* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    166    260     494
    1     0 S   NP   _N1_     1    28.79111    93.99367   -22.42420
    2     1 S   H    _HN1     2     1.02793    97.50586  -105.46265
    3     1 S   H    _H1_     3     1.02945    87.30872     2.72577
    4     1 S   H    _H2_     4     1.02833    27.25342   139.73217
    5     1 S   CT   _CA1     5     1.50130   136.87921   120.22314
    6     5 S   HC   _HA1     6     1.09547   105.22988    68.77502
    7     5 S   CO3  _C1_     7     1.53933   112.47383   -51.71934
    8     7 S   O2Z  _O11     8     1.26423   115.00914   -38.20566
    9     7 S   O2Z  _O12     9     1.26226   115.19340   141.25874
   10     5 S   CT   _CB1    10     1.53163   107.46228  -172.76996
   11    10 S   HC   HB11    11     1.09820   109.95234   -44.02695
   12    10 S   HC   HB12    12     1.09815   110.22152    72.80761
   13    10 S   CT   _CG1    13     1.52958   112.40935  -164.77665
   14    13 S   HC   HG11    14     1.09401   110.56186   -58.29938
   15    13 S   HC   HG12    15     1.09658   109.78121    60.63094
   16    13 S   C    _CD1    16     1.51828   112.42369  -178.68225
   17    16 S   O    _OE1    17     1.22722   123.30028     3.36930
   18    16 S   N    _N2_    18     1.38628   111.67200  -176.83059
   19    18 S   H    _HN2    19     1.01639   118.78706     1.53621
   20    18 S   CT1  _CA2    20     1.46327   123.61428   178.96033
   21    20 S   HC   _HA2    21     1.09727   109.33872     4.98763
   22    20 S   C    _C2_    22     1.53521   108.88929  -110.75991
   23    22 S   O    _O2_    23     1.23073   122.18226  -148.42822
   24    20 S   CT   _CB2    32     1.53439   111.20838   126.93201
   25    24 S   HC   HB21    33     1.09328   109.39326    57.90948
   26    24 S   HC   HB22    34     1.09508   110.77218   176.18423
   27    22 S   N    _N3_    24     1.38299   113.82356    39.03433
   28    27 S   H    _HN3    25     1.01573   119.62607    -3.40088
   29    24 S   S    _SG2    35     1.82765   111.11795   -64.53308
   30    27 S   CT   _CA3    26     1.45291   123.17821   177.09910
   31    30 S   HC   HA31    27     1.09550   107.51173   -64.33538
   32    30 S   HC   HA32    28     1.09557   107.97411    52.08996
   33    29 S   CT   _C19    36     1.83167   100.57269   151.57883
   34    33 S   HC   _H21    37     1.09447   107.01760    57.08025
   35    33 S   HC   _H22    38     1.09601   106.12935   171.19190
   36    30 S   CO3  _C3_    29     1.52955   114.11292   174.07768
   37    36 S   O2Z  _O31    30     1.26371   116.08063    -0.94812
   38    36 S   O2Z  _O32    31     1.26434   114.40942   179.11089
   39    33 S   CT   _C18    39     1.54440   115.83242   -66.99655
   40    39 S   HC   _H8_    40     1.09567   108.30517    70.56053
   41    39 S   CO4  _C17    41     1.52195   110.43114   -45.86398
   42    41 S   O    _O36    42     1.22496   123.11577   113.99612
   43    39 S   CT   _C5_    69     1.56861   113.04866  -170.16821
   44    43 S   HC   _H3_    70     1.09677   106.73455    62.65180
   45    41 S   OS   _O35    43     1.36237   110.96544   -65.84745
   46    43 S   CT   _C4_    71     1.53771   110.66048   -52.66198
   47    46 S   HC   _H9_    72     1.09485   111.54543   -53.32331
   48    46 S   HC   _H10    73     1.09134   112.36198  -174.96495
   49    46 S   HC   _H11    74     1.09492   110.84670    66.64617
   50    45 S   CT   _C14    44     1.44006   116.57337   179.16702
   51    50 S   HC   _H7_    45     1.09575   110.38506    40.06731
   52    50 S   CT   _C15    46     1.52551   109.31604   -84.86342
   53    52 S   HC   _H17    47     1.09492   110.41505   168.88934
   54    52 S   HC   _H18    48     1.09254   113.61040    46.39934
   55    52 S   CT   _C16    49     1.51907   103.27683   -73.59861
   56    55 S   HC   _H19    50     1.09427   111.68641    78.93378
   57    55 S   HC   _H20    51     1.09306   113.53662  -155.39767
   58    55 S   NP   _N4_    52     1.50491   103.45385   -38.05515
   59    58 S   H    _H5_    53     1.02923   108.92118   -98.86734
   60    58 S   CT   _C12    54     1.51199   117.56064   137.05900
   61    60 S   HC   _H15    55     1.09344   107.16813   110.95630
   62    60 S   HC   _H16    56     1.09360   109.57360    -8.96598
   63    60 S   CM   _C11    57     1.49268   105.81796  -129.19183
   64    63 S   HC   _H14    58     1.08098   123.41978  -173.19228
   65    63 S   CM   _C10    59     1.34054   111.86088     6.48023
   66    65 S   CT   _C9_    60     1.48931   126.58615  -176.80267
   67    66 S   HC   _H12    61     1.09676   111.64599    20.30498
   68    66 S   HC   _H13    62     1.09556   109.76841   137.56758
   69    50 S   CT   _C13    85     1.53362   110.58070   163.11628
   70    69 S   HC   _H6_    86     1.09680   110.92476  -163.12117
   71    66 S   OS   _O34    63     1.43721   110.75488  -104.11529
   72    71 S   CO4  _C8_    64     1.36734   116.57005    96.02785
   73    72 S   O    _O33    65     1.22569   125.40970    -4.26540
   74    72 S   CT   _C7_    66     1.53356   110.91881   174.41458
   75    74 S   CT   _C6_    67     1.56291   111.87524    58.11872
   76    75 S   HC   _H4_    68     1.09655   105.48005   -63.96791
   77    74 S   CT   _C20    79     1.53538   107.84330   -66.24634
   78    77 S   HC   _H23    80     1.09512   111.54601  -165.45431
   79    77 S   HC   _H24    81     1.09501   111.79343    72.32645
   80    77 S   HC   _H25    82     1.09697   110.74631   -47.62616
   81    74 S   OH   _O37    83     1.42514   107.53696   178.60352
   82    81 S   HO   _H26    84     0.97301   108.22692    58.47297
   83    75 S   CT   _C21    75     1.53926   111.92469  -178.52329
   84    83 S   HC   _H27    76     1.09442   111.94826   -56.60322
   85    83 S   HC   _H28    77     1.09399   111.45519  -177.81439
   86    83 S   HC   _H29    78     1.09466   110.94706    63.72621
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  15   7  10   3  16   8  10   7   3   2
   1  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3
   7   8   4   3   2   1   6  11   4  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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    75    43    44    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    50    74    75    76    43    44    46    47    48    49    83  
   41    42    45    75    43    44    46  
   42    45    50    51    52    75    43    44    46    69  
   45    50    43  
   44    46    47    48    49    83    84    85    86    77    81    45    72    74    75    76  
   46    47    48    49    83    74    75    76  
   50    51    52    53    54    55    58    65    69    70  
   47    48    49    83    74    75    76  
   48    49    75  
   49    75  
   75  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    70  
   52    53    54    55    58    65    69    70  
   53    54    55    56    57    58    59    60    65    69    70  
   54    55    56    57    58    69  
   55    56    57    58    69  
   56    57    58    59    60    61    62    63    65    69    70  
   57    58    59    60    69  
   58    59    60    69  
   59    60    61    62    63    64    65    66    69    70  
   60    61    62    63    65    69    70  
   61    62    63    64    65    66    69    70  
   62    63    64    65    69  
   63    64    65    69  
   64    65    66    67    68    71    69    70  
   65    66    69  
   66    67    68    71    72    69    70  
   67    68    71    72    73    74    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75    77    81  
   73    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    69   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    43   268.000  1.529
   75    83   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   69    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    81.00000  111.40000
   39    43    75    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    45    50    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    50    51    35.00000  109.50000
   45    50    52    50.00000  109.50000
   45    50    69    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    69    58    80.00000  111.20000
   50    69    65    70.00000  112.02700
   50    69    70    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    69    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    75.00000  110.06800
   58    69    65    75.00000  110.06800
   58    69    70    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    69    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    71    85.00000  110.90400
   65    69    70    35.00000  109.50000
   66    71    72    83.00000  116.90000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    63.00000  111.10000
   72    74    77    63.00000  111.10000
   72    74    81    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    43    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    43    44    37.50000  110.70000
   75    43    46    58.35000  112.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    75    76    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   46    43    44    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    43    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    58    59    35.00000  109.50000
   69    58    60    75.00000  113.01200
   69    65    66    65.00000  117.92700
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    75   0.56750  1.0 1.0
   33    39    43    75  -0.07550 -1.0 2.0
   33    39    43    75   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    45    50   1.63150  1.0 1.0
   39    41    45    50   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    49   0.15000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    75   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    75  -0.95700  1.0 1.0
   41    39    43    75  -0.18200 -1.0 2.0
   41    39    43    75   0.29450  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    45    50    51   0.08050  1.0 3.0
   41    45    50    52  -0.25900  1.0 1.0
   41    45    50    52  -0.47000 -1.0 2.0
   41    45    50    52   0.11750  1.0 3.0
   41    45    50    69  -0.25900  1.0 1.0
   41    45    50    69  -0.47000 -1.0 2.0
   41    45    50    69   0.11750  1.0 3.0
   42    41    45    50   3.00000 -1.0 2.0
   45    50    52    53   0.23400  1.0 3.0
   45    50    52    54   0.23400  1.0 3.0
   45    50    52    55   0.62750  1.0 1.0
   45    50    52    55  -0.30950 -1.0 2.0
   45    50    52    55   0.27300  1.0 3.0
   45    50    69    58   1.69300  1.0 1.0
   45    50    69    58  -0.48450 -1.0 2.0
   45    50    69    65   0.61850  1.0 1.0
   45    50    69    65  -0.22750 -1.0 2.0
   45    50    69    65   0.15300  1.0 3.0
   45    50    69    70   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    69    58   0.19200  1.0 3.0
   51    50    69    65   0.15000  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   52    50   -69    58   1.36600  1.0 1.0
   52    50   -69    58  -0.11450 -1.0 2.0
   52    50   -69    58   0.24250  1.0 3.0
   52    50    69    65   0.34400  1.0 1.0
   52    50    69    65   0.09450 -1.0 2.0
   52    50    69    65   0.11100  1.0 3.0
   52    50    69    70   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    69   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.08000 -1.0 2.0
   55    58   -69    50   0.47100  1.0 1.0
   55    58    69    65   0.08000 -1.0 2.0
   55    58    69    70   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    69   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    69   0.15000  1.0 3.0
   58    60    63    64   0.00000  1.0 1.0
   58    60   -63    65   0.80850  1.0 1.0
   58    60   -63    65  -0.47300 -1.0 2.0
   58    60   -63    65  -0.52300  1.0 3.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    69    50   0.17350  1.0 3.0
   59    58    69    65   0.17350  1.0 3.0
   59    58    69    70   0.13050  1.0 3.0
   60    58    69    50   0.47100  1.0 1.0
   60    58   -69    65   0.08000 -1.0 2.0
   60    58    69    70   0.15000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63   -65    69   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    71   0.39000  1.0 1.0
   63    65    66    71  -0.05800 -1.0 2.0
   63    65    66    71  -0.55150  1.0 3.0
   63    65    69    50   0.09850  1.0 1.0
   63    65    69    50   0.15250 -1.0 2.0
   63    65    69    50  -0.50650  1.0 3.0
   63    65   -69    58   0.80850  1.0 1.0
   63    65   -69    58  -0.47300 -1.0 2.0
   63    65   -69    58  -0.52300  1.0 3.0
   63    65    69    70   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    69   7.00000 -1.0 2.0
   65    66    71    72  -0.82050  1.0 1.0
   65    66    71    72   0.00600 -1.0 2.0
   65    66    71    72   0.04400  1.0 3.0
   66    65    69    50   0.46850  1.0 1.0
   66    65    69    50   0.08550 -1.0 2.0
   66    65    69    50   0.09800  1.0 3.0
   66    65    69    58   0.52100  1.0 1.0
   66    65    69    58  -0.20350 -1.0 2.0
   66    65    69    58   0.29750  1.0 3.0
   66    65    69    70   0.34800  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   1.63150  1.0 1.0
   66    71    72    74   2.92000 -1.0 2.0
   67    66    71    72   0.08050  1.0 3.0
   68    66    71    72   0.08050  1.0 3.0
   71    72    74    75   0.36750  1.0 3.0
   71    72    74    77   0.36750  1.0 3.0
   71    72    74    81   0.30750  1.0 1.0
   71    72    74    81   1.13850 -1.0 2.0
   71    72    74    81   0.38850  1.0 3.0
   72    74    75    76  -0.11250  1.0 3.0
   72    74    75    43  -0.95700  1.0 1.0
   72    74    75    43  -0.18200 -1.0 2.0
   72    74    75    43   0.29450  1.0 3.0
   72    74    75    83  -0.95700  1.0 1.0
   72    74    75    83  -0.18200 -1.0 2.0
   72    74    75    83   0.29450  1.0 3.0
   72    74    77    78  -0.11250  1.0 3.0
   72    74    77    79  -0.11250  1.0 3.0
   72    74    77    80  -0.11250  1.0 3.0
   72    74    81    82   0.91850  1.0 1.0
   72    74    81    82   0.57950  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    77   0.30150 -1.0 2.0
   73    72    74    81   0.30150 -1.0 2.0
   74    75    43    39   0.56750  1.0 1.0
   74    75    43    39  -0.07550 -1.0 2.0
   74    75    43    39   0.20000  1.0 3.0
   74    75    43    44   0.15000  1.0 3.0
   74    75    43    46   0.56750  1.0 1.0
   74    75    43    46  -0.07550 -1.0 2.0
   74    75    43    46   0.20000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   75    43    46    47   0.15000  1.0 3.0
   75    43    46    48   0.15000  1.0 3.0
   75    43    46    49   0.15000  1.0 3.0
   76    75    43    39   0.15000  1.0 3.0
   76    75    43    44   0.15000  1.0 3.0
   76    75    43    46   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   0.15000  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    75    83    84   0.15000  1.0 3.0
   43    75    83    85   0.15000  1.0 3.0
   43    75    83    86   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   83    75    43    39   0.56750  1.0 1.0
   83    75    43    39  -0.07550 -1.0 2.0
   83    75    43    39   0.20000  1.0 3.0
   83    75    43    44   0.15000  1.0 3.0
   83    75    43    46   0.56750  1.0 1.0
   83    75    43    46  -0.07550 -1.0 2.0
   83    75    43    46   0.20000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    43   0.56750  1.0 1.0
   77    74    75    43  -0.07550 -1.0 2.0
   77    74    75    43   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    43   0.86500  1.0 1.0
   81    74    75    43  -0.17500 -1.0 2.0
   81    74    75    43   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  1.0 3.0
   69    50    52    53   0.15000  1.0 3.0
   69    50    52    54   0.15000  1.0 3.0
   69    50   -52    55   0.56750  1.0 1.0
   69    50   -52    55  -0.07550 -1.0 2.0
   69    50   -52    55   0.20000  1.0 3.0
   69    58    60    61   0.15000  1.0 3.0
   69    58    60    62   0.15000  1.0 3.0
   69    58   -60    63   0.08000 -1.0 2.0
   69    65    66    67   0.34800  1.0 3.0
   69    65    66    68   0.34800  1.0 3.0
   69    65    66    71   0.09700  1.0 1.0
   69    65    66    71   0.15600 -1.0 2.0
   69    65    66    71  -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
   37    30    36    38  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    69    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
