* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    28.67222    95.86625   -21.19577
    2     1 S   H    _HN1     2     1.02827    41.18089   142.13765
    3     1 S   H    _H1_     3     1.02781    91.31168  -101.71243
    4     1 S   H    _H2_     4     1.02948    77.47059     6.82378
    5     1 S   CT   _CA1     5     1.50100   149.84374   115.96099
    6     5 S   HC   _HA1     6     1.09576   105.22354    77.32266
    7     5 S   CO3  _C1_     7     1.53841   112.45346   -42.93946
    8     7 S   O2Z  _O11     8     1.26377   114.98129   -42.11819
    9     7 S   O2Z  _O12     9     1.26245   115.01658   137.06236
   10     5 S   CT   _CB1    10     1.53120   107.42215  -164.62448
   11    10 S   HC   HB11    11     1.09820   109.50178   -49.14016
   12    10 S   HC   HB12    12     1.09805   110.49714    67.61321
   13    10 S   CT   _CG1    13     1.52866   112.33476  -170.06047
   14    13 S   HC   HG11    14     1.09570   110.52985   -63.62937
   15    13 S   HC   HG12    15     1.09601   109.60442    55.63826
   16    13 S   C    _CD1    16     1.51688   112.66690   175.74596
   17    16 S   O    _OE1    17     1.22700   123.38796     0.45370
   18    16 S   N    _N2_    18     1.38621   111.41433  -179.25244
   19    18 S   H    _HN2    19     1.01538   118.84458     1.30401
   20    18 S   CT1  _CA2    20     1.46172   123.59778   178.03457
   21    20 S   HC   _HA2    21     1.09717   109.33410     0.85684
   22    20 S   C    _C2_    22     1.53518   108.46633  -114.78638
   23    22 S   O    _O2_    23     1.23028   122.25385  -149.17767
   24    20 S   CT   _CB2    32     1.53308   111.51728   122.83453
   25    24 S   HC   HB21    33     1.09389   109.90741    58.43470
   26    24 S   HC   HB22    34     1.09506   110.35225   177.42283
   27    22 S   N    _N3_    24     1.38355   113.65531    38.16223
   28    27 S   H    _HN3    25     1.01562   119.32444    -0.97438
   29    24 S   S    _SG2    35     1.82600   111.64575   -62.19372
   30    27 S   CT   _CA3    26     1.45324   123.36849   177.54027
   31    30 S   HC   HA31    27     1.09521   107.45216   -75.54515
   32    30 S   HC   HA32    28     1.09524   108.49207    40.88474
   33    29 S   CT   _C18    36     1.82130    99.06869   170.89882
   34    33 S   HC   _H10    37     1.09608   108.19914   -58.80445
   35    30 S   CO3  _C3_    29     1.52854   113.04835   164.25168
   36    35 S   O2Z  _O31    30     1.26423   115.50855    36.81246
   37    35 S   O2Z  _O32    31     1.26369   114.97814  -143.01621
   38    33 S   CT   _C17    38     1.52669   110.89609   179.32449
   39    38 S   HC   _H9_    39     1.09778   111.58359   -36.54369
   40    38 S   CT   _C16    40     1.51793   101.76524  -152.64485
   41    40 S   HC   _H8_    41     1.09387   112.96759   161.81918
   42    38 S   OH   _O42    89     1.41512   112.31175    85.89936
   43    42 S   HO   _H17    90     0.97221   107.56272   166.53316
   44    40 S   CT   _C15    42     1.52468   100.39333    40.40688
   45    44 S   HC   _H7_    43     1.09753   110.28449    76.42433
   46    40 S   OH   _O43    87     1.42487   109.65008   -77.29683
   47    46 S   HO   _H18    88     0.97236   107.86705  -176.93829
   48    33 S   OS   _O41    44     1.43938   112.26185    60.67211
   49    44 S   CT   _C14    45     1.52011   115.26173  -158.11060
   50    49 S   HC   _H15    46     1.09454   110.81124    67.88985
   51    49 S   HC   _H16    47     1.09429   110.78130   -53.54978
   52    49 S   OS   _O40    48     1.42561   108.73612  -172.02034
   53    52 S   P2   _P2_    49     1.63614   118.37767  -157.04518
   54    53 S   O2Z  _O39    50     1.51216   107.91134  -179.12285
   55    53 S   O2Z  _O38    51     1.51289   108.53497   -46.37427
   56    53 S   OS   _O37    52     1.62487    98.52110    67.54714
   57    56 S   P2   _P1_    53     1.62403   131.71681  -176.14939
   58    57 S   O2Z  _O36    54     1.51285   109.38223    63.19203
   59    57 S   O2Z  _O35    55     1.51233   109.05708   -70.87437
   60    57 S   OS   _O34    56     1.63641    98.81251   176.68784
   61    60 S   CT   _C13    57     1.42638   118.73332   -64.21130
   62    61 S   HC   _H13    58     1.09414   108.83950   -54.35728
   63    61 S   HC   _H14    59     1.09440   108.28811    64.87425
   64    61 S   CT   _C12    60     1.52128   108.52924  -174.48580
   65    64 S   HC   _H6_    61     1.09745   110.03358    44.11003
   66    64 S   CT   _C11    62     1.52845   114.92734   169.11798
   67    66 S   HC   _H5_    63     1.09448   111.22328   -82.33731
   68    66 S   CT   _C10    64     1.51574   101.63663   155.60520
   69    68 S   HC   _H4_    65     1.09448   114.59797  -158.59979
   70    66 S   OH   _O44    85     1.42271   110.87856    38.97346
   71    70 S   HO   _H19    86     0.97257   107.66918   179.00377
   72    68 S   CO   _C9_    66     1.52925   101.21579   -38.43428
   73    72 S   HC   _H3_    67     1.09678   110.41846   -84.55906
   74    68 S   OH   _O45    83     1.42469   109.22172    78.98052
   75    74 S   HO   _H20    84     0.97266   107.55042    67.62859
   76    72 S   N*   _N6_    68     1.44730   115.38635   153.31042
   77    64 S   OS   _O33    82     1.44458   109.51784   -71.78742
   78    76 S   CRAB _C8_    69     1.36863   127.32054   -98.11382
   79    78 S   HA   _H12    70     1.08184   122.77539    -0.35443
   80    78 S   NNA  _N7_    71     1.31630   112.01706   179.62258
   81    80 S   C56B _C6_    72     1.37444   105.08369    -0.09691
   82    76 S   C56A _C7_    73     1.36892   125.44592    81.17168
   83    82 S   NB   _N5_    74     1.34212   127.80591     0.41825
   84    83 S   CQ   _C4_    75     1.34738   110.65275  -179.66254
   85    84 S   HA   _H11    76     1.08509   115.86764   179.74977
   86    84 S   NB   _N4_    77     1.35362   128.56932    -0.62118
   87    81 S   CA   _C5_    78     1.40311   131.78538   179.90309
   88    87 S   NND  _N8_    79     1.38051   122.29923    -0.81205
   89    88 S   H    _H21    80     1.01274   120.51942    -3.66340
   90    88 S   H    _H22    81     1.00985   119.48885  -177.63404
  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   8   5   4   3
  12   6   2   1   1  11   7  12   7   4   1   9   6   3   1   4
   7   3   2   5   7   3   2   5   7   3   2   7  10   5   4  12
   6  11   7  11   7   4   1  11   5   3   1   9   2   6   3   6
   8   6   4   4   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    46    42    43  
   38    39    40    44    48    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    49    46    47    42    43  
   40    41    44    48    46    42    43  
   41    44    45    48    49    50    51    52    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    48  
    0  
   45    48    49    50    51    52    53    46    47  
   48    49    50    51    52    46  
   47    48    49  
    0  
   49    50    51    52  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    77  
   62    63    64    65    66    67    68    72    77    70  
   63    64    65    66    77  
   64    65    66    77  
   65    66    67    68    69    72    73    76    77    74    70    71  
   66    67    68    72    77    70  
   67    68    69    72    73    76    77    74    75    70    71  
   68    69    72    77    74    70    71  
   69    72    73    76    78    82    77    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74    77  
    0  
   73    76    78    79    80    81    82    83    77    74    75  
   76    78    82    77    74  
   75    76    77  
    0  
   78    79    80    81    82    83    84    87    77  
   78    82  
   79    80    81    82    83    87  
   80    81    82  
   81    82    83    86    87    88  
   82    83    84    86    87    88    89    90  
   83    84    85    86    87    88  
   84    85    86    87  
   85    86    87    88  
   86    87  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   81   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   84   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   86   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   87   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   89   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   90   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   320.000  1.410
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    77   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   320.000  1.410
   68    69   340.000  1.090
   68    72   250.000  1.527
   68    74   320.000  1.410
   72    73   340.000  1.090
   72    76   275.000  1.479
   72    77   320.000  1.380
   76    78   440.000  1.371
   76    82   436.000  1.374
   78    79   367.000  1.080
   78    80   529.000  1.304
   80    81   414.000  1.391
   81    82   447.000  1.419
   81    87   469.000  1.404
   82    83   461.000  1.354
   83    84   502.000  1.324
   84    85   367.000  1.080
   84    86   502.000  1.324
   86    87   483.000  1.339
   87    88   481.000  1.340
   88    89   434.000  1.010
   88    90   434.000  1.010
   74    75   553.000  0.945
   70    71   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    50.00000  109.50000
   40    44    49    58.35000  112.70000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    50.00000  109.50000
   48    33    34    35.00000  109.50000
   48    33    38    50.00000  109.50000
   48    44    45    35.00000  109.50000
   49    44    45    37.50000  110.70000
   49    44    48    50.00000  109.50000
   49    52    53   100.00000  120.50000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    50.00000  132.62000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61   100.00000  120.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    77    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    70    50.00000  109.50000
   64    77    72    60.00000  109.50000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    72    75.00000  109.43000
   66    68    74    50.00000  109.50000
   66    70    71    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    72    73    45.00000  112.01100
   68    72    76    75.00000  107.44000
   68    72    77    90.00000  108.56700
   68    74    75    55.00000  108.50000
   72    68    69    45.00000  108.72000
   72    76    78    70.00000  128.80000
   72    76    82    70.00000  125.80000
   76    72    73    55.00000  103.44000
   76    78    79    35.00000  123.05000
   76    78    80    70.00000  113.90000
   76    82    81    70.00000  106.20000
   76    82    83    70.00000  126.20000
   78    80    81    70.00000  103.80000
   80    78    79    35.00000  123.05000
   80    81    82    70.00000  110.40000
   80    81    87    70.00000  132.40000
   81    82    83    70.00000  127.70000
   81    87    86    70.00000  117.30000
   81    87    88    70.00000  123.50000
   82    76    78    70.00000  105.40000
   82    83    84    70.00000  111.00000
   83    84    85    35.00000  115.45000
   83    84    86    70.00000  129.10000
   84    86    87    70.00000  118.60000
   86    84    85    35.00000  115.45000
   86    87    88    70.00000  119.30000
   87    81    82    85.00000  116.20000
   87    88    89    35.00000  120.00000
   87    88    90    35.00000  120.00000
   90    88    89    35.00000  120.00000
   77    64    65    35.00000  109.50000
   77    64    66    50.00000  109.50000
   77    72    73    35.00000  109.50000
   77    72    76   105.00000  106.22000
   74    68    69    35.00000  109.50000
   74    68    72    90.00000  111.58700
   70    66    67    35.00000  109.50000
   70    66    68    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.13850  1.0 1.0
   24    29    33    48  -1.34450 -1.0 2.0
   24    29    33    48   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.14700  1.0 1.0
   29    33    48    44  -1.16150 -1.0 2.0
   29    33    48    44   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.56750  1.0 1.0
   33    38   -40    44  -0.07550 -1.0 2.0
   33    38   -40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.37050  1.0 3.0
   38    33   -48    44   0.06250  1.0 1.0
   38    33   -48    44  -0.01100 -1.0 2.0
   38    33   -48    44   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49   0.56750  1.0 1.0
   38    40    44    49  -0.07550 -1.0 2.0
   38    40    44    49   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.62750  1.0 1.0
   40    44    49    52  -0.30950 -1.0 2.0
   40    44    49    52   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    49    52    53  -2.65550  1.0 1.0
   44    49    52    53  -0.22350 -1.0 2.0
   44    49    52    53   0.24150  1.0 3.0
   45    44    48    33   0.37050  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.23400  1.0 3.0
   48    33    38    39   0.23400  1.0 3.0
   48    33   -38    40   0.62750  1.0 1.0
   48    33   -38    40  -0.30950 -1.0 2.0
   48    33   -38    40   0.27300  1.0 3.0
   48    33    38    42   3.69350  1.0 1.0
   48    33    38    42  -1.82950 -1.0 2.0
   48    44    49    50   0.23400  1.0 3.0
   48    44    49    51   0.23400  1.0 3.0
   48    44    49    52   1.11900  1.0 1.0
   48    44    49    52  -1.16350 -1.0 2.0
   48    44    49    52  -0.34150  1.0 3.0
   49    44    48    33   0.06250  1.0 1.0
   49    44    48    33  -0.01100 -1.0 2.0
   49    44    48    33   0.28050  1.0 3.0
   49    52    53    54   0.00000  1.0 1.0
   49    52    53    55   0.00000  1.0 1.0
   49    52    53    56   0.05050  1.0 1.0
   49    52    53    56  -1.30700 -1.0 2.0
   49    52    53    56   0.91550  1.0 3.0
   50    49    52    53   0.03000  1.0 3.0
   51    49    52    53   0.03000  1.0 3.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.15000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  1.0 3.0
   56    57    60    61   0.05050  1.0 1.0
   56    57    60    61  -1.30700 -1.0 2.0
   56    57    60    61   0.91550  1.0 3.0
   57    60    61    62   0.03000  1.0 3.0
   57    60    61    63   0.03000  1.0 3.0
   57    60    61    64  -2.65550  1.0 1.0
   57    60    61    64  -0.22350 -1.0 2.0
   57    60    61    64   0.24150  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   60    61    64    65   0.23400  1.0 3.0
   60    61    64    66   0.62750  1.0 1.0
   60    61    64    66  -0.30950 -1.0 2.0
   60    61    64    66   0.27300  1.0 3.0
   60    61    64    77   1.11900  1.0 1.0
   60    61    64    77  -1.16350 -1.0 2.0
   60    61    64    77  -0.34150  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    70   0.86500  1.0 1.0
   61    64    66    70  -0.17500 -1.0 2.0
   61    64    66    70   0.20800  1.0 3.0
   61    64    77    72   0.06250  1.0 1.0
   61    64    77    72  -0.01100 -1.0 2.0
   61    64    77    72   0.28050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    77   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    77   0.23400  1.0 3.0
   64    66    68    69   0.15000  1.0 3.0
   64    66   -68    72   3.97050  1.0 1.0
   64    66    68    74   0.86500  1.0 1.0
   64    66    68    74  -0.17500 -1.0 2.0
   64    66    68    74   0.20800  1.0 3.0
   64    66    70    71  -0.11600  1.0 1.0
   64    66    70    71  -0.09450 -1.0 2.0
   64    66    70    71   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    70   0.23400  1.0 3.0
   65    64    77    72   0.37050  1.0 3.0
   66    64   -77    72   0.06250  1.0 1.0
   66    64   -77    72  -0.01100 -1.0 2.0
   66    64   -77    72   0.28050  1.0 3.0
   66    68    72    73   0.15000  1.0 3.0
   66    68    72    76  -0.64600  1.0 1.0
   66    68    72    76   0.58400 -1.0 2.0
   66    68   -72    77   0.62750  1.0 1.0
   66    68   -72    77  -0.30950 -1.0 2.0
   66    68   -72    77   0.27300  1.0 3.0
   66    68    74    75  -0.11600  1.0 1.0
   66    68    74    75  -0.09450 -1.0 2.0
   66    68    74    75   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.15000  1.0 3.0
   67    66    68    74   0.23400  1.0 3.0
   67    66    70    71   0.19450  1.0 3.0
   68    66    70    71  -0.11600  1.0 1.0
   68    66    70    71  -0.09450 -1.0 2.0
   68    66    70    71   0.21250  1.0 3.0
   68    72    76    78   1.10250  1.0 1.0
   68    72    76    78   0.01650 -1.0 2.0
   68    72    76    78   0.39100  1.0 3.0
   68    72    76    82   1.10250  1.0 1.0
   68    72    76    82   0.01650 -1.0 2.0
   68    72    76    82   0.39100  1.0 3.0
   68    72   -77    64   0.06250  1.0 1.0
   68    72   -77    64  -0.01100 -1.0 2.0
   68    72   -77    64   0.28050  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    77   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75  -0.11600  1.0 1.0
   72    68    74    75  -0.09450 -1.0 2.0
   72    68    74    75   0.21250  1.0 3.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76    78    80   3.62500 -1.0 2.0
   72    76    82    81   0.81400  1.0 1.0
   72    76    82    81   1.55550 -1.0 2.0
   72    76    82    83   3.62500 -1.0 2.0
   73    72    76    78   0.00000  1.0 1.0
   73    72    76    82   0.00000  1.0 1.0
   73    72    77    64   0.37050  1.0 3.0
   76    72    77    64  -2.37750  1.0 1.0
   76    72    77    64  -0.08150 -1.0 2.0
   76    72    77    64   0.59000  1.0 3.0
   76    78   -80    81   3.62500 -1.0 2.0
   76    82    83    84   3.62500 -1.0 2.0
   78    76   -82    81   0.70250  1.0 1.0
   78    76   -82    81   1.56150 -1.0 2.0
   78    76    82    83   3.62500 -1.0 2.0
   78    80   -81    82   3.62500 -1.0 2.0
   78    80    81    87   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    81   -82    76   3.62500 -1.0 2.0
   80    81    82    83   3.62500 -1.0 2.0
   80    81    87    86   3.62500 -1.0 2.0
   80    81    87    88   3.62500 -1.0 2.0
   81    82    83    84   3.62500 -1.0 2.0
   81    87    88    89   0.70000 -1.0 2.0
   81    87    88    90   0.70000 -1.0 2.0
   82    76    78    79   3.62500 -1.0 2.0
   82    76   -78    80   3.62500 -1.0 2.0
   82    81    87    86   3.62500 -1.0 2.0
   82    81    87    88   3.62500 -1.0 2.0
   82    83    84    85   3.62500 -1.0 2.0
   82    83   -84    86   3.62500 -1.0 2.0
   83    84    86    87   3.62500 -1.0 2.0
   84    86   -87    81   3.62500 -1.0 2.0
   84    86    87    88   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    87    88    89   0.70000 -1.0 2.0
   86    87    88    90   0.70000 -1.0 2.0
   87    81    82    76   3.00000 -1.0 2.0
   87    81   -82    83   3.62500 -1.0 2.0
   77    64    66    67   0.23400  1.0 3.0
   77    64   -66    68   0.62750  1.0 1.0
   77    64   -66    68  -0.30950 -1.0 2.0
   77    64   -66    68   0.27300  1.0 3.0
   77    64    66    70   3.69350  1.0 1.0
   77    64    66    70  -1.82950 -1.0 2.0
   77    72    76    78   0.10350  1.0 1.0
   77    72    76    78  -0.15350 -1.0 2.0
   77    72    76    82   0.10350  1.0 1.0
   77    72    76    82  -0.15350 -1.0 2.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   2.76900  1.0 1.0
   74    68    72    76  -0.24350 -1.0 2.0
   74    68    72    76  -0.78250  1.0 3.0
   74    68    72    77   3.69350  1.0 1.0
   74    68    72    77  -1.82950 -1.0 2.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    72   0.86500  1.0 1.0
   70    66    68    72  -0.17500 -1.0 2.0
   70    66    68    72   0.20800  1.0 3.0
   70    66    68    74   3.75450  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   0.86500  1.0 1.0
   46    40    44    49  -0.17500 -1.0 2.0
   46    40    44    49   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
   78    82    76    72   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    87    81    80   4.00000 -1.0 2.0
   81    83    82    76   4.00000 -1.0 2.0
   86    85    84    83   1.10000 -1.0 2.0
   86    88    87    81   4.00000 -1.0 2.0
   90    87    88    89   1.00000 -1.0 2.0
END
