* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    168    251     476
    1     0 S   NP   _N1_     1    28.61135    93.25715   -21.20602
    2     1 S   H    _HN1     2     1.02949    98.30656    27.87784
    3     1 S   H    _H1_     3     1.02841    24.81293   140.74675
    4     1 S   H    _H2_     4     1.02784    89.39678   -80.46131
    5     1 S   CT   _CA1     5     1.50169   134.74221   158.09364
    6     5 S   HC   _HA1     6     1.09567   105.30396    51.31127
    7     5 S   CO3  _C1_     7     1.53813   112.15966   -69.02881
    8     7 S   O2Z  _O11     8     1.26361   115.05032   -49.04384
    9     7 S   O2Z  _O12     9     1.26229   114.88808   130.10925
   10     5 S   CT   _CB1    10     1.53023   107.44048   169.19240
   11    10 S   HC   HB11    11     1.09818   109.52788   -50.44134
   12    10 S   HC   HB12    12     1.09665   110.28466    66.13609
   13    10 S   CT   _CG1    13     1.53006   112.99571  -171.89526
   14    13 S   HC   HG11    14     1.09586   110.42279   -58.64115
   15    13 S   HC   HG12    15     1.09604   110.23710    60.75909
   16    13 S   C    _CD1    16     1.51826   111.72069  -178.94724
   17    16 S   O    _OE1    17     1.22771   123.08524   -10.37265
   18    16 S   N    _N2_    18     1.38626   111.90797   169.90091
   19    18 S   H    _HN2    19     1.01584   119.20906     1.80211
   20    18 S   CT1  _CA2    20     1.46181   123.07111  -177.41071
   21    20 S   HC   _HA2    21     1.09738   109.25199   -11.72830
   22    20 S   C    _C2_    22     1.53410   108.71447  -127.49927
   23    22 S   O    _O2_    23     1.23031   122.16043  -147.17697
   24    20 S   CT   _CB2    32     1.53567   111.75444   110.00541
   25    24 S   HC   HB21    33     1.09412   109.60226    58.66216
   26    24 S   HC   HB22    34     1.09501   109.75522   177.64441
   27    22 S   N    _N3_    24     1.38483   113.43870    40.26813
   28    27 S   H    _HN3    25     1.01524   118.91388    -0.63980
   29    24 S   S    _SG2    35     1.82519   111.95838   -61.70206
   30    27 S   CT   _CA3    26     1.45449   123.44064   175.09148
   31    30 S   HC   HA31    27     1.09524   109.23747    24.46642
   32    30 S   HC   HA32    28     1.09496   107.12520   141.46870
   33    29 S   CT   _C16    36     1.85011   100.64982  -163.13244
   34    33 S   HC   _H6_    37     1.09421   105.53998    53.48078
   35    30 S   CO3  _C3_    29     1.52923   113.10142   -99.01016
   36    35 S   O2Z  _O31    30     1.26404   115.39528   -44.75748
   37    35 S   O2Z  _O32    31     1.26354   114.99184   136.17098
   38    33 S   C3T  _C12    38     1.51610   104.58439   168.49648
   39    38 S   HC   _H5_    39     1.08782   111.43328    62.48412
   40    33 S   CT   _C17    79     1.55001   116.23647   -69.45392
   41    40 S   HC   _H7_    80     1.09940   108.52433  -160.43626
   42    38 S   C3T  _C11    40     1.51792   120.34329   -80.81015
   43    42 S   HC   _H4_    41     1.08674   117.11856    -6.95770
   44    40 S   CO4  _C19    81     1.52355   111.69973    84.64864
   45    44 S   O    _O36    82     1.22404   124.92403  -119.50754
   46    40 S   CT   _C18    88     1.53240   115.19586   -42.27102
   47    46 S   HC   _H19    89     1.09476   112.29678    67.96925
   48    46 S   HC   _H20    90     1.09404   111.52021   -54.14395
   49    46 S   HC   _H21    91     1.09635   110.18184  -173.28946
   50    38 S   C3T  _C13    42     1.52364   123.14931  -152.78937
   51    42 S   CO4  _C10    51     1.48025   119.74603   135.16955
   52    51 S   O    _O35    52     1.22230   122.02929   134.35040
   53    44 S   OS   _O37    83     1.36594   109.76852    61.79768
   54    50 S   CT   _C14    43     1.50978   116.52627  -140.65465
   55    54 S   HC   _H13    44     1.09518   110.14211    90.10664
   56    54 S   HC   _H14    45     1.09517   112.48176   -29.76398
   57    54 S   HC   _H15    46     1.09494   110.34638  -150.39848
   58    50 S   CT   _C15    47     1.50863   120.76972     3.29491
   59    58 S   HC   _H16    48     1.09467   110.40344   -79.12803
   60    58 S   HC   _H17    49     1.09537   110.11575   161.60843
   61    58 S   HC   _H18    50     1.09414   112.81830    41.96948
   62    51 S   OS   _O34    53     1.36001   111.14537   -47.48370
   63    53 S   CT   _C20    84     1.43051   115.27248  -179.48490
   64    63 S   HC   _H22    85     1.09325   108.09091   178.87848
   65    63 S   HC   _H23    86     1.09434   110.29214    60.21786
   66    63 S   HC   _H24    87     1.09414   110.26332   -62.42318
   67    62 S   CT   _C9_    54     1.43592   116.83641   179.46514
   68    67 S   HC   _H3_    55     1.09676   110.47101   -44.43257
   69    67 S   CM   _C5_    56     1.50590   107.85352  -165.69404
   70    69 S   CM   _C6_    57     1.34059   114.62372  -115.19380
   71    69 S   CT   _C4_    75     1.49383   118.58208    64.29136
   72    71 S   HC   _H8_    76     1.09465   110.44625   -62.89305
   73    71 S   HC   _H9_    77     1.09297   112.62518   176.65772
   74    71 S   HC   _H10    78     1.09477   110.10738    56.78700
   75    70 S   CO4  _C7_    58     1.47676   105.51197     0.28667
   76    75 S   O    _O33    59     1.22266   123.60663   177.38281
   77    70 S   CT   _C21    63     1.48860   131.62076   177.17291
   78    77 S   HC   _H25    64     1.09247   110.15196   -19.74767
   79    77 S   HC   _H26    65     1.09738   109.22180  -134.51755
   80    67 S   CT   _C8_    60     1.52577   110.92474    80.08822
   81    80 S   HC   _H11    61     1.09333   113.24844    -7.39316
   82    80 S   HC   _H12    62     1.09433   111.15654  -132.77084
   83    77 S   CM   _C22    66     1.50244   112.33576   105.39607
   84    83 S   HC   _H27    67     1.09015   115.07915    65.03127
   85    83 S   CM   _C23    68     1.34255   128.29275  -116.27131
   86    85 S   HC   _H28    69     1.08922   117.10257  -179.06205
   87    85 S   CM   _C24    70     1.44402   126.87211     1.22987
   88    87 S   HC   _H29    71     1.08483   118.98680     1.91959
   89    87 S   CM   _C25    72     1.33819   123.04901  -178.47787
   90    89 S   HC   _H30    73     1.08525   120.20934  -179.78330
   91    89 S   HC   _H31    74     1.08495   122.18369     0.16313
  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
  18   8   2   1   1  19   7  11   7  14   6  10   3   4   2   1
   1  11   8   2   4   7   3   2   1   3   2   1   1   9   3   2
   1   1  13   7  14  15   6   2   1   1   8   4   8   4   3   2
   1   1   6   3   6   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    50    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    54    58    51    40    41    44    45    53    46    47    48    49  
   38    39    42    50    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    50    54    55    56    57    58    59    60    61    51    52    62    40    41    44    46  
   42    43    50    54    58    51    40  
   41    44    45    53    63    46    47    48    49    42    50  
   44    45    53    46    47    48    49  
   43    50    54    55    56    57    58    59    60    61    51    52    62    67  
   50    54    58    51    52    62  
   45    53    63    64    65    66    46    47    48    49  
   53    63    46  
   47    48    49    53  
   48    49  
   49  
    0  
   54    55    56    57    58    59    60    61    51    52    62  
   52    62    67    68    69    80    54    58  
   62    67  
   63    64    65    66  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   67    68    69    70    75    80    81    82    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    75    76    80    81    82    77    71    72    73    74  
   69    70    75    80    81    82    71  
   70    75    76    80    81    82    77    78    79    83    71    72    73    74  
   75    76    80    81    82    77    78    79    83    84    85    71    72    73    74  
   72    73    74    75    77    80  
   73    74  
   74  
    0  
   76    80    81    82    77    78    79    83  
   80    81    82    77  
   78    79    83    84    85    86    87    80  
   79    83    84    85  
   83    84    85  
   81    82  
   82  
    0  
   84    85    86    87    88    89  
   85    86    87  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.180000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0300   0.115000   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   275.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.088
   38    42   260.000  1.509
   38    50   260.000  1.509
   42    43   340.000  1.088
   42    50   260.000  1.509
   42    51   290.000  1.496
   50    54   275.000  1.510
   50    58   275.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    52   570.000  1.229
   51    62   214.000  1.327
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    80   268.000  1.529
   69    70   549.000  1.340
   69    71   317.000  1.510
   70    75   320.000  1.462
   70    77   317.000  1.510
   75    76   570.000  1.229
   75    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   317.000  1.510
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   85    87   380.000  1.444
   87    88   340.000  1.080
   87    89   549.000  1.340
   89    90   340.000  1.080
   89    91   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   268.000  1.529
   44    45   570.000  1.229
   44    53   214.000  1.327
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    40.00000  115.04500
   33    38    42    60.00000  120.94000
   33    38    50    60.00000  120.94000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    46    58.35000  112.70000
   38    33    34    45.00000  109.38400
   38    42    43    37.50000  117.20000
   38    42    50    10.00000   60.00500
   38    42    51    65.00000  117.18000
   38    50    42    10.00000   60.00500
   38    50    54    60.00000  120.94000
   38    50    58    60.00000  120.94000
   42    38    39    37.50000  117.20000
   42    50    54    60.00000  120.94000
   42    50    58    60.00000  120.94000
   42    51    52    75.00000  121.36600
   42    51    62    81.00000  111.40000
   50    38    39    37.50000  117.20000
   50    38    42    10.00000   60.00500
   50    42    43    37.50000  117.20000
   50    54    55    45.00000  109.38400
   50    54    56    45.00000  109.38400
   50    54    57    45.00000  109.38400
   50    58    59    45.00000  109.38400
   50    58    60    45.00000  109.38400
   50    58    61    45.00000  109.38400
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    42    43    40.00000  116.18000
   51    42    50    65.00000  117.18000
   51    62    67    83.00000  116.90000
   62    51    52    83.00000  123.40000
   62    67    68    35.00000  109.50000
   62    67    69    85.00000  110.90400
   62    67    80    50.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    71    65.00000  117.92700
   67    80    75    63.00000  111.10000
   67    80    81    37.50000  110.70000
   67    80    82    37.50000  110.70000
   69    67    68    35.00000  109.50000
   69    70    75    65.00000  118.96000
   69    70    77    70.00000  124.00000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   70    75    76    80.00000  123.72100
   70    75    80    65.00000  118.62400
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    83    70.00000  110.12100
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   80    67    68    37.50000  110.70000
   80    67    69    70.00000  112.02700
   80    75    76    80.00000  120.40000
   82    80    81    33.00000  107.80000
   77    70    75    65.00000  116.34900
   77    83    84    35.00000  117.00000
   77    83    85    70.00000  124.00000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   83    85    86    35.00000  120.00000
   83    85    87    70.00000  123.01800
   85    83    84    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    70.00000  123.01800
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    35.00000  120.00000
   89    87    88    35.00000  120.00000
   91    89    90    35.00000  117.00000
   71    69    70    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.37300
   40    44    45    80.00000  120.40000
   40    44    53    81.00000  111.40000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    53    63    83.00000  116.90000
   53    44    45    83.00000  123.40000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38   -42    50   0.07850  1.0 1.0
   33    38   -42    50  -0.03950 -1.0 2.0
   33    38   -42    50   0.67350  1.0 3.0
   33    38    42    51  -0.95700  1.0 1.0
   33    38    42    51  -0.18200 -1.0 2.0
   33    38    42    51   0.29450  1.0 3.0
   33    38   -50    42   0.07850  1.0 1.0
   33    38   -50    42  -0.03950 -1.0 2.0
   33    38   -50    42   0.67350  1.0 3.0
   33    38    50    54   0.56750  1.0 1.0
   33    38    50    54  -0.07550 -1.0 2.0
   33    38    50    54   0.20000  1.0 3.0
   33    38    50    58   0.56750  1.0 1.0
   33    38    50    58  -0.07550 -1.0 2.0
   33    38    50    58   0.20000  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    53   0.36750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.95700  1.0 1.0
   38    33    40    44  -0.18200 -1.0 2.0
   38    33    40    44   0.29450  1.0 3.0
   38    33    40    46   0.47050  1.0 1.0
   38    33    40    46   0.03900 -1.0 2.0
   38    33    40    46   0.20100  1.0 3.0
   38    42   -50    54   0.07850  1.0 1.0
   38    42   -50    54  -0.03950 -1.0 2.0
   38    42   -50    54   0.67350  1.0 3.0
   38    42   -50    58   0.07850  1.0 1.0
   38    42   -50    58  -0.03950 -1.0 2.0
   38    42   -50    58   0.67350  1.0 3.0
   38    42    51    52   0.30150 -1.0 2.0
   38    42    51    62   0.36750  1.0 3.0
   38    50    54    55   0.15000  1.0 3.0
   38    50    54    56   0.15000  1.0 3.0
   38    50    54    57   0.15000  1.0 3.0
   38    50    58    59   0.15000  1.0 3.0
   38    50    58    60   0.15000  1.0 3.0
   38    50    58    61   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38   -42    50   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38   -50    42   0.15000  1.0 3.0
   39    38    50    54   0.15000  1.0 3.0
   39    38    50    58   0.15000  1.0 3.0
   42    38   -50    54   0.07850  1.0 1.0
   42    38   -50    54  -0.03950 -1.0 2.0
   42    38   -50    54   0.67350  1.0 3.0
   42    38   -50    58   0.07850  1.0 1.0
   42    38   -50    58  -0.03950 -1.0 2.0
   42    38   -50    58   0.67350  1.0 3.0
   42    50    54    55   0.15000  1.0 3.0
   42    50    54    56   0.15000  1.0 3.0
   42    50    54    57   0.15000  1.0 3.0
   42    50    58    59   0.15000  1.0 3.0
   42    50    58    60   0.15000  1.0 3.0
   42    50    58    61   0.15000  1.0 3.0
   42    51    62    67   1.63150  1.0 1.0
   42    51    62    67   2.92000 -1.0 2.0
   43    42   -50    38   0.15000  1.0 3.0
   43    42    50    54   0.15000  1.0 3.0
   43    42    50    58   0.15000  1.0 3.0
   43    42    51    52   0.50000  1.0 3.0
   43    42    51    62   0.00000  1.0 1.0
   50    38   -42    43   0.15000  1.0 3.0
   50    38   -42    51  -0.95700  1.0 1.0
   50    38   -42    51  -0.18200 -1.0 2.0
   50    38   -42    51   0.29450  1.0 3.0
   50    42    51    52   0.30150 -1.0 2.0
   50    42    51    62   0.36750  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   0.15000  1.0 3.0
   51    42   -50    38  -0.95700  1.0 1.0
   51    42   -50    38  -0.18200 -1.0 2.0
   51    42   -50    38   0.29450  1.0 3.0
   51    42    50    54  -0.95700  1.0 1.0
   51    42    50    54  -0.18200 -1.0 2.0
   51    42    50    54   0.29450  1.0 3.0
   51    42    50    58  -0.95700  1.0 1.0
   51    42    50    58  -0.18200 -1.0 2.0
   51    42    50    58   0.29450  1.0 3.0
   51    62    67    68   0.08050  1.0 3.0
   51    62    67    69  -0.82050  1.0 1.0
   51    62    67    69   0.00600 -1.0 2.0
   51    62    67    69   0.04400  1.0 3.0
   51    62    67    80  -0.25900  1.0 1.0
   51    62    67    80  -0.47000 -1.0 2.0
   51    62    67    80   0.11750  1.0 3.0
   52    51    62    67   3.00000 -1.0 2.0
   62    67    69    70   0.39000  1.0 1.0
   62    67    69    70  -0.05800 -1.0 2.0
   62    67    69    70  -0.55150  1.0 3.0
   62    67    69    71   0.09700  1.0 1.0
   62    67    69    71   0.15600 -1.0 2.0
   62    67    69    71  -0.50800  1.0 3.0
   62    67    80    75  -0.09450  1.0 1.0
   62    67    80    75  -1.12950 -1.0 2.0
   62    67    80    75   0.54000  1.0 3.0
   62    67    80    81   0.23400  1.0 3.0
   62    67    80    82   0.23400  1.0 3.0
   67    69   -70    75   7.00000 -1.0 2.0
   67    69    70    77   7.00000 -1.0 2.0
   67    69    71    72   0.34800  1.0 3.0
   67    69    71    73   0.34800  1.0 3.0
   67    69    71    74   0.34800  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.34800  1.0 3.0
   68    67    80    75  -0.11250  1.0 3.0
   68    67    80    81   0.15000  1.0 3.0
   68    67    80    82   0.15000  1.0 3.0
   69    67   -80    75  -0.98800  1.0 1.0
   69    67   -80    75   0.48800 -1.0 2.0
   69    67   -80    75   0.76800  1.0 3.0
   69    67    80    81   0.15000  1.0 3.0
   69    67    80    82   0.15000  1.0 3.0
   69    70    75    76   1.00000 -1.0 2.0
   69    70   -75    80  -0.33500  1.0 1.0
   69    70   -75    80   1.06600 -1.0 2.0
   69    70   -75    80  -0.14000  1.0 3.0
   69    70    77    78   0.00000  1.0 1.0
   69    70    77    79   0.00000  1.0 1.0
   69    70    77    83  -0.28300  1.0 1.0
   69    70    77    83   0.26700 -1.0 2.0
   69    70    77    83  -0.63300  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.00000  1.0 1.0
   70    75   -80    67   0.65300  1.0 1.0
   70    75   -80    67  -0.03850 -1.0 2.0
   70    75   -80    67   0.33900  1.0 3.0
   70    75    80    81   0.00000  1.0 1.0
   70    75    80    82   0.00000  1.0 1.0
   70    77    83    84   0.00000  1.0 1.0
   70    77    83    85  -0.28300  1.0 1.0
   70    77    83    85   0.26700 -1.0 2.0
   70    77    83    85  -0.63300  1.0 3.0
   75    70    77    78   0.15000  1.0 3.0
   75    70    77    79   0.15000  1.0 3.0
   75    70    77    83   0.09700  1.0 1.0
   75    70    77    83   0.15600 -1.0 2.0
   75    70    77    83  -0.50800  1.0 3.0
   76    75    80    67   0.30150 -1.0 2.0
   76    75    80    81   0.00000  1.0 1.0
   76    75    80    82   0.00000  1.0 1.0
   80    67   -69    70   0.09850  1.0 1.0
   80    67   -69    70   0.15250 -1.0 2.0
   80    67   -69    70  -0.50650  1.0 3.0
   80    67    69    71   0.46850  1.0 1.0
   80    67    69    71   0.08550 -1.0 2.0
   80    67    69    71   0.09800  1.0 3.0
   77    70    75    76  -0.64400  1.0 1.0
   77    70    75    76   0.26850 -1.0 2.0
   77    70    75    80   0.25700  1.0 1.0
   77    70    75    80   0.66200 -1.0 2.0
   77    70    75    80   0.04450  1.0 3.0
   77    83    85    86   7.00000 -1.0 2.0
   77    83    85    87   7.00000 -1.0 2.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.00000  1.0 1.0
   79    77    83    84   0.33100  1.0 3.0
   79    77    83    85   0.00000  1.0 1.0
   83    85    87    88  -0.18600  1.0 3.0
   83    85    87    89   0.28850  1.0 1.0
   83    85    87    89   2.61350 -1.0 2.0
   83    85    87    89   0.78400  1.0 3.0
   84    83    85    86   7.00000 -1.0 2.0
   84    83    85    87   7.00000 -1.0 2.0
   85    87    89    90   7.00000 -1.0 2.0
   85    87    89    91   7.00000 -1.0 2.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89  -0.18600  1.0 3.0
   88    87    89    90   7.00000 -1.0 2.0
   88    87    89    91   7.00000 -1.0 2.0
   71    69    70    75   7.00000 -1.0 2.0
   71    69    70    77   7.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.07850  1.0 1.0
   40    33    38    42  -0.03950 -1.0 2.0
   40    33    38    42   0.67350  1.0 3.0
   40    33    38    50   0.07850  1.0 1.0
   40    33    38    50  -0.03950 -1.0 2.0
   40    33    38    50   0.67350  1.0 3.0
   40    44    53    63   1.63150  1.0 1.0
   40    44    53    63   2.92000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    53   0.00000  1.0 1.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    49   0.15000  1.0 3.0
   44    40    46    47  -0.11250  1.0 3.0
   44    40    46    48  -0.11250  1.0 3.0
   44    40    46    49  -0.11250  1.0 3.0
   44    53    63    64   0.08050  1.0 3.0
   44    53    63    65   0.08050  1.0 3.0
   44    53    63    66   0.08050  1.0 3.0
   45    44    53    63   3.00000 -1.0 2.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    53   0.36750  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
   42    62    51    52  10.50000 -1.0 2.0
   67    71    69    70   1.10000 -1.0 2.0
   75    77    70    69   1.10000 -1.0 2.0
   70    80    75    76  10.50000 -1.0 2.0
   77    84    83    85  15.00000 -1.0 2.0
   87    86    85    83  15.00000 -1.0 2.0
   85    88    87    89  15.00000 -1.0 2.0
   90    91    89    87  15.00000 -1.0 2.0
   40    53    44    45  10.50000 -1.0 2.0
END
