* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    163    240     480
    1     0 S   NP   _N1_     1    28.20112    96.65426   -20.54323
    2     1 S   H    _HN1     2     1.02950    75.65303   -21.06232
    3     1 S   H    _H1_     3     1.02840    40.61964   118.93826
    4     1 S   H    _H2_     4     1.02778    94.56883  -128.78923
    5     1 S   CT   _CA1     5     1.50129   147.69946    84.65453
    6     5 S   HC   _HA1     6     1.09596   105.19889    82.52765
    7     5 S   CO3  _C1_     7     1.53901   112.02345   -37.36564
    8     7 S   O2Z  _O11     8     1.26366   114.97443   -52.48780
    9     7 S   O2Z  _O12     9     1.26255   114.98213   126.19544
   10     5 S   CT   _CB1    10     1.53196   107.33619  -159.90079
   11    10 S   HC   HB11    11     1.09816   109.47587   -51.76554
   12    10 S   HC   HB12    12     1.09795   110.57179    64.97268
   13    10 S   CT   _CG1    13     1.52836   112.20537  -172.72214
   14    13 S   HC   HG11    14     1.09481   110.07156   -64.99195
   15    13 S   HC   HG12    15     1.09586   109.74840    54.06882
   16    13 S   C    _CD1    16     1.51778   112.86298   175.07566
   17    16 S   O    _OE1    17     1.22728   123.34884     6.67103
   18    16 S   N    _N2_    18     1.38553   111.57477  -174.05426
   19    18 S   H    _HN2    19     1.01521   119.05322     5.01302
   20    18 S   CT1  _CA2    20     1.45907   123.22148   179.90309
   21    20 S   HC   _HA2    21     1.09721   108.81229    27.22562
   22    20 S   C    _C2_    22     1.52914   107.14584   -90.01897
   23    22 S   O    _O2_    23     1.22976   123.10405   -25.58530
   24    20 S   CT   _CB2    32     1.53266   111.79691   150.32492
   25    24 S   HC   HB21    33     1.09489   109.40397    56.70149
   26    24 S   HC   HB22    34     1.09509   110.83651   175.14699
   27    22 S   N    _N3_    24     1.38502   112.49820   156.97757
   28    27 S   H    _HN3    25     1.01647   120.33500    -1.82960
   29    24 S   S    _SG2    35     1.82838   110.85278   -64.96799
   30    27 S   CT   _CA3    26     1.45351   122.50288   178.61549
   31    30 S   HC   HA31    27     1.09565   107.78926   -56.47600
   32    30 S   HC   HA32    28     1.09563   107.63347    59.86155
   33    29 S   CT   _C18    36     1.83217    99.85130   159.17346
   34    33 S   HC   _H5_    37     1.09632   104.48612    58.82436
   35    30 S   CO3  _C3_    29     1.52895   114.30510  -178.33399
   36    35 S   O2Z  _O31    30     1.26341   116.05402     0.77025
   37    35 S   O2Z  _O32    31     1.26439   114.42046  -179.24619
   38    33 S   CM   _C12    38     1.52531   113.76709   -63.61478
   39    33 S   CT   _C17    50     1.56311   111.22543   173.99906
   40    39 S   HC   _H18    51     1.09942   105.99680   -62.01715
   41    39 S   HC   _H19    52     1.09849   111.78964    52.67086
   42    38 S   CMA  _C13    39     1.36548   115.25166   146.39259
   43    42 S   OM   _O37    40     1.26731   130.06042   -30.25854
   44    38 S   CT   _C11    70     1.51621   116.03330   -51.08248
   45    44 S   HC   _H12    71     1.09143   112.69805  -112.94600
   46    44 S   HC   _H13    72     1.09386   111.86161     6.57513
   47    42 S   CT   _C14    41     1.53575   118.08599   130.18707
   48    47 S   HC   _H4_    42     1.10221   108.82108   172.93545
   49    47 S   CT   _C15    43     1.56511   112.06329   -70.27648
   50    49 S   HC   _H14    44     1.09923   107.38204   -88.95115
   51    49 S   HC   _H15    45     1.09774   108.03240   157.19246
   52    47 S   OS   _O35    57     1.44851   111.49771    56.62712
   53    49 S   CT   _C16    46     1.55835   121.03854    33.38361
   54    53 S   HC   _H16    47     1.09221   111.07868    60.48354
   55    53 S   HC   _H17    48     1.10009   105.09034   170.86890
   56    52 S   CO4  _C20    58     1.36281   117.29896   143.68241
   57    56 S   O    _O36    59     1.22286   125.77039    12.95649
   58    53 S   NT   _N4_    49     1.48757   115.67891   -68.93844
   59    56 S   CM   _C6_    60     1.49608   110.15500  -163.24541
   60    58 S   CT   _C19    53     1.46513   110.27378  -117.77160
   61    60 S   HC   _H20    54     1.09581   110.69197   174.11670
   62    60 S   HC   _H21    55     1.09603   110.62767    56.70503
   63    60 S   HC   _H22    56     1.09593   111.97109   -64.66645
   64    59 S   CT   _C7_    61     1.51579   118.27665    29.79594
   65    64 S   HC   _H10    62     1.09272   108.80748    10.84381
   66    64 S   HC   _H11    63     1.10052   107.56644   121.55018
   67    59 S   CM   _C5_    83     1.34738   120.53656  -156.73234
   68    67 S   HC   _H9_    84     1.08980   117.39033  -174.74040
   69    64 S   CT   _C8_    64     1.55894   118.31471  -116.96739
   70    69 S   HC   _H3_    65     1.10070   106.17694   -97.89791
   71    67 S   CT   _C4_    85     1.49502   128.84951     7.59409
   72    71 S   HC   _H6_    86     1.09376   110.23661  -101.31538
   73    71 S   HC   _H7_    87     1.09532   109.24944   140.14215
   74    71 S   HC   _H8_    88     1.09251   113.23015    21.54250
   75    69 S   CT   _C9_    66     1.56655   113.35402   145.86013
   76    69 S   CT   _C22    79     1.54193   114.01332    16.95313
   77    76 S   HC   _H27    80     1.09474   111.81225    55.64806
   78    76 S   HC   _H28    81     1.09413   111.21920   -65.21896
   79    76 S   HC   _H29    82     1.09446   111.53292   176.71866
   80    75 S   CO4  _C10    67     1.52997   110.34251   -82.10690
   81    80 S   O    _O33    68     1.22544   123.58383  -100.56090
   82    75 S   CT   _C21    73     1.52981   114.27114    44.71741
   83    82 S   HC   _H23    74     1.09588   110.63694    54.91273
   84    82 S   HC   _H24    75     1.09335   113.44741   -67.25862
   85    82 S   HC   _H25    76     1.09641   110.53906   172.56782
   86    75 S   OH   _O38    77     1.43497   108.27911   161.11204
   87    86 S   HO   _H26    78     0.97425   109.05823    78.42399
   88    80 S   OS   _O34    69     1.36015   110.90637    73.93268
  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   9   5   4   3
  15   7   2   1   1  15  13   4   3  13   5   7   3   2  12   6
   9   6   5   6   7   3   2   9   3   4  13   3   2   1   1  15
   6   5   6   4  15   8   3   2   1   1  13   6   2   1   1   8
   3   6   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    53    58    39    40    41    60    88    44    45    46  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    58    39    40    41    52    80    88    44    45    46  
   40    41    60    61    62    63    44    42    49    53    54    55    58  
   41    60    53    58  
   60    53    58  
   43    47    48    49    50    51    53    52    56    88    44    45    46  
   47    48    49    52    44  
   45    46    47    75    80    81    88  
   46    80    88  
   80    88  
   48    49    50    51    53    54    55    58    52    56    57    59  
   49    50    51    53    52    56  
   50    51    53    54    55    58    60    52    56  
   51    53    54    55    58    52  
   53    54    55    58    52  
   56    57    59    64    67    53  
   54    55    58    60    61    62    63  
   55    58    60  
   58    60  
   57    59    64    65    66    69    67    68    71  
   59    64    67  
   60    61    62    63  
   64    65    66    69    70    75    76    67    68    71    72    73    74  
   61    62    63  
   62    63  
   63  
    0  
   65    66    69    70    75    80    82    86    76    77    78    79    67    68    71  
   66    69    70    75    76    67  
   69    70    75    76    67  
   68    71    72    73    74    69  
   71    72    73    74  
   70    75    80    81    88    82    83    84    85    86    87    76    77    78    79  
   75    80    82    86    76    77    78    79  
   72    73    74  
   73    74  
   74  
    0  
   80    81    88    82    83    84    85    86    87    76    77    78    79  
   77    78    79    80    82    86  
   78    79  
   79  
    0  
   81    88    82    83    84    85    86    87  
   88    82    86  
   83    84    85    86    87    88  
   84    85    86  
   85    86  
   86  
   87    88  
    0  
    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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   382.000  1.448
   58    39   382.000  1.448
   58    60   382.000  1.448
   39    40   340.000  1.090
   39    41   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    59   320.000  1.462
   59    64   317.000  1.510
   59    67   549.000  1.340
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    76   268.000  1.529
   75    80   317.000  1.522
   75    82   268.000  1.529
   75    86   320.000  1.410
   80    81   570.000  1.229
   80    88   214.000  1.327
   88    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.080
   67    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    58    56.20000  109.47000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    47    65.00000  122.18000
   38    44    88    85.00000  110.90400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   42    47    48    45.00000  110.52000
   42    47    49    70.00000  112.02700
   42    47    52    85.00000  110.90400
   47    42    43    85.00000  112.85300
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    56    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    56.20000  109.47000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    39    51.80000  107.20000
   53    58    60    51.80000  107.20000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    39    40    35.00000  109.50000
   58    39    41    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   60    58    39    51.80000  107.20000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    59    90.00000  111.29400
   56    59    64    65.00000  116.34900
   56    59    67    65.00000  118.96000
   59    56    57    80.00000  123.72100
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    69    70.00000  112.02700
   59    67    68    35.00000  120.00000
   59    67    71    70.00000  124.00000
   64    69    70    37.50000  110.70000
   64    69    75    58.35000  112.70000
   64    69    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    75    80    63.00000  111.10000
   69    75    82    58.35000  112.70000
   69    75    86    50.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   75    69    70    37.50000  110.70000
   75    80    81    80.00000  120.40000
   75    80    88    81.00000  111.40000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   75    86    87    55.00000  108.50000
   80    88    44    83.00000  116.90000
   88    80    81    83.00000  123.40000
   88    44    45    35.00000  109.50000
   88    44    46    35.00000  109.50000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   82    75    80    63.00000  111.10000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    75    80    90.00000  109.61100
   86    75    82    50.00000  109.50000
   76    69    70    37.50000  110.70000
   76    69    75    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    59    64    70.00000  124.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   71    67    68    35.00000  117.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    58   0.56750  1.0 1.0
   29    33    39    58  -0.07550 -1.0 2.0
   29    33    39    58   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    44    88   0.09700  1.0 1.0
   33    38    44    88   0.15600 -1.0 2.0
   33    38    44    88  -0.50800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    58   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    58   0.59950  1.0 1.0
   38    33    39    58  -0.21400 -1.0 2.0
   38    33    39    58   0.56200  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.09850  1.0 1.0
   38    42    47    49   0.15250 -1.0 2.0
   38    42    47    49  -0.50650  1.0 3.0
   38    42    47    52   0.39000  1.0 1.0
   38    42    47    52  -0.05800 -1.0 2.0
   38    42    47    52  -0.55150  1.0 3.0
   42    38    44    88   0.39000  1.0 1.0
   42    38    44    88  -0.05800 -1.0 2.0
   42    38    44    88  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47    49    53   0.34400  1.0 1.0
   42    47    49    53   0.09450 -1.0 2.0
   42    47    49    53   0.11100  1.0 3.0
   42    47    52    56  -0.82050  1.0 1.0
   42    47    52    56   0.00600 -1.0 2.0
   42    47    52    56   0.04400  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.09700  1.0 1.0
   43    42    47    49   0.15600 -1.0 2.0
   43    42    47    49  -0.50800  1.0 3.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49    53    58   1.53400  1.0 1.0
   47    49    53    58  -0.09950 -1.0 2.0
   47    49    53    58   0.05700  1.0 3.0
   47    52    56    57   3.00000 -1.0 2.0
   47    52    56    59   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    56   0.08050  1.0 3.0
   49    47    52    56  -0.25900  1.0 1.0
   49    47    52    56  -0.47000 -1.0 2.0
   49    47    52    56   0.11750  1.0 3.0
   49    53    58    39   0.23450  1.0 1.0
   49    53    58    39   0.02050 -1.0 2.0
   49    53    58    39   0.25250  1.0 3.0
   49    53    58    60   0.23450  1.0 1.0
   49    53    58    60   0.02050 -1.0 2.0
   49    53    58    60   0.25250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    58    39    33   0.23450  1.0 1.0
   53    58    39    33   0.02050 -1.0 2.0
   53    58    39    33   0.25250  1.0 3.0
   53    58    39    40   0.28000  1.0 3.0
   53    58    39    41   0.28000  1.0 3.0
   53    58    60    61   0.28000  1.0 3.0
   53    58    60    62   0.28000  1.0 3.0
   53    58    60    63   0.28000  1.0 3.0
   54    53    58    39   0.28000  1.0 3.0
   54    53    58    60   0.28000  1.0 3.0
   55    53    58    39   0.28000  1.0 3.0
   55    53    58    60   0.28000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    58    60    61   0.28000  1.0 3.0
   39    58    60    62   0.28000  1.0 3.0
   39    58    60    63   0.28000  1.0 3.0
   60    58    39    33   0.23450  1.0 1.0
   60    58    39    33   0.02050 -1.0 2.0
   60    58    39    33   0.25250  1.0 3.0
   60    58    39    40   0.28000  1.0 3.0
   60    58    39    41   0.28000  1.0 3.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    56    59    64  -0.15000  1.0 1.0
   52    56    59    64   0.89550 -1.0 2.0
   52    56    59    64  -0.06900  1.0 3.0
   52    56    59    67  -0.56150  1.0 1.0
   52    56    59    67   2.19150 -1.0 2.0
   56    59    64    65   0.15000  1.0 3.0
   56    59    64    66   0.15000  1.0 3.0
   56    59    64    69   0.09700  1.0 1.0
   56    59    64    69   0.15600 -1.0 2.0
   56    59    64    69  -0.50800  1.0 3.0
   56    59    67    68   7.00000 -1.0 2.0
   56    59    67    71   7.00000 -1.0 2.0
   57    56    59    64  -0.64400  1.0 1.0
   57    56    59    64   0.26850 -1.0 2.0
   57    56    59    67   1.00000 -1.0 2.0
   59    64    69    70   0.15000  1.0 3.0
   59    64    69    75   0.34400  1.0 1.0
   59    64    69    75   0.09450 -1.0 2.0
   59    64    69    75   0.11100  1.0 3.0
   59    64    69    76   0.34400  1.0 1.0
   59    64    69    76   0.09450 -1.0 2.0
   59    64    69    76   0.11100  1.0 3.0
   59    67    71    72   0.00000  1.0 1.0
   59    67    71    73   0.00000  1.0 1.0
   59    67    71    74   0.00000  1.0 1.0
   64    59    67    68   7.00000 -1.0 2.0
   64    59    67    71   7.00000 -1.0 2.0
   64    69    75    80  -0.95700  1.0 1.0
   64    69    75    80  -0.18200 -1.0 2.0
   64    69    75    80   0.29450  1.0 3.0
   64    69    75    82   0.56750  1.0 1.0
   64    69    75    82  -0.07550 -1.0 2.0
   64    69    75    82   0.20000  1.0 3.0
   64    69    75    86   0.86500  1.0 1.0
   64    69    75    86  -0.17500 -1.0 2.0
   64    69    75    86   0.20800  1.0 3.0
   64    69    76    77   0.15000  1.0 3.0
   64    69    76    78   0.15000  1.0 3.0
   64    69    76    79   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    75   0.15000  1.0 3.0
   65    64    69    76   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    75   0.15000  1.0 3.0
   66    64    69    76   0.15000  1.0 3.0
   69    75    80    81   0.30150 -1.0 2.0
   69    75    80    88   0.36750  1.0 3.0
   69    75    82    83   0.15000  1.0 3.0
   69    75    82    84   0.15000  1.0 3.0
   69    75    82    85   0.15000  1.0 3.0
   69    75    86    87  -0.11600  1.0 1.0
   69    75    86    87  -0.09450 -1.0 2.0
   69    75    86    87   0.21250  1.0 3.0
   70    69    75    80  -0.11250  1.0 3.0
   70    69    75    82   0.15000  1.0 3.0
   70    69    75    86   0.23400  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   75    69    76    77   0.15000  1.0 3.0
   75    69    76    78   0.15000  1.0 3.0
   75    69    76    79   0.15000  1.0 3.0
   75    80    88    44   1.63150  1.0 1.0
   75    80    88    44   2.92000 -1.0 2.0
   80    75    82    83  -0.11250  1.0 3.0
   80    75    82    84  -0.11250  1.0 3.0
   80    75    82    85  -0.11250  1.0 3.0
   80    75    86    87   0.91850  1.0 1.0
   80    75    86    87   0.57950  1.0 3.0
   80    88    44    38  -0.82050  1.0 1.0
   80    88    44    38   0.00600 -1.0 2.0
   80    88    44    38   0.04400  1.0 3.0
   80    88    44    45   0.08050  1.0 3.0
   80    88    44    46   0.08050  1.0 3.0
   81    80    88    44   3.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    47   7.00000 -1.0 2.0
   82    75    80    81   0.30150 -1.0 2.0
   82    75    80    88   0.36750  1.0 3.0
   82    75    86    87  -0.11600  1.0 1.0
   82    75    86    87  -0.09450 -1.0 2.0
   82    75    86    87   0.21250  1.0 3.0
   86    75    80    81   0.30150 -1.0 2.0
   86    75    80    88   0.30750  1.0 1.0
   86    75    80    88   1.13850 -1.0 2.0
   86    75    80    88   0.38850  1.0 3.0
   86    75    82    83   0.23400  1.0 3.0
   86    75    82    84   0.23400  1.0 3.0
   86    75    82    85   0.23400  1.0 3.0
   76    69    75    80  -0.95700  1.0 1.0
   76    69    75    80  -0.18200 -1.0 2.0
   76    69    75    80   0.29450  1.0 3.0
   76    69    75    82   0.56750  1.0 1.0
   76    69    75    82  -0.07550 -1.0 2.0
   76    69    75    82   0.20000  1.0 3.0
   76    69    75    86   0.86500  1.0 1.0
   76    69    75    86  -0.17500 -1.0 2.0
   76    69    75    86   0.20800  1.0 3.0
   67    59    64    65   0.00000  1.0 1.0
   67    59    64    66   0.00000  1.0 1.0
   67    59    64    69   0.09850  1.0 1.0
   67    59    64    69   0.15250 -1.0 2.0
   67    59    64    69  -0.50650  1.0 3.0
   68    67    71    72   0.33100  1.0 3.0
   68    67    71    73   0.33100  1.0 3.0
   68    67    71    74   0.33100  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
   33    44    38    42   1.10000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   52    59    56    57  10.50000 -1.0 2.0
   56    64    59    67   1.10000 -1.0 2.0
   75    88    80    81  10.50000 -1.0 2.0
   71    68    67    59   1.10000 -1.0 2.0
END
