* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    248     474
    1     0 S   NP   _N1_     1    29.96050    96.36922   -17.02406
    2     1 S   H    _HN1     2     1.02773    63.60882   -68.84831
    3     1 S   H    _H1_     3     1.02970    97.69218    37.87690
    4     1 S   H    _H2_     4     1.02833    50.97981   143.46584
    5     1 S   CT   _CA1     5     1.50160   150.88017  -157.75468
    6     5 S   HC   _HA1     6     1.09576   105.18494    13.82134
    7     5 S   CO3  _C1_     7     1.53917   112.61318  -106.08395
    8     7 S   O2Z  _O11     8     1.26340   115.04322   -35.43487
    9     7 S   O2Z  _O12     9     1.26269   115.02987   143.82950
   10     5 S   CT   _CB1    10     1.53151   107.33704   131.69001
   11    10 S   HC   HB11    11     1.09805   109.41974   -50.30975
   12    10 S   HC   HB12    12     1.09769   110.23541    66.21494
   13    10 S   CT   _CG1    13     1.52877   112.68810  -171.52414
   14    13 S   HC   HG11    14     1.09543   110.06833   -62.04940
   15    13 S   HC   HG12    15     1.09636   110.18989    56.90165
   16    13 S   C    _CD1    16     1.51871   112.66992   177.26476
   17    16 S   O    _OE1    17     1.22647   123.41008   -13.32305
   18    16 S   N    _N2_    18     1.38532   111.28669   167.40336
   19    18 S   H    _HN2    19     1.01479   118.72805     1.41748
   20    18 S   CT1  _CA2    20     1.46059   124.15437  -178.21315
   21    20 S   HC   _HA2    21     1.09712   109.33973   -19.29316
   22    20 S   C    _C2_    22     1.53552   107.82178  -134.87244
   23    22 S   O    _O2_    23     1.22998   122.33983  -147.28205
   24    20 S   CT   _CB2    32     1.53524   111.28078   103.42877
   25    24 S   HC   HB21    33     1.09579   110.38285    49.58862
   26    24 S   HC   HB22    34     1.09509   110.48698   167.69967
   27    22 S   N    _N3_    24     1.38531   113.37065    39.83117
   28    27 S   H    _HN3    25     1.01538   118.89699     0.00000
   29    24 S   S    _SG2    35     1.82918   112.37672   -74.31268
   30    27 S   CT   _CA3    26     1.45447   123.57454   176.16968
   31    30 S   HC   HA31    27     1.09514   109.38401    20.75994
   32    30 S   HC   HA32    28     1.09504   107.04658   137.73229
   33    29 S   CT   _C21    36     1.82835   100.35543   125.93883
   34    33 S   HC   _H3_    37     1.09421   108.10738    44.78258
   35    33 S   HC   _H4_    38     1.09594   106.77151   159.56011
   36    30 S   CO3  _C3_    29     1.52902   113.07048  -102.87018
   37    36 S   O2Z  _O31    30     1.26407   115.39367   -44.11762
   38    36 S   O2Z  _O32    31     1.26349   114.98564   136.80571
   39    33 S   CT   _C12    39     1.52950   112.69513   -79.34664
   40    39 S   HC   _H33    40     1.09255   111.91860    42.60708
   41    39 S   CO4  _C8_    41     1.50884   112.82177   -78.77709
   42    41 S   O    _O20    42     1.22061   126.60163    40.89554
   43    41 S   OS   _O22    43     1.36279   109.55229  -140.60698
   44    43 S   CT   _C11    44     1.44701   110.75603    -2.15559
   45    44 S   HC   _H32    45     1.09889   105.71305   -90.10498
   46    44 S   CM   _C6_    46     1.50917   105.42312   158.37839
   47    46 S   HC   _H29    47     1.09605   106.93742    59.44690
   48    39 S   CT   _C13    60     1.54405   112.23234   167.50401
   49    48 S   HC   _H34    61     1.09364   105.61114    39.01292
   50    46 S   CM   _C7_    48     1.35291   139.41479  -120.41205
   51    50 S   CO   _C15    49     1.52448   130.70937    -0.45241
   52    50 S   CT   _C17    82     1.52549   116.38262   178.65943
   53    52 S   HC   _H36    83     1.09450   110.68274   115.85581
   54    52 S   HC   _H37    84     1.09553   112.97515    -4.00184
   55    52 S   HC   _H38    85     1.09486   110.69972  -123.55380
   56    51 S   CM   _C4_    50     1.49910   113.15958  -117.80052
   57    56 S   HC   _H27    51     1.08008   125.22520   -67.91115
   58    51 S   OH   _O24    80     1.42647   108.47206   119.72783
   59    58 S   HO   _H51    81     0.97124   108.32045   149.74122
   60    56 S   CM   _C5_    52     1.33252   110.08554   111.53698
   61    60 S   HC   _H28    53     1.07981   125.29814  -178.56714
   62    60 S   CT   _C16    54     1.49295   109.19307    -0.86931
   63    62 S   CT   _C10    55     1.53565   110.48937  -104.92062
   64    63 S   HC   _H30    56     1.09874   110.57039    42.90634
   65    63 S   HC   _H31    57     1.09899   109.16167   -70.87325
   66    51 S   OS   _O23    75     1.42828   112.78736    -0.54680
   67    62 S   CT   _C18    76     1.52563   112.03176   128.51506
   68    67 S   HC   _H39    77     1.09535   111.23339  -171.14976
   69    67 S   HC   _H40    78     1.09510   111.68432    67.32368
   70    67 S   HC   _H41    79     1.09679   110.97691   -53.46854
   71    63 S   CT   _C14    58     1.53767   115.60043   165.60121
   72    71 S   HC   _H35    59     1.09593   109.45346    63.22412
   73    71 S   OS   _O25    62     1.45303   106.50293  -179.28921
   74    73 S   CO4  _C9_    63     1.36454   118.03063   -86.45284
   75    74 S   O    _O21    64     1.22332   125.80933    -2.18463
   76    74 S   CT   _C22    65     1.51743   109.31146   176.64655
   77    76 S   HC   _H50    66     1.09621   108.14129    37.34106
   78    76 S   CT   _C19    67     1.52554   110.68178   155.10702
   79    78 S   HC   _H42    68     1.09565   111.46927    64.55181
   80    78 S   HC   _H43    69     1.09482   110.84356   -55.11543
   81    78 S   HC   _H44    70     1.09491   110.79219  -175.08725
   82    76 S   CT   _C20    71     1.52352   109.52958   -81.84968
   83    82 S   HC   _H45    72     1.09570   111.27470   -60.33965
   84    82 S   HC   _H46    73     1.09483   110.91030   179.10584
   85    82 S   HC   _H47    74     1.09552   110.92836    59.14719
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  14   6   2   1   1   9   5   4   1  11   4  11  11   6
   5   5   4   2   1   1   5   2   6  11   4   9   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    71    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    71    72    48    49    73  
   41    42    43    44    71    48    49  
   42    43    44    45    46    71    48    49  
   43    44    48  
   44    45    46    47    50    71    48    49  
   45    46    47    50    51    63    71    72    48    49    73    52  
   46    47    50    71    48    49  
   47    50    51    56    71    48    49    66    58    52    53    54    55  
   50    51    48    52  
   49    73    74    50    62    63    64    65    71    72  
   73    63    71    72  
   51    56    57    60    62    66    58    59    52    53    54    55  
   56    57    60    61    62    63    66    67    58    59    52    53    54    55  
   53    54    55    56    58    66  
   54    55  
   55  
    0  
   57    60    61    62    63    66    67    58    59  
   60    61    62    66    58  
   59    60    62    66  
   66  
   61    62    63    64    65    71    66    67    68    69    70  
   62    63    66    67  
   63    64    65    71    72    73    66    67    68    69    70  
   64    65    71    72    73    74    66    67    68    69    70  
   65    71    72    73    66    67  
   71    72    73    66    67  
   67    68    69    70    71  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74  
   74    75    76    77    78    82  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    52   317.000  1.510
   51    56   317.000  1.510
   51    66   320.000  1.380
   51    58   380.000  1.407
   56    57   340.000  1.080
   56    60   549.000  1.340
   60    61   340.000  1.080
   60    62   317.000  1.510
   62    63   268.000  1.529
   62    66   320.000  1.410
   62    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    48   268.000  1.529
   71    73   320.000  1.410
   48    49   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   58    59   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    71    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    71    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    52    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    56    70.00000  110.12100
   50    51    66    85.00000  110.90400
   50    51    58    90.00000  110.39200
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    56    57    35.00000  117.00000
   51    56    60    70.00000  124.00000
   51    66    62    60.00000  109.50000
   51    58    59    70.00000  107.92000
   56    60    61    35.00000  120.00000
   56    60    62    70.00000  124.00000
   60    56    57    35.00000  120.00000
   60    62    63    70.00000  112.02700
   60    62    66    85.00000  110.90400
   60    62    67    70.00000  112.02700
   62    60    61    35.00000  117.00000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    71    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    48    58.35000  112.70000
   63    71    73    50.00000  109.50000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    48    49    37.50000  110.70000
   71    73    74    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    71    72    37.50000  110.70000
   73    71    72    35.00000  109.50000
   73    71    48    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    63.00000  111.10000
   74    76    82    63.00000  111.10000
   76    74    75    80.00000  120.40000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   66    51    56    85.00000  110.90400
   66    62    63    50.00000  109.50000
   67    62    63    58.35000  112.70000
   67    62    66    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   58    51    56    90.00000  110.39200
   58    51    66   110.00000  112.08000
   52    50    51    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    71   0.56750  1.0 1.0
   33    39    48    71  -0.07550 -1.0 2.0
   33    39    48    71   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    71   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    71  -0.95700  1.0 1.0
   41    39    48    71  -0.18200 -1.0 2.0
   41    39    48    71   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    71   0.62750  1.0 1.0
   43    44    48    71  -0.30950 -1.0 2.0
   43    44    48    71   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    52   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    71   0.34400  1.0 1.0
   46    44    48    71   0.09450 -1.0 2.0
   46    44    48    71   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    56  -0.28300  1.0 1.0
   46    50    51    56   0.26700 -1.0 2.0
   46    50    51    56  -0.63300  1.0 3.0
   46    50    51    66   0.39000  1.0 1.0
   46    50    51    66  -0.05800 -1.0 2.0
   46    50    51    66  -0.55150  1.0 3.0
   46    50    51    58   0.67800  1.0 1.0
   46    50    51    58   0.47050 -1.0 2.0
   46    50    51    58  -0.62500  1.0 3.0
   46    50    52    53   0.00000  1.0 1.0
   46    50    52    54   0.00000  1.0 1.0
   46    50    52    55   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   50    51    56    57   0.00000  1.0 1.0
   50    51    56    60  -0.28300  1.0 1.0
   50    51    56    60   0.26700 -1.0 2.0
   50    51    56    60  -0.63300  1.0 3.0
   50    51    66    62  -0.77900  1.0 1.0
   50    51    66    62  -0.36900 -1.0 2.0
   50    51    66    62   0.40400  1.0 3.0
   50    51    58    59  -0.07800  1.0 1.0
   50    51    58    59  -0.21500 -1.0 2.0
   50    51    58    59  -0.03150  1.0 3.0
   51    50    52    53   0.34800  1.0 3.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    52    55   0.34800  1.0 3.0
   51    56    60    61   7.00000 -1.0 2.0
   51    56   -60    62   7.00000 -1.0 2.0
   56    51   -66    62  -0.77900  1.0 1.0
   56    51   -66    62  -0.36900 -1.0 2.0
   56    51   -66    62   0.40400  1.0 3.0
   56    51    58    59  -0.07800  1.0 1.0
   56    51    58    59  -0.21500 -1.0 2.0
   56    51    58    59  -0.03150  1.0 3.0
   56    60    62    63   0.09850  1.0 1.0
   56    60    62    63   0.15250 -1.0 2.0
   56    60    62    63  -0.50650  1.0 3.0
   56    60   -62    66   0.39000  1.0 1.0
   56    60   -62    66  -0.05800 -1.0 2.0
   56    60   -62    66  -0.55150  1.0 3.0
   56    60    62    67   0.09850  1.0 1.0
   56    60    62    67   0.15250 -1.0 2.0
   56    60    62    67  -0.50650  1.0 3.0
   57    56    60    61   7.00000 -1.0 2.0
   57    56    60    62   7.00000 -1.0 2.0
   60    62    63    64   0.15000  1.0 3.0
   60    62    63    65   0.15000  1.0 3.0
   60    62    63    71   0.34400  1.0 1.0
   60    62    63    71   0.09450 -1.0 2.0
   60    62    63    71   0.11100  1.0 3.0
   60    62   -66    51  -0.77900  1.0 1.0
   60    62   -66    51  -0.36900 -1.0 2.0
   60    62   -66    51   0.40400  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    69   0.15000  1.0 3.0
   60    62    67    70   0.15000  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    66   0.00000  1.0 1.0
   61    60    62    67   0.00000  1.0 1.0
   62    63    71    72   0.15000  1.0 3.0
   62    63    71    48   0.56750  1.0 1.0
   62    63    71    48  -0.07550 -1.0 2.0
   62    63    71    48   0.20000  1.0 3.0
   62    63    71    73   0.62750  1.0 1.0
   62    63    71    73  -0.30950 -1.0 2.0
   62    63    71    73   0.27300  1.0 3.0
   63    62    66    51   0.06250  1.0 1.0
   63    62    66    51  -0.01100 -1.0 2.0
   63    62    66    51   0.28050  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   63    71    48    39   0.56750  1.0 1.0
   63    71    48    39  -0.07550 -1.0 2.0
   63    71    48    39   0.20000  1.0 3.0
   63    71    48    44   0.56750  1.0 1.0
   63    71    48    44  -0.07550 -1.0 2.0
   63    71    48    44   0.20000  1.0 3.0
   63    71    48    49   0.15000  1.0 3.0
   63    71    73    74  -0.25900  1.0 1.0
   63    71    73    74  -0.47000 -1.0 2.0
   63    71    73    74   0.11750  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    48   0.15000  1.0 3.0
   64    63    71    73   0.23400  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    48   0.15000  1.0 3.0
   65    63    71    73   0.23400  1.0 3.0
   71    73    74    75   3.00000 -1.0 2.0
   71    73    74    76   1.63150  1.0 1.0
   71    73    74    76   2.92000 -1.0 2.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    44   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71    73    74   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    71    73    74  -0.25900  1.0 1.0
   48    71    73    74  -0.47000 -1.0 2.0
   48    71    73    74   0.11750  1.0 3.0
   73    71    48    39   0.62750  1.0 1.0
   73    71    48    39  -0.30950 -1.0 2.0
   73    71    48    39   0.27300  1.0 3.0
   73    71    48    44   0.62750  1.0 1.0
   73    71    48    44  -0.30950 -1.0 2.0
   73    71    48    44   0.27300  1.0 3.0
   73    71    48    49   0.23400  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.36750  1.0 3.0
   73    74    76    82   0.36750  1.0 3.0
   74    76    78    79  -0.11250  1.0 3.0
   74    76    78    80  -0.11250  1.0 3.0
   74    76    78    81  -0.11250  1.0 3.0
   74    76    82    83  -0.11250  1.0 3.0
   74    76    82    84  -0.11250  1.0 3.0
   74    76    82    85  -0.11250  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.30150 -1.0 2.0
   75    74    76    82   0.30150 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    76    78    79   0.15000  1.0 3.0
   82    76    78    80   0.15000  1.0 3.0
   82    76    78    81   0.15000  1.0 3.0
   66    51    56    57   0.00000  1.0 1.0
   66    51   -56    60   0.39000  1.0 1.0
   66    51   -56    60  -0.05800 -1.0 2.0
   66    51   -56    60  -0.55150  1.0 3.0
   66    51    58    59  -0.50000  1.0 1.0
   66    51    58    59  -0.73950 -1.0 2.0
   66    51    58    59   0.17150  1.0 3.0
   66    62    63    64   0.23400  1.0 3.0
   66    62    63    65   0.23400  1.0 3.0
   66    62    63    71   0.62750  1.0 1.0
   66    62    63    71  -0.30950 -1.0 2.0
   66    62    63    71   0.27300  1.0 3.0
   66    62    67    68   0.23400  1.0 3.0
   66    62    67    69   0.23400  1.0 3.0
   66    62    67    70   0.23400  1.0 3.0
   67    62    63    64   0.15000  1.0 3.0
   67    62    63    65   0.15000  1.0 3.0
   67    62    63    71   0.56750  1.0 1.0
   67    62    63    71  -0.07550 -1.0 2.0
   67    62    63    71   0.20000  1.0 3.0
   67    62    66    51   0.06250  1.0 1.0
   67    62    66    51  -0.01100 -1.0 2.0
   67    62    66    51   0.28050  1.0 3.0
   58    51    56    57   0.00000  1.0 1.0
   58    51    56    60   0.67800  1.0 1.0
   58    51    56    60   0.47050 -1.0 2.0
   58    51    56    60  -0.62500  1.0 3.0
   58    51    66    62  -0.70900  1.0 1.0
   58    51    66    62  -1.18000 -1.0 2.0
   58    51    66    62   0.91650  1.0 3.0
   52    50    51    56   0.09700  1.0 1.0
   52    50    51    56   0.15600 -1.0 2.0
   52    50    51    56  -0.50800  1.0 3.0
   52    50    51    66   0.09700  1.0 1.0
   52    50    51    66   0.15600 -1.0 2.0
   52    50    51    66  -0.50800  1.0 3.0
   52    50    51    58   0.18000  1.0 1.0
   52    50    51    58   0.16450 -1.0 2.0
   52    50    51    58   0.04450  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    52    50    46   1.10000 -1.0 2.0
   51    57    56    60   1.10000 -1.0 2.0
   62    61    60    56   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
END
