* LIGAND DATABASE FILE (OPLS2005)
*
001      88    93    162    264     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053    98.34372    24.50802
    3     1 S   H    _H1_     3     1.02122    35.82703   135.00237
    4     1 S   H    _H2_     4     1.02077    80.49025   -83.12651
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C25    36     1.84534    97.21431   161.85532
   34    33 S   HC   _H3_    37     1.11728   105.22412   -54.08335
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C23    38     1.56262   111.50031    59.97417
   39    38 S   OM   _O26    39     1.32523   111.74570    59.41765
   40    38 S   HC   _H42    40     1.10344   104.53562   -71.07220
   41    33 S   CO   _C26    49     1.56306   115.93968  -169.50928
   42    38 S   CA   _C9_    41     1.52204   108.14024   177.17950
   43    41 S   CT   _C24    50     1.55954   116.42380    54.08052
   44    43 S   HC   _H43    51     1.11747   110.31557   139.36156
   45    42 S   CA   _C4_    42     1.41067   119.59611   161.28027
   46    45 S   HA   _H39    43     1.08871   119.13807     0.83298
   47    43 S   CA   _C10    52     1.48154   100.49791  -103.77890
   48    43 S   OH   _O38    75     1.41126   114.40586    17.57854
   49    48 S   HO   _H54    76     0.97452   107.40128    65.79883
   50    45 S   CA   _C5_    44     1.40018   121.16189  -179.15582
   51    47 S   CA   _C12    53     1.38310   109.10525   -13.98949
   52    50 S   CA   _C8_    45     1.39386   119.40958     0.47478
   53    51 S   CA   _C14    54     1.38216   122.10250  -177.24494
   54    41 S   OS   _O33    74     1.46194   110.51611   -67.86504
   55    52 S   CA   _C15    46     1.39849   120.11137     0.09691
   56    53 S   CA   _C7_    55     1.40050   117.81153    -0.45154
   57    53 S   OH   _O36    72     1.35891   118.79297   179.24515
   58    57 S   HO   _H52    73     0.97146   110.39707  -179.75531
   59    52 S   CO4  _C20    79     1.48179   120.27899   179.79347
   60    59 S   O    _O29    80     1.22428   121.55393  -179.90721
   61    42 S   CA   _C11    47     1.40049   121.80344   -17.26579
   62    56 S   CA   _C6_    56     1.40585   120.42780     0.40638
   63    55 S   OH   _O37    77     1.36659   121.55543   179.32276
   64    63 S   HO   _H53    78     0.96885   109.97730     0.00000
   65    59 S   OS   _O34    81     1.36651   116.50799     0.08393
   66    61 S   OS   _O30    48     1.36698   124.49314     0.93565
   67    47 S   CA   _C13    57     1.38430   129.93625   169.12884
   68    62 S   CO4  _C18    60     1.47525   120.30143   179.86583
   69    68 S   O    _O27    61     1.22480   121.74109  -179.93439
   70    65 S   CM   _C22    82     1.41469   122.37191    -0.08623
   71    67 S   OH   _O35    58     1.35964   118.65869    -3.08616
   72    71 S   HO   _H51    59     0.97135   110.29420  -179.68041
   73    68 S   CM   _C17    62     1.47627   117.74956     0.11364
   74    73 S   HC   _H41    63     1.08573   116.94189   179.94405
   75    50 S   CM   _C16    83     1.45424   120.81737  -179.72732
   76    75 S   HC   _H40    84     1.08394   119.35957     0.09691
   77    70 S   CT   _C27    85     1.49324   113.95817  -179.96574
   78    77 S   HC   _H45    86     1.08902   109.83092   -90.01107
   79    77 S   HC   _H46    87     1.09067   109.82097   149.78860
   80    77 S   HC   _H47    88     1.09049   109.78813    30.20849
   81    73 S   CM   _C21    64     1.33522   122.31502    -0.11869
   82    56 S   CO4  _C19    65     1.47673   119.18170  -179.65395
   83    82 S   O    _O28    66     1.22585   121.25986    -0.00000
   84    81 S   OS   _O39    67     1.37997   120.44646   179.98022
   85    84 S   CT   _C28    68     1.40727   112.63155   -89.96946
   86    85 S   HC   _H48    69     1.09236   109.55928  -180.00000
   87    85 S   HC   _H49    70     1.09304   109.48991    59.18933
   88    85 S   HC   _H50    71     1.09325   108.98201   -60.39372
  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
  15   8   2   1   1  12   5   4  13   9  12   7  10   4  13   5
   1  11  10  11  10   5   8  12   3   1   7   2   3  10   2   1
   7   1   6   7   3   6   1   1   6   3   5   1   3   2   1   1
   7   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    41    43    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    45    61    66    41    43    44    47    51    54    48  
   38    39    40    42    66    41    43    54  
   36    37  
   37  
    0  
   39    40    42    45    46    50    55    61    66    41    43    54  
   40    42    45    61    41  
   42    45    61    41  
   43    44    47    51    53    67    54    48    49    42    55    61    66  
   45    46    50    52    55    61    66    63    75  
   44    47    51    53    62    67    71    54    48    49    61    66  
   47    51    67    54    48    49    66  
   46    50    52    55    61    66    59    70    75    76  
   50    52    61    75  
   51    53    56    62    67    71    72    68    57    54    48    49    66  
   49    51    54    66    67  
    0  
   52    55    61    63    59    60    65    70    75    76    77  
   53    56    62    67    71    82    57    58    54    66  
   55    61    66    63    64    59    60    65    70    75    76  
   56    62    67    68    81    82    83    57    58    54  
   56    57    61    66    67  
   61    66    63    64    59    60    65    75  
   62    67    71    68    69    73    81    82    83    84    57    58  
   58    62    82  
    0  
   60    65    70    75    77    61    63  
   65    70  
   66    63    64  
   67    71    72    68    69    73    74    81    82    83  
   64    66  
    0  
   70    75    76    77    78    79    80  
    0  
   71    72    68    69    73    82  
   69    73    74    81    82    84    71  
   73    74    81  
   75    76    77    78    79    80  
   72  
    0  
   74    81    82    83    84    85  
   81    82    84  
   76    77    78    79    80  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85  
   84  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   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   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   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    41   250.000  1.527
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   317.000  1.510
   42    45   469.000  1.400
   42    61   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    52   469.000  1.400
   50    75   320.000  1.460
   52    55   469.000  1.400
   52    59   310.000  1.470
   55    61   469.000  1.400
   55    63   450.000  1.364
   61    66   450.000  1.364
   66    41   320.000  1.380
   41    43   250.000  1.527
   41    54   320.000  1.380
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   320.000  1.410
   47    51   469.000  1.400
   47    67   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    56   469.000  1.400
   53    57   450.000  1.364
   56    62   469.000  1.400
   56    82   310.000  1.470
   62    67   469.000  1.400
   62    68   310.000  1.470
   67    71   450.000  1.364
   71    72   553.000  0.945
   68    69   570.000  1.229
   68    73   320.000  1.462
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    82   320.000  1.462
   81    84   440.000  1.360
   82    83   570.000  1.229
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   57    58   553.000  0.945
   48    49   553.000  0.945
   63    64   553.000  0.945
   59    60   570.000  1.229
   59    65   214.000  1.327
   65    70   440.000  1.360
   70    75   549.000  1.340
   70    77   317.000  1.510
   75    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    41    66    90.00000  108.56700
   33    41    43    65.00000  112.71400
   33    41    54    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    42    45    70.00000  120.00000
   38    42    61    70.00000  120.00000
   40    38    39    45.00000  125.66300
   42    38    39    85.00000  111.85700
   42    38    40    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    61    55    63.00000  120.00000
   42    61    66    70.00000  120.00000
   45    50    52    63.00000  120.00000
   45    50    75    60.00000  120.93500
   50    45    46    35.00000  120.00000
   50    52    55    63.00000  120.00000
   50    52    59    60.00000  119.52600
   50    75    70    60.00000  123.20500
   50    75    76    40.00000  117.26300
   52    55    61    63.00000  120.00000
   52    55    63    70.00000  120.00000
   52    59    60    75.00000  123.78400
   52    59    65    81.00000  111.40000
   55    61    66    70.00000  120.00000
   55    63    64    35.00000  113.00000
   61    42    45    63.00000  120.00000
   61    66    41   100.00000  112.36700
   66    41    43    90.00000  108.56700
   66    41    54    92.60000  111.55000
   41    33    34    45.00000  108.72000
   41    33    38    75.00000  109.43000
   41    43    44    45.00000  108.72000
   41    43    47    70.00000  112.17500
   41    43    48    90.00000  111.58700
   41    54    51   100.00000  112.36700
   43    47    51    70.00000  120.00000
   43    47    67    70.00000  120.00000
   43    48    49    55.00000  108.50000
   47    43    44    35.00000  109.50000
   47    51    53    63.00000  120.00000
   47    51    54    70.00000  120.00000
   47    67    62    63.00000  120.00000
   47    67    71    70.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    57    70.00000  120.00000
   53    56    62    63.00000  120.00000
   53    56    82    60.00000  119.52600
   53    57    58    35.00000  113.00000
   56    62    67    63.00000  120.00000
   56    62    68    60.00000  119.52600
   56    82    81    65.00000  117.02400
   56    82    83    75.00000  123.78400
   62    67    71    70.00000  120.00000
   62    68    69    75.00000  123.78400
   62    68    73    65.00000  117.02400
   67    47    51    63.00000  120.00000
   67    71    72    35.00000  113.00000
   68    62    67    60.00000  119.52600
   68    73    74    40.00000  117.72500
   68    73    81    65.00000  118.96000
   73    68    69    80.00000  123.72100
   73    81    82    65.00000  118.96000
   73    81    84    80.00000  120.01400
   81    73    74    35.00000  120.00000
   81    82    83    80.00000  123.72100
   81    84    85    90.00000  111.18400
   82    56    62    60.00000  119.52600
   84    81    82    85.00000  116.28000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   57    53    56    70.00000  120.00000
   54    41    43    90.00000  108.56700
   54    51    53    70.00000  120.00000
   48    43    44    35.00000  109.50000
   48    43    47    90.00000  112.51600
   63    55    61    70.00000  120.00000
   59    52    55    60.00000  119.52600
   59    65    70    90.00000  114.22900
   65    59    60    83.00000  123.40000
   65    70    75    80.00000  120.01400
   65    70    77    85.00000  112.85300
   70    75    76    35.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   75    50    52    60.00000  120.93500
   77    70    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    66   0.56750  1.0 1.0
   29    33    41    66  -0.07550 -1.0 2.0
   29    33    41    66   0.20000  1.0 3.0
   29    33    41    43   0.44750  1.0 1.0
   29    33    41    43  -0.17800 -1.0 2.0
   29    33    41    43   0.20200  1.0 3.0
   29    33    41    54   0.56750  1.0 1.0
   29    33    41    54  -0.07550 -1.0 2.0
   29    33    41    54   0.20000  1.0 3.0
   33    38    42    45   0.04150 -1.0 2.0
   33    38    42    61   0.04150 -1.0 2.0
   33    41    43    44   0.15000  1.0 3.0
   33    41    43    47  -0.03700  1.0 1.0
   33    41    43    47   0.37200 -1.0 2.0
   33    41    43    47  -0.47300  1.0 3.0
   33    41    43    48   0.86500  1.0 1.0
   33    41    43    48  -0.17500 -1.0 2.0
   33    41    43    48   0.20800  1.0 3.0
   33    41    54    51  -0.32850  1.0 1.0
   33    41    54    51  -0.35800 -1.0 2.0
   33    41    54    51   0.33950  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    41    66   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    54   0.23400  1.0 3.0
   38    33    41    66   0.62750  1.0 1.0
   38    33    41    66  -0.30950 -1.0 2.0
   38    33    41    66   0.27300  1.0 3.0
   38    33    41    43   0.56750  1.0 1.0
   38    33    41    43  -0.07550 -1.0 2.0
   38    33    41    43   0.20000  1.0 3.0
   38    33    41    54   0.62750  1.0 1.0
   38    33    41    54  -0.30950 -1.0 2.0
   38    33    41    54   0.27300  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   38    42    61    55   3.62500 -1.0 2.0
   38    42   -61    66   3.62500 -1.0 2.0
   39    38    42    45   0.64500  1.0 1.0
   39    38    42    45   0.14800 -1.0 2.0
   39    38    42    45   0.20650  1.0 3.0
   39    38    42    61   0.64500  1.0 1.0
   39    38    42    61   0.14800 -1.0 2.0
   39    38    42    61   0.20650  1.0 3.0
   40    38    42    45   0.00000  1.0 1.0
   40    38    42    61   0.00000  1.0 1.0
   42    45    50    52   3.62500 -1.0 2.0
   42    45    50    75   3.62500 -1.0 2.0
   42    61    66    41   1.63200 -1.0 2.0
   45    42    61    55   3.62500 -1.0 2.0
   45    42    61    66   3.62500 -1.0 2.0
   45    50   -52    55   3.62500 -1.0 2.0
   45    50    52    59   3.62500 -1.0 2.0
   45    50    75    70   0.15800  1.0 1.0
   45    50    75    70   1.85350 -1.0 2.0
   45    50    75    70  -0.48700  1.0 3.0
   45    50    75    76   0.56550  1.0 3.0
   46    45    50    52   3.62500 -1.0 2.0
   46    45    50    75   3.62500 -1.0 2.0
   50    52    55    61   3.62500 -1.0 2.0
   50    52    55    63   3.62500 -1.0 2.0
   50    52    59    60   1.05000 -1.0 2.0
   50    52    59    65   0.98750 -1.0 2.0
   52    50    75    70   0.15800  1.0 1.0
   52    50    75    70   1.85350 -1.0 2.0
   52    50    75    70  -0.48700  1.0 3.0
   52    50    75    76   0.56550  1.0 3.0
   52    55   -61    42   3.62500 -1.0 2.0
   52    55    61    66   3.62500 -1.0 2.0
   52    55    63    64   0.84100 -1.0 2.0
   52    59   -65    70   2.00000 -1.0 2.0
   55    52    59    60   1.05000 -1.0 2.0
   55    52    59    65   0.98750 -1.0 2.0
   55    61    66    41   1.63200 -1.0 2.0
   61    42    45    46   3.62500 -1.0 2.0
   61    42   -45    50   3.62500 -1.0 2.0
   61    55    63    64   0.84100 -1.0 2.0
   61    66   -41    33  -0.32850  1.0 1.0
   61    66   -41    33  -0.35800 -1.0 2.0
   61    66   -41    33   0.33950  1.0 3.0
   61    66    41    43  -0.32850  1.0 1.0
   61    66    41    43  -0.35800 -1.0 2.0
   61    66    41    43   0.33950  1.0 3.0
   61    66    41    54  -0.25600  1.0 1.0
   61    66    41    54  -0.40050 -1.0 2.0
   61    66    41    54   0.34700  1.0 3.0
   66    41    43    44   0.23400  1.0 3.0
   66    41    43    47  -0.64350  1.0 1.0
   66    41    43    47  -0.04200 -1.0 2.0
   66    41    43    47   0.19800  1.0 3.0
   66    41    43    48   3.69350  1.0 1.0
   66    41    43    48  -1.82950 -1.0 2.0
   66    41    54    51  -0.25600  1.0 1.0
   66    41    54    51  -0.40050 -1.0 2.0
   66    41    54    51   0.34700  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42  -0.03700  1.0 1.0
   41    33   -38    42   0.37200 -1.0 2.0
   41    33   -38    42  -0.47300  1.0 3.0
   41    43   -47    51   0.04150 -1.0 2.0
   41    43    47    67   0.04150 -1.0 2.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   43    41   -54    51  -0.32850  1.0 1.0
   43    41   -54    51  -0.35800 -1.0 2.0
   43    41   -54    51   0.33950  1.0 3.0
   43    47    51    53   3.62500 -1.0 2.0
   43    47   -51    54   3.62500 -1.0 2.0
   43    47    67    62   3.62500 -1.0 2.0
   43    47    67    71   3.62500 -1.0 2.0
   44    43    47    51   0.00000  1.0 1.0
   44    43    47    67   0.00000  1.0 1.0
   44    43    48    49   0.19450  1.0 3.0
   47    43    48    49   0.31900  1.0 1.0
   47    43    48    49  -0.11800 -1.0 2.0
   47    43    48    49   0.38750  1.0 3.0
   47    51    53    56   3.62500 -1.0 2.0
   47    51    53    57   3.62500 -1.0 2.0
   47    51   -54    41   1.63200 -1.0 2.0
   47    67    71    72   0.84100 -1.0 2.0
   51    47    67    62   3.62500 -1.0 2.0
   51    47    67    71   3.62500 -1.0 2.0
   51    53   -56    62   3.62500 -1.0 2.0
   51    53    56    82   3.62500 -1.0 2.0
   51    53    57    58   0.84100 -1.0 2.0
   53    51    54    41   1.63200 -1.0 2.0
   53    56    62    67   3.62500 -1.0 2.0
   53    56    62    68   3.62500 -1.0 2.0
   53    56    82    81  -0.11500  1.0 1.0
   53    56    82    81   1.10450 -1.0 2.0
   53    56    82    81  -0.48050  1.0 3.0
   53    56    82    83   1.05000 -1.0 2.0
   56    53    57    58   0.84100 -1.0 2.0
   56    62   -67    47   3.62500 -1.0 2.0
   56    62    67    71   3.62500 -1.0 2.0
   56    62    68    69   1.05000 -1.0 2.0
   56    62    68    73  -0.11500  1.0 1.0
   56    62    68    73   1.10450 -1.0 2.0
   56    62    68    73  -0.48050  1.0 3.0
   62    56    82    81  -0.11500  1.0 1.0
   62    56    82    81   1.10450 -1.0 2.0
   62    56    82    81  -0.48050  1.0 3.0
   62    56    82    83   1.05000 -1.0 2.0
   62    67    71    72   0.84100 -1.0 2.0
   62    68    73    74   1.64500 -1.0 2.0
   62    68   -73    81  -1.65800  1.0 1.0
   62    68   -73    81   0.77650 -1.0 2.0
   67    47   -51    53   3.62500 -1.0 2.0
   67    47    51    54   3.62500 -1.0 2.0
   67    62    68    69   1.05000 -1.0 2.0
   67    62    68    73  -0.11500  1.0 1.0
   67    62    68    73   1.10450 -1.0 2.0
   67    62    68    73  -0.48050  1.0 3.0
   68    62    67    47   3.62500 -1.0 2.0
   68    62    67    71   3.62500 -1.0 2.0
   68    73    81    82   7.00000 -1.0 2.0
   68    73    81    84   7.00000 -1.0 2.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    81   1.00000 -1.0 2.0
   73    81   -82    56  -1.65800  1.0 1.0
   73    81   -82    56   0.77650 -1.0 2.0
   73    81    82    83   1.00000 -1.0 2.0
   73    81    84    85  -2.26850  1.0 1.0
   73    81    84    85   3.39050 -1.0 2.0
   74    73    81    82   7.00000 -1.0 2.0
   74    73    81    84   7.00000 -1.0 2.0
   81    84    85    86   0.08050  1.0 3.0
   81    84    85    87   0.08050  1.0 3.0
   81    84    85    88   0.08050  1.0 3.0
   82    56    62    67   3.62500 -1.0 2.0
   82    56   -62    68   3.62500 -1.0 2.0
   82    81    84    85   0.15100 -1.0 2.0
   84    81    82    56   1.50000 -1.0 2.0
   84    81    82    83  -0.11900  1.0 1.0
   84    81    82    83   0.76850 -1.0 2.0
   84    81    82    83   0.14100  1.0 3.0
   57    53    56    62   3.62500 -1.0 2.0
   57    53    56    82   3.62500 -1.0 2.0
   54    41    43    44   0.23400  1.0 3.0
   54    41   -43    47  -0.64350  1.0 1.0
   54    41   -43    47  -0.04200 -1.0 2.0
   54    41   -43    47   0.19800  1.0 3.0
   54    41    43    48   3.69350  1.0 1.0
   54    41    43    48  -1.82950 -1.0 2.0
   54    51    53    56   3.62500 -1.0 2.0
   54    51    53    57   3.62500 -1.0 2.0
   48    43    47    51   0.14300 -1.0 2.0
   48    43    47    51   0.00300  1.0 3.0
   48    43    47    67   0.14300 -1.0 2.0
   48    43    47    67   0.00300  1.0 3.0
   63    55    61    42   3.62500 -1.0 2.0
   63    55    61    66   3.62500 -1.0 2.0
   59    52    55    61   3.62500 -1.0 2.0
   59    52    55    63   3.62500 -1.0 2.0
   59    65    70    75  -1.93650  1.0 1.0
   59    65    70    75   2.17750 -1.0 2.0
   59    65    70    75  -0.40250  1.0 3.0
   59    65    70    77   2.00000 -1.0 2.0
   60    59    65    70   3.00000 -1.0 2.0
   65    70   -75    50   7.00000 -1.0 2.0
   65    70    75    76   7.00000 -1.0 2.0
   65    70    77    78   0.00000  1.0 1.0
   65    70    77    79   0.00000  1.0 1.0
   65    70    77    80   0.00000  1.0 1.0
   75    50    52    55   3.62500 -1.0 2.0
   75    50   -52    59   3.62500 -1.0 2.0
   75    70    77    78   0.00000  1.0 1.0
   75    70    77    79   0.00000  1.0 1.0
   75    70    77    80   0.00000  1.0 1.0
   77    70    75    50   7.00000 -1.0 2.0
   77    70    75    76   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   45    61    42    38   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   52    75    50    45   4.00000 -1.0 2.0
   55    59    52    50   4.00000 -1.0 2.0
   61    63    55    52   4.00000 -1.0 2.0
   55    66    61    42   4.00000 -1.0 2.0
   51    67    47    43   4.00000 -1.0 2.0
   53    54    51    47   4.00000 -1.0 2.0
   56    57    53    51   4.00000 -1.0 2.0
   62    82    56    53   4.00000 -1.0 2.0
   67    68    62    56   4.00000 -1.0 2.0
   62    71    67    47   4.00000 -1.0 2.0
   62    73    68    69  10.50000 -1.0 2.0
   68    74    73    81   1.10000 -1.0 2.0
   82    84    81    73   1.10000 -1.0 2.0
   56    81    82    83  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   65    77    70    75   1.10000 -1.0 2.0
   50    76    75    70   1.10000 -1.0 2.0
END
