   28    27 S   H    _HN3    25     1.01580   119.54719    -3.33583
   29    24 S   S    _SG2    35     1.82628   111.09808   -66.51185
   30    27 S   CT   _CA3    26     1.45280   123.25498   177.15077
   31    30 S   HC   HA31    27     1.09548   107.51535   -64.64270
   32    30 S   HC   HA32    28     1.09556   107.98746    51.80612
   33    29 S   CT   _C21    36     1.86455   100.08954   166.74194
   34    33 S   HC   _H5_    37     1.09801   105.38505   -39.85890
   35    30 S   CO3  _C3_    29     1.52964   114.05337   173.80622
   36    35 S   O2Z  _O31    30     1.26379   116.06492    -0.39565
   37    35 S   O2Z  _O32    31     1.26425   114.41838   179.66312
   38    33 S   CT   _C7_    38     1.58593   112.66208  -156.34707
   39    38 S   OM   _O39    39     1.31788   108.91607   -64.82452
   40    33 S   CT   _C22    86     1.53687   108.79835    74.61166
   41    40 S   HC   _H27    87     1.09526   112.25829    63.31421
   42    40 S   HC   _H28    88     1.09495   111.47740   -57.65948
   43    40 S   HC   _H29    89     1.09419   111.14161  -175.73208
   44    38 S   CO4  _C8_    40     1.53322   107.04809    59.65222
   45    44 S   O    _O33    41     1.22831   122.97677    53.82907
   46    38 S   CT   _C6_    73     1.56279   110.43530   176.05032
   47    46 S   HC   _H9_    74     1.09898   110.97795    67.30676
   48    46 S   HC   _H10    75     1.10078   105.54133   -45.33449
   49    44 S   OS   _O34    42     1.36001   112.67470  -127.27496
   50    49 S   CT   _C9_    43     1.43329   118.64631  -179.93744
   51    50 S   HC   _H4_    44     1.09710   109.61422    35.28150
   52    50 S   CO4  _C15    45     1.52234   108.94727   151.34056
   53    52 S   O    _O35    46     1.23017   122.20041  -164.71731
   54    50 S   CT   _C10    57     1.52780   109.86677   -86.75346
   55    54 S   HC   _H11    58     1.09718   110.22545   179.25928
   56    54 S   HC   _H12    59     1.09678   108.45526    62.73848
   57    52 S   CM   _C14    47     1.48623   117.92721    14.16425
   58    57 S   CM   _C13    48     1.34395   120.63891    80.17958
   59    58 S   HC   _H17    49     1.09106   116.18655   179.81762
   60    57 S   CT   _C16    64     1.50036   115.67549  -101.82383
   61    60 S   HC   _H18    65     1.09665   112.18456  -168.92316
   62    60 S   HC   _H19    66     1.09616   109.50782   -51.65360
   63    58 S   CT   _C12    50     1.51061   131.73667     1.52867
   64    63 S   HC   _H15    51     1.09921   104.16411   118.67433
   65    63 S   HC   _H16    52     1.09828   108.73917  -129.23371
   66    60 S   OS   _O36    67     1.44105   111.14197    66.05682
   67    63 S   NT   _N4_    53     1.46825   118.53551    -2.09882
   68    66 S   CO4  _C17    68     1.36669   117.18973    99.72992
   69    68 S   O    _O37    69     1.22632   125.23159    -5.87863
   70    67 S   CT   _C11    54     1.47357   112.62550   -79.23348
   71    70 S   HC   _H13    55     1.09683   112.27925    -8.02857
   72    70 S   HC   _H14    56     1.09779   110.94538  -125.08517
   73    67 S   CT   _C20    60     1.46534   110.30250   157.12194
   74    73 S   HC   _H24    61     1.09554   110.62374  -177.44411
   75    73 S   HC   _H25    62     1.09610   112.04365    61.31009
   76    73 S   HC   _H26    63     1.09579   110.72683   -59.93366
   77    68 S   CT   _C18    70     1.53688   110.85831   167.92377
   78    77 S   CT   _C5_    71     1.56715   114.23612    54.61499
   79    78 S   HC   _H3_    72     1.09589   109.03411   -41.93352
   80    77 S   CT   _C19    80     1.54146   104.90602   -70.44545
   81    80 S   HC   _H20    81     1.09549   111.65783  -164.84416
   82    80 S   HC   _H21    82     1.09521   111.81589    72.43741
   83    80 S   HC   _H22    83     1.09751   110.83970   -47.43800
   84    77 S   OH   _O38    84     1.42829   108.55829   176.41526
   85    84 S   HO   _H23    85     0.97275   108.04523    50.04553
   86    78 S   CT   _C4_    76     1.54680   111.06868  -157.64928
   87    86 S   HC   _H6_    77     1.09515   111.26000   -58.67457
   88    86 S   HC   _H7_    78     1.09587   111.08519  -178.98741
   89    86 S   HC   _H8_    79     1.09425   111.61727    62.95247
  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  10   5   4   3
  14   8   2   1   1  16   8   5   2   1   1  10   3  13   5   4
   9  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4
   3   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6
   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    78    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    77    78    79    46    47    48    86    40    41    42    43  
   44    45    49    78    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    54    78    46    47    48  
   49    50    46  
   47    48    86    87    88    89    80    84    49    68    77    78    79  
   48    86    77    78    79  
   86    77    78    79  
   50    51    52    53    57    70    54    55    56  
   51    52    53    57    58    67    70    71    72    54    55    56    60  
   52    53    57    70    54    55    56  
   53    57    58    59    63    70    54    55    56    60    61    62    66  
   57    58    54    60  
   55    56    73    57    63    67    70    71    72  
   56    67    70    71    72  
   67    70    71    72  
   58    59    63    64    65    67    60    61    62    66    68  
   59    63    64    65    67    70    73    60    61    62    66  
   63    64    65    67    60  
   61    62    66    68    69    77    63  
   62    66    68  
   66    68  
   64    65    67    70    71    72    73    74    75    76  
   65    67    70    73  
   67    70    73  
   68    69    77    78    80    84  
   70    71    72    73    74    75    76  
   69    77    78    79    86    80    81    82    83    84    85  
   77    78    80    84  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    86    87    88    89    80    81    82    83    84    85  
   79    86    87    88    89    80    81    82    83    84    85  
   86    87    88    89    80    84  
   81    82    83    84    85    86  
   82    83    84  
   83    84  
   84  
   85    86  
    0  
   87    88    89  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    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   268.000  1.529
   33    40   268.000  1.529
   38    39   570.000  1.307
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    57   320.000  1.462
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   382.000  1.448
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    77   317.000  1.522
   77    78   268.000  1.529
   77    80   268.000  1.529
   77    84   320.000  1.410
   78    79   340.000  1.090
   78    46   268.000  1.529
   78    86   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    78    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    90.00000  108.74100
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    90.00000  108.74100
   49    50    54    50.00000  109.50000
   50    52    53    80.00000  120.40000
   50    52    57    65.00000  118.62400
   50    54    70    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    57    58    65.00000  118.96000
   52    57    60    65.00000  116.34900
   57    52    53    80.00000  123.72100
   57    58    59    35.00000  120.00000
   57    58    63    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.70900
   63    58    59    35.00000  117.00000
   63    67    70    51.80000  107.20000
   63    67    73    51.80000  107.20000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    54    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    54    55    37.50000  110.70000
   70    54    56    37.50000  110.70000
   72    70    71    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   54    70    71    37.50000  110.70000
   54    70    72    37.50000  110.70000
   56    54    55    33.00000  107.80000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    57    58    70.00000  124.00000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    77    81.00000  111.40000
   68    77    78    63.00000  111.10000
   68    77    80    63.00000  111.10000
   68    77    84    90.00000  109.61100
   77    68    69    80.00000  120.40000
   77    78    79    37.50000  110.70000
   77    78    46    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   77    84    85    55.00000  108.50000
   78    46    47    37.50000  110.70000
   78    46    48    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   46    38    39    50.00000  109.50000
   46    38    44    63.00000  111.10000
   46    78    79    37.50000  110.70000
   48    46    47    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    46    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    77    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    77    78    50.00000  109.50000
   84    77    80    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    78   0.56750  1.0 1.0
   33    38    46    78  -0.07550 -1.0 2.0
   33    38    46    78   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.30150 -1.0 2.0
   39    38    44    49   0.40000  1.0 3.0
   39    38    46    78   0.62750  1.0 1.0
   39    38    46    78  -0.30950 -1.0 2.0
   39    38    46    78   0.27300  1.0 3.0
   39    38    46    47   0.23400  1.0 3.0
   39    38    46    48   0.23400  1.0 3.0
   44    38    46    78  -0.95700  1.0 1.0
   44    38    46    78  -0.18200 -1.0 2.0
   44    38    46    78   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -1.80650  1.0 1.0
   44    49    50    52   0.63900 -1.0 2.0
   44    49    50    52   0.03650  1.0 3.0
   44    49    50    54  -0.25900  1.0 1.0
   44    49    50    54  -0.47000 -1.0 2.0
   44    49    50    54   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.30150 -1.0 2.0
   49    50    52    57   0.65300  1.0 1.0
   49    50    52    57  -0.03850 -1.0 2.0
   49    50    52    57   0.33900  1.0 3.0
   49    50    54    70   0.62750  1.0 1.0
   49    50    54    70  -0.30950 -1.0 2.0
   49    50    54    70   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    56   0.23400  1.0 3.0
   50    52    57    58  -0.33500  1.0 1.0
   50    52    57    58   1.06600 -1.0 2.0
   50    52    57    58  -0.14000  1.0 3.0
   50    52    57    60   0.25700  1.0 1.0
   50    52    57    60   0.66200 -1.0 2.0
   50    52    57    60   0.04450  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    54    70   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    70  -0.95700  1.0 1.0
   52    50    54    70  -0.18200 -1.0 2.0
   52    50    54    70   0.29450  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    57    58    59   7.00000 -1.0 2.0
   52    57    58    63   7.00000 -1.0 2.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    66   0.09700  1.0 1.0
   52    57    60    66   0.15600 -1.0 2.0
   52    57    60    66  -0.50800  1.0 3.0
   53    52    57    58   1.00000 -1.0 2.0
   53    52    57    60  -0.64400  1.0 1.0
   53    52    57    60   0.26850 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    67   0.90200  1.0 1.0
   57    58    63    67   0.57900 -1.0 2.0
   57    58    63    67  -0.62100  1.0 3.0
   57    60    66    68  -0.82050  1.0 1.0
   57    60    66    68   0.00600 -1.0 2.0
   57    60    66    68   0.04400  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    66   0.39000  1.0 1.0
   58    57    60    66  -0.05800 -1.0 2.0
   58    57    60    66  -0.55150  1.0 3.0
   58    63    67    70  -0.60800  1.0 1.0
   58    63    67    70   1.10050 -1.0 2.0
   58    63    67    70   0.47000  1.0 3.0
   58    63    67    73  -0.60800  1.0 1.0
   58    63    67    73   1.10050 -1.0 2.0
   58    63    67    73   0.47000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    70    71   0.28000  1.0 3.0
   63    67    70    72   0.28000  1.0 3.0
   63    67    70    54   0.23450  1.0 1.0
   63    67    70    54   0.02050 -1.0 2.0
   63    67    70    54   0.25250  1.0 3.0
   63    67    73    74   0.28000  1.0 3.0
   63    67    73    75   0.28000  1.0 3.0
   63    67    73    76   0.28000  1.0 3.0
   64    63    67    70   0.28000  1.0 3.0
   64    63    67    73   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   65    63    67    73   0.28000  1.0 3.0
   67    70    54    50   1.53400  1.0 1.0
   67    70    54    50  -0.09950 -1.0 2.0
   67    70    54    50   0.05700  1.0 3.0
   67    70    54    55   0.15000  1.0 3.0
   67    70    54    56   0.15000  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   71    70    54    50   0.15000  1.0 3.0
   71    70    54    55   0.15000  1.0 3.0
   71    70    54    56   0.15000  1.0 3.0
   72    70    54    50   0.15000  1.0 3.0
   72    70    54    55   0.15000  1.0 3.0
   72    70    54    56   0.15000  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    57   0.65300  1.0 1.0
   54    50    52    57  -0.03850 -1.0 2.0
   54    50    52    57   0.33900  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    54   0.23450  1.0 1.0
   73    67    70    54   0.02050 -1.0 2.0
   73    67    70    54   0.25250  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    63   7.00000 -1.0 2.0
   60    66    68    69   3.00000 -1.0 2.0
   60    66    68    77   1.63150  1.0 1.0
   60    66    68    77   2.92000 -1.0 2.0
   61    60    66    68   0.08050  1.0 3.0
   62    60    66    68   0.08050  1.0 3.0
   66    68    77    78   0.36750  1.0 3.0
   66    68    77    80   0.36750  1.0 3.0
   66    68    77    84   0.30750  1.0 1.0
   66    68    77    84   1.13850 -1.0 2.0
   66    68    77    84   0.38850  1.0 3.0
   68    77    78    79  -0.11250  1.0 3.0
   68    77    78    46  -0.95700  1.0 1.0
   68    77    78    46  -0.18200 -1.0 2.0
   68    77    78    46   0.29450  1.0 3.0
   68    77    78    86  -0.95700  1.0 1.0
   68    77    78    86  -0.18200 -1.0 2.0
   68    77    78    86   0.29450  1.0 3.0
   68    77    80    81  -0.11250  1.0 3.0
   68    77    80    82  -0.11250  1.0 3.0
   68    77    80    83  -0.11250  1.0 3.0
   68    77    84    85   0.91850  1.0 1.0
   68    77    84    85   0.57950  1.0 3.0
   69    68    77    78   0.30150 -1.0 2.0
   69    68    77    80   0.30150 -1.0 2.0
   69    68    77    84   0.30150 -1.0 2.0
   77    78    46    38   0.56750  1.0 1.0
   77    78    46    38  -0.07550 -1.0 2.0
   77    78    46    38   0.20000  1.0 3.0
   77    78    46    47   0.15000  1.0 3.0
   77    78    46    48   0.15000  1.0 3.0
   77    78    86    87   0.15000  1.0 3.0
   77    78    86    88   0.15000  1.0 3.0
   77    78    86    89   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   78    77    84    85  -0.11600  1.0 1.0
   78    77    84    85  -0.09450 -1.0 2.0
   78    77    84    85   0.21250  1.0 3.0
   79    78    46    38   0.15000  1.0 3.0
   79    78    46    47   0.15000  1.0 3.0
   79    78    46    48   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    89   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    78    86    87   0.15000  1.0 3.0
   46    78    86    88   0.15000  1.0 3.0
   46    78    86    89   0.15000  1.0 3.0
   86    78    46    38   0.56750  1.0 1.0
   86    78    46    38  -0.07550 -1.0 2.0
   86    78    46    38   0.20000  1.0 3.0
   86    78    46    47   0.15000  1.0 3.0
   86    78    46    48   0.15000  1.0 3.0
   80    77    78    79   0.15000  1.0 3.0
   80    77    78    46   0.56750  1.0 1.0
   80    77    78    46  -0.07550 -1.0 2.0
   80    77    78    46   0.20000  1.0 3.0
   80    77    78    86   0.56750  1.0 1.0
   80    77    78    86  -0.07550 -1.0 2.0
   80    77    78    86   0.20000  1.0 3.0
   80    77    84    85  -0.11600  1.0 1.0
   80    77    84    85  -0.09450 -1.0 2.0
   80    77    84    85   0.21250  1.0 3.0
   84    77    78    79   0.23400  1.0 3.0
   84    77    78    46   0.86500  1.0 1.0
   84    77    78    46  -0.17500 -1.0 2.0
   84    77    78    46   0.20800  1.0 3.0
   84    77    78    86   0.86500  1.0 1.0
   84    77    78    86  -0.17500 -1.0 2.0
   84    77    78    86   0.20800  1.0 3.0
   84    77    80    81   0.23400  1.0 3.0
   84    77    80    82   0.23400  1.0 3.0
   84    77    80    83   0.23400  1.0 3.0
   40    33    38    39   0.62750  1.0 1.0
   40    33    38    39  -0.30950 -1.0 2.0
   40    33    38    39   0.27300  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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
   38    49    44    45  10.50000 -1.0 2.0
   50    57    52    53  10.50000 -1.0 2.0
   52    60    57    58   1.10000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   66    77    68    69  10.50000 -1.0 2.0
END
