* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    252     480
    1     0 S   NP   _N1_     1    27.74820    97.79867   -17.59232
    2     1 S   H    _HN1     2     1.02957    73.30621    22.66494
    3     1 S   H    _H1_     3     1.02837    57.22232   146.52238
    4     1 S   H    _H2_     4     1.02776    76.55625   -91.51042
    5     1 S   CT   _CA1     5     1.50126   167.60035   131.96252
    6     5 S   HC   _HA1     6     1.09575   105.21896    72.25253
    7     5 S   CO3  _C1_     7     1.53790   112.34752   -47.94769
    8     7 S   O2Z  _O11     8     1.26366   114.99340   -44.24844
    9     7 S   O2Z  _O12     9     1.26235   114.93306   134.85591
   10     5 S   CT   _CB1    10     1.53102   107.42872  -169.83308
   11    10 S   HC   HB11    11     1.09827   109.35113   -50.47195
   12    10 S   HC   HB12    12     1.09816   110.42960    66.09337
   13    10 S   CT   _CG1    13     1.53015   112.65046  -171.53418
   14    13 S   HC   HG11    14     1.09593   110.49761   -64.22033
   15    13 S   HC   HG12    15     1.09656   109.91622    54.97861
   16    13 S   C    _CD1    16     1.51827   112.31796   175.36189
   17    16 S   O    _OE1    17     1.22775   123.33043     0.61992
   18    16 S   N    _N2_    18     1.38599   111.72399  -179.50663
   19    18 S   H    _HN2    19     1.01574   119.11328     4.73925
   20    18 S   CT1  _CA2    20     1.45675   122.68595   177.65899
   21    20 S   HC   _HA2    21     1.09721   108.93320    21.23867
   22    20 S   C    _C2_    22     1.52784   106.95455   -96.00571
   23    22 S   O    _O2_    23     1.22955   122.75639   -30.41471
   24    20 S   CT   _CB2    32     1.53267   112.64424   144.35324
   25    24 S   HC   HB21    33     1.09570   110.78299    55.69607
   26    24 S   HC   HB22    34     1.09351   109.14289   174.55929
   27    22 S   N    _N3_    24     1.38567   112.42211   152.76993
   28    27 S   H    _HN3    25     1.01475   119.72843     0.06561
   29    24 S   S    _SG2    35     1.82423   110.90372   -65.00631
   30    27 S   CT   _CA3    26     1.45418   122.88095   173.76483
   31    30 S   HC   HA31    27     1.09520   109.28070    24.02033
   32    30 S   HC   HA32    28     1.09386   107.09077   141.22443
   33    29 S   CT   _C21    36     1.83032   100.42021  -174.85410
   34    33 S   HC   _H3_    37     1.09557   108.31850   -59.94982
   35    33 S   HC   _H4_    38     1.09619   106.02961  -174.28025
   36    30 S   CO3  _C3_    29     1.53097   113.90959   -98.70892
   37    36 S   O2Z  _O31    30     1.26451   114.37369   164.49297
   38    36 S   O2Z  _O32    31     1.26331   116.19793   -16.24253
   39    33 S   CT   _C22    39     1.53419   115.19013    64.16906
   40    39 S   HC   _H50    40     1.09639   109.58008   -68.13786
   41    39 S   CO4  _C9_    41     1.51793   111.23096    52.61049
   42    41 S   O    _O21    42     1.22356   124.46786    61.63304
   43    39 S   CT   _C20    83     1.52753   110.95799   173.92265
   44    43 S   HC   _H45    84     1.09568   111.50708   -60.17919
   45    43 S   HC   _H46    85     1.09491   110.80715    60.30627
   46    43 S   HC   _H47    86     1.09563   110.72987  -179.76761
   47    41 S   OS   _O26    43     1.36337   109.33334  -116.77549
   48    47 S   CT   _C15    44     1.45268   118.26345   172.57852
   49    48 S   HC   _H38    45     1.09583   109.33484    25.48191
   50    48 S   CT   _C11    46     1.53896   105.85373   -91.52409
   51    50 S   HC   _H33    47     1.09669   107.20699   -52.72515
   52    50 S   HC   _H34    48     1.09823   108.76826    59.74763
   53    48 S   CT   _C13    61     1.54762   108.21827   143.64879
   54    53 S   HC   _H36    62     1.09370   111.29883  -177.40882
   55    50 S   CT   _C17    49     1.54238   116.12230  -177.27265
   56    53 S   CM   _C6_    63     1.50439   113.65693   -60.29060
   57    55 S   CT   _C14    50     1.53298   111.05699   170.47162
   58    57 S   HC   _H37    51     1.09453   113.04795    41.66628
   59    56 S   CO4  _C7_    64     1.47334   108.77407   147.47321
   60    59 S   O    _O20    65     1.21725   127.27144   169.32541
   61    56 S   CM   _C8_    67     1.33695   130.53082   -31.85908
   62    61 S   HC   _H29    68     1.08422   121.56263    -0.82662
   63    61 S   HC   _H30    69     1.08555   121.61596   179.52235
   64    55 S   CT   _C19    79     1.52889   111.55482   -61.93208
   65    64 S   HC   _H42    80     1.09574   111.37287   176.04304
   66    64 S   HC   _H43    81     1.09483   111.51709    59.04153
   67    64 S   HC   _H44    82     1.09447   111.36116   -62.55217
   68    57 S   CT   _C10    52     1.51625   102.40639   -80.40157
   69    68 S   HC   _H31    53     1.09668   109.19413    87.33242
   70    68 S   HC   _H32    54     1.09564   112.73329  -152.62553
   71    85 S   OS   _O22    66     1.45579   104.73512  -132.19794
   72    57 S   OH   _O24    77     1.42456   111.35569   163.28006
   73    72 S   HO   _H51    78     0.97245   107.58443   175.54376
   74    68 S   CO   _C16    55     1.53921   103.30025   -31.21104
   75    74 S   CM   _C5_    56     1.52324   111.37487   140.78708
   76    55 S   OS   _O23    74     1.43271   107.60512    56.68938
   77    74 S   OH   _O25    75     1.42943   107.95978   -98.19847
   78    77 S   HO   _H52    76     0.97188   107.26840  -166.37261
   79    75 S   CM   _C4_    57     1.35147   130.41247  -106.78191
   80    79 S   HC   _H28    58     1.09608   113.38109   177.56578
   81    75 S   CT   _C18    70     1.52430   112.75574    70.98759
   82    81 S   HC   _H39    71     1.09475   110.56828   -57.09340
   83    81 S   HC   _H40    72     1.09519   113.00669  -176.98377
   84    81 S   HC   _H41    73     1.09467   110.68704    63.36835
   85    79 S   CT   _C12    59     1.51124   139.41975    -0.67435
   86    85 S   HC   _H35    60     1.09869   105.45939   117.06309
  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   9   7  10   3   4   2   1   1  10  17
   8  17   6   5  14   7  15   9  14   8   8   3   4   1   1   7
   3   2   1  11   6   5   5   3   1  11  11   4   3   1   7   3
   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    85    53    54    56  
   49    50    51    52    55    57    79    85    86    53    54    56    59    71    61    76    64  
   50    51    52    55    85    53    54    56  
   51    52    55    57    58    68    74    85    53    54    56    76    72    64    65    66    67  
   52    55    57    53    76    64  
   55    57    53    76    64  
   54    56    59    60    71    61    62    63    55    75    79    80    85    86  
   56    59    71    61    79    85    86  
   57    58    68    69    70    74    75    76    77    72    73    64    65    66    67  
   59    60    71    61    62    63    79    85    86  
   58    68    69    70    74    75    76    77    72    73    64    65    66    67  
   68    69    70    74    76    72    73    64  
   60    71    61    62    63    79    85    86  
   71    61    85  
   62    63    71    85  
   63  
    0  
   65    66    67    68    72    74    76  
   66    67    76  
   67    76  
   76  
   69    70    74    75    79    81    76    77    78    72    73  
   70    74    75    76    77    72  
   74    75    76    77    72  
   75    79    80    85    86  
   73    74    76  
    0  
   75    79    80    85    81    82    83    84    76    77    78  
   79    80    85    86    81    82    83    84    76    77    78  
   77    78    79    81  
   78    79    81  
    0  
   80    85    86    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    57   268.000  1.529
   55    76   320.000  1.410
   55    64   268.000  1.529
   57    58   340.000  1.090
   57    68   268.000  1.529
   57    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   250.000  1.527
   74    75   317.000  1.510
   74    76   320.000  1.380
   74    77   380.000  1.407
   75    79   549.000  1.340
   75    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    53   268.000  1.529
   85    71   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    71   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   553.000  0.945
   72    73   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    53    85    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    58.35000  112.70000
   50    55    76    50.00000  109.50000
   50    55    64    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    68    58.35000  112.70000
   55    57    72    50.00000  109.50000
   55    76    74    60.00000  109.50000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   57    68    69    37.50000  110.70000
   57    68    70    37.50000  110.70000
   57    68    74    75.00000  109.43000
   57    72    73    55.00000  108.50000
   68    57    58    37.50000  110.70000
   68    74    75    70.00000  112.02700
   68    74    76    90.00000  108.56700
   68    74    77    90.00000  110.19100
   70    68    69    33.00000  107.80000
   74    68    69    45.00000  108.72000
   74    68    70    45.00000  108.72000
   74    75    79    70.00000  124.00000
   74    75    81    65.00000  117.92700
   74    77    78    70.00000  107.92000
   75    79    80    35.00000  120.00000
   75    79    85    70.00000  124.00000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    53    70.00000  112.02700
   79    85    71    85.00000  110.90400
   85    79    80    35.00000  117.00000
   85    53    54    37.50000  110.70000
   85    53    56    70.00000  112.02700
   85    71    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    85    86    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    71    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   71    85    86    35.00000  109.50000
   71    85    53    50.00000  109.50000
   71    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   81    75    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    55    57    50.00000  109.50000
   76    74    75    85.00000  110.90400
   77    74    75    90.00000  110.39200
   77    74    76   110.00000  112.08000
   72    57    58    35.00000  109.50000
   72    57    68    50.00000  109.50000
   64    55    57    58.35000  112.70000
   64    55    76    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   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    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.62750  1.0 1.0
   47    48    50    55  -0.30950 -1.0 2.0
   47    48    50    55   0.27300  1.0 3.0
   47    48    53    85   0.62750  1.0 1.0
   47    48    53    85  -0.30950 -1.0 2.0
   47    48    53    85   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.56750  1.0 1.0
   48    50    55    57  -0.07550 -1.0 2.0
   48    50    55    57   0.20000  1.0 3.0
   48    50    55    76   0.62750  1.0 1.0
   48    50    55    76  -0.30950 -1.0 2.0
   48    50    55    76   0.27300  1.0 3.0
   48    50    55    64   0.56750  1.0 1.0
   48    50    55    64  -0.07550 -1.0 2.0
   48    50    55    64   0.20000  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    85   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    85   0.56750  1.0 1.0
   50    48    53    85  -0.07550 -1.0 2.0
   50    48    53    85   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    68   0.56750  1.0 1.0
   50    55    57    68  -0.07550 -1.0 2.0
   50    55    57    68   0.20000  1.0 3.0
   50    55    57    72   0.86500  1.0 1.0
   50    55    57    72  -0.17500 -1.0 2.0
   50    55    57    72   0.20800  1.0 3.0
   50    55    76    74   0.06250  1.0 1.0
   50    55    76    74  -0.01100 -1.0 2.0
   50    55    76    74   0.28050  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    66   0.15000  1.0 3.0
   50    55    64    67   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    76   0.23400  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    76   0.23400  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   55    57    68    69   0.15000  1.0 3.0
   55    57    68    70   0.15000  1.0 3.0
   55    57   -68    74   3.97050  1.0 1.0
   55    57    72    73  -0.11600  1.0 1.0
   55    57    72    73  -0.09450 -1.0 2.0
   55    57    72    73   0.21250  1.0 3.0
   57    55   -76    74   0.06250  1.0 1.0
   57    55   -76    74  -0.01100 -1.0 2.0
   57    55   -76    74   0.28050  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    66   0.15000  1.0 3.0
   57    55    64    67   0.15000  1.0 3.0
   57    68    74    75   0.34400  1.0 1.0
   57    68    74    75   0.09450 -1.0 2.0
   57    68    74    75   0.11100  1.0 3.0
   57    68   -74    76   0.62750  1.0 1.0
   57    68   -74    76  -0.30950 -1.0 2.0
   57    68   -74    76   0.27300  1.0 3.0
   57    68    74    77   0.86500  1.0 1.0
   57    68    74    77  -0.17500 -1.0 2.0
   57    68    74    77   0.20800  1.0 3.0
   58    57    68    69   0.15000  1.0 3.0
   58    57    68    70   0.15000  1.0 3.0
   58    57    68    74   0.15000  1.0 3.0
   58    57    72    73   0.19450  1.0 3.0
   68    57    72    73  -0.11600  1.0 1.0
   68    57    72    73  -0.09450 -1.0 2.0
   68    57    72    73   0.21250  1.0 3.0
   68    74    75    79   0.09850  1.0 1.0
   68    74    75    79   0.15250 -1.0 2.0
   68    74    75    79  -0.50650  1.0 3.0
   68    74    75    81   0.46850  1.0 1.0
   68    74    75    81   0.08550 -1.0 2.0
   68    74    75    81   0.09800  1.0 3.0
   68    74   -76    55   0.06250  1.0 1.0
   68    74   -76    55  -0.01100 -1.0 2.0
   68    74   -76    55   0.28050  1.0 3.0
   68    74    77    78  -0.11600  1.0 1.0
   68    74    77    78  -0.09450 -1.0 2.0
   68    74    77    78   0.21250  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.23400  1.0 3.0
   69    68    74    77   0.23400  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.23400  1.0 3.0
   70    68    74    77   0.23400  1.0 3.0
   74    75    79    80   7.00000 -1.0 2.0
   74    75    79    85   7.00000 -1.0 2.0
   74    75    81    82   0.34800  1.0 3.0
   74    75    81    83   0.34800  1.0 3.0
   74    75    81    84   0.34800  1.0 3.0
   75    74    76    55  -0.77900  1.0 1.0
   75    74    76    55  -0.36900 -1.0 2.0
   75    74    76    55   0.40400  1.0 3.0
   75    74    77    78  -0.07800  1.0 1.0
   75    74    77    78  -0.21500 -1.0 2.0
   75    74    77    78  -0.03150  1.0 3.0
   75    79    85    86   0.00000  1.0 1.0
   75    79    85    53   0.09850  1.0 1.0
   75    79    85    53   0.15250 -1.0 2.0
   75    79    85    53  -0.50650  1.0 3.0
   75    79    85    71   0.39000  1.0 1.0
   75    79    85    71  -0.05800 -1.0 2.0
   75    79    85    71  -0.55150  1.0 3.0
   79    75    81    82   0.00000  1.0 1.0
   79    75    81    83   0.00000  1.0 1.0
   79    75    81    84   0.00000  1.0 1.0
   79    85    53    48   0.34400  1.0 1.0
   79    85    53    48   0.09450 -1.0 2.0
   79    85    53    48   0.11100  1.0 3.0
   79    85    53    54   0.15000  1.0 3.0
   79    85    53    56   0.31000  1.0 1.0
   79    85    53    56   0.14700 -1.0 2.0
   79    85    53    56   0.07550  1.0 3.0
   79    85    71    59  -0.82050  1.0 1.0
   79    85    71    59   0.00600 -1.0 2.0
   79    85    71    59   0.04400  1.0 3.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    53   0.00000  1.0 1.0
   80    79    85    71   0.00000  1.0 1.0
   85    53   -56    59   0.09700  1.0 1.0
   85    53   -56    59   0.15600 -1.0 2.0
   85    53   -56    59  -0.50800  1.0 3.0
   85    53    56    61   0.09850  1.0 1.0
   85    53    56    61   0.15250 -1.0 2.0
   85    53    56    61  -0.50650  1.0 3.0
   86    85    53    48   0.15000  1.0 3.0
   86    85    53    54   0.15000  1.0 3.0
   86    85    53    56   0.15000  1.0 3.0
   86    85    71    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.56750  1.0 1.0
   53    48    50    55  -0.07550 -1.0 2.0
   53    48    50    55   0.20000  1.0 3.0
   53    85   -71    59  -0.25900  1.0 1.0
   53    85   -71    59  -0.47000 -1.0 2.0
   53    85   -71    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    71  -0.15000  1.0 1.0
   53    56   -59    71   0.89550 -1.0 2.0
   53    56   -59    71  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -71    85   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    71    85   3.00000 -1.0 2.0
   71    85    53    48   0.62750  1.0 1.0
   71    85    53    48  -0.30950 -1.0 2.0
   71    85    53    48   0.27300  1.0 3.0
   71    85    53    54   0.23400  1.0 3.0
   71    85   -53    56   0.61850  1.0 1.0
   71    85   -53    56  -0.22750 -1.0 2.0
   71    85   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    71  -0.56150  1.0 1.0
   61    56    59    71   2.19150 -1.0 2.0
   81    75    79    80   7.00000 -1.0 2.0
   81    75    79    85   7.00000 -1.0 2.0
   76    55    57    58   0.23400  1.0 3.0
   76    55   -57    68   0.62750  1.0 1.0
   76    55   -57    68  -0.30950 -1.0 2.0
   76    55   -57    68   0.27300  1.0 3.0
   76    55    57    72   3.69350  1.0 1.0
   76    55    57    72  -1.82950 -1.0 2.0
   76    55    64    65   0.23400  1.0 3.0
   76    55    64    66   0.23400  1.0 3.0
   76    55    64    67   0.23400  1.0 3.0
   76    74    75    79   0.39000  1.0 1.0
   76    74    75    79  -0.05800 -1.0 2.0
   76    74    75    79  -0.55150  1.0 3.0
   76    74    75    81   0.09700  1.0 1.0
   76    74    75    81   0.15600 -1.0 2.0
   76    74    75    81  -0.50800  1.0 3.0
   76    74    77    78  -0.50000  1.0 1.0
   76    74    77    78  -0.73950 -1.0 2.0
   76    74    77    78   0.17150  1.0 3.0
   77    74    75    79   0.67800  1.0 1.0
   77    74    75    79   0.47050 -1.0 2.0
   77    74    75    79  -0.62500  1.0 3.0
   77    74    75    81   0.18000  1.0 1.0
   77    74    75    81   0.16450 -1.0 2.0
   77    74    75    81   0.04450  1.0 3.0
   77    74    76    55  -0.70900  1.0 1.0
   77    74    76    55  -1.18000 -1.0 2.0
   77    74    76    55   0.91650  1.0 3.0
   72    57    68    69   0.23400  1.0 3.0
   72    57    68    70   0.23400  1.0 3.0
   72    57    68    74   0.86500  1.0 1.0
   72    57    68    74  -0.17500 -1.0 2.0
   72    57    68    74   0.20800  1.0 3.0
   64    55    57    58   0.15000  1.0 3.0
   64    55    57    68   0.56750  1.0 1.0
   64    55    57    68  -0.07550 -1.0 2.0
   64    55    57    68   0.20000  1.0 3.0
   64    55    57    72   0.86500  1.0 1.0
   64    55    57    72  -0.17500 -1.0 2.0
   64    55    57    72   0.20800  1.0 3.0
   64    55    76    74   0.06250  1.0 1.0
   64    55    76    74  -0.01100 -1.0 2.0
   64    55    76    74   0.28050  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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    47    41    42  10.50000 -1.0 2.0
   74    81    75    79   1.10000 -1.0 2.0
   85    80    79    75   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    71    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
