* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    161    225     452
    1     0 S   NP   _N1_     1    29.56588   101.56931   -21.78071
    2     1 S   H    _HN1     2     1.02952    49.26149    25.27115
    3     1 S   H    _H1_     3     1.02828    69.16570   163.15930
    4     1 S   H    _H2_     4     1.02782    91.22897   -88.13833
    5     1 S   CT   _CA1     5     1.50101   154.32063    68.43391
    6     5 S   HC   _HA1     6     1.09575   105.21305   143.91265
    7     5 S   CO3  _C1_     7     1.53825   112.50982    23.69398
    8     7 S   O2Z  _O11     8     1.26371   114.99916   -41.60348
    9     7 S   O2Z  _O12     9     1.26252   114.96175   137.61816
   10     5 S   CT   _CB1    10     1.53101   107.43647   -98.10570
   11    10 S   HC   HB11    11     1.09824   109.43582   -50.14740
   12    10 S   HC   HB12    12     1.09815   110.41145    66.50391
   13    10 S   CT   _CG1    13     1.52930   112.52102  -171.17372
   14    13 S   HC   HG11    14     1.09551   110.42804   -64.48988
   15    13 S   HC   HG12    15     1.09664   109.90306    54.70170
   16    13 S   C    _CD1    16     1.51755   112.48257   175.32362
   17    16 S   O    _OE1    17     1.22704   123.37327     3.15082
   18    16 S   N    _N2_    18     1.38601   111.45658  -177.03139
   19    18 S   H    _HN2    19     1.01558   118.91650     2.28482
   20    18 S   CT1  _CA2    20     1.46178   123.58885   179.33914
   21    20 S   HC   _HA2    21     1.09732   109.42996    -2.15740
   22    20 S   C    _C2_    22     1.53477   108.60245  -117.72046
   23    22 S   O    _O2_    23     1.23049   122.32442  -149.15465
   24    20 S   CT   _CB2    32     1.53332   111.20777   119.93638
   25    24 S   HC   HB21    33     1.09488   109.59439    54.77584
   26    24 S   HC   HB22    34     1.09506   110.23257   173.97940
   27    22 S   N    _N3_    24     1.38345   113.62851    38.37855
   28    27 S   H    _HN3    25     1.01611   119.51768    -3.51346
   29    24 S   S    _SG2    35     1.82855   111.15248   -66.65443
   30    27 S   CT   _CA3    26     1.45280   123.17564   177.05244
   31    30 S   HC   HA31    27     1.09551   107.51748   -64.26813
   32    30 S   HC   HA32    28     1.09559   107.96633    52.15338
   33    29 S   CT   _C19    36     1.87629   101.42075   170.07340
   34    30 S   CO3  _C3_    29     1.52945   114.11159   174.14583
   35    34 S   O2Z  _O31    30     1.26372   116.07108    -0.69239
   36    34 S   O2Z  _O32    31     1.26432   114.40834   179.36696
   37    33 S   CT   _C20    37     1.55133   106.20016  -102.70024
   38    37 S   HC   _H22    38     1.09716   111.41572   -56.37122
   39    37 S   HC   _H23    39     1.09686   110.96571  -172.85372
   40    33 S   CT   _C5_    47     1.58541   109.52038   137.37202
   41    40 S   HC   _H3_    48     1.09951   105.65850   176.30308
   42    33 S   OS   _O36    86     1.44094   109.17713    16.78257
   43    37 S   CO4  _C21    40     1.51654   114.69787    66.91957
   44    43 S   O    _O34    41     1.22401   124.28071    70.15329
   45    40 S   CT   _C4_    49     1.54288   114.20597    61.18730
   46    45 S   HC   _H6_    50     1.09351   112.63588   -62.59546
   47    45 S   HC   _H7_    51     1.09474   111.01591   177.01942
   48    45 S   HC   _H8_    52     1.09370   111.34837    59.05883
   49    40 S   CT   _C6_    53     1.56698   112.86270   -67.99141
   50    49 S   HC   _H4_    54     1.09654   109.23885   -36.21251
   51    42 S   CT   _C23    87     1.41992   118.19977  -179.78694
   52    51 S   HC   _H27    88     1.09394   107.62864   173.34380
   53    51 S   HC   _H28    89     1.09161   112.27885    54.91239
   54    51 S   HC   _H29    90     1.09222   111.32993   -69.20713
   55    43 S   OS   _O35    42     1.36432   110.08013  -110.06708
   56    49 S   CM   _C7_    55     1.51198   110.92754  -156.99204
   57    56 S   HC   _H9_    56     1.08764   116.68988   -69.43711
   58    49 S   OS   _O33    81     1.43298   109.82110    83.52002
   59    55 S   CT   _C22    43     1.43052   115.31137  -179.30846
   60    59 S   HC   _H24    44     1.09311   108.14084   179.09043
   61    59 S   HC   _H25    45     1.09421   110.31874    60.42280
   62    59 S   HC   _H26    46     1.09407   110.25630   -62.14830
   63    56 S   CM   _C8_    57     1.34366   123.58609   111.28217
   64    63 S   HC   _H10    58     1.08809   118.06247    -0.28186
   65    58 S   CT   _C18    82     1.42238   113.25637  -153.78356
   66    65 S   HC   _H19    83     1.09331   108.18856  -179.73756
   67    65 S   HC   _H20    84     1.09430   110.42694    61.73347
   68    65 S   HC   _H21    85     1.09377   111.00190   -60.79752
   69    63 S   C5B  _C9_    59     1.42724   125.11377   179.80820
   70    69 S   C5A  _C10    60     1.37878   124.17617  -179.40095
   71    70 S   HA   _H11    61     1.08113   129.16678     0.10087
   72    70 S   SA   _S1_    62     1.71463   109.57914  -179.86583
   73    72 S   CRA  _C11    63     1.72263    89.66899    -0.10279
   74    73 S   CT   _C12    64     1.50760   120.26933   179.66721
   75    74 S   HC   _H5_    65     1.09737   109.27722    12.83009
   76    69 S   N5B  _N4_    80     1.37986   120.20155     0.77582
   77    74 S   CT   _C13    66     1.52652   112.34300  -107.19431
   78    77 S   HC   _H12    67     1.09385   114.01867    29.11872
   79    77 S   HC   _H13    68     1.09504   110.34034   151.93823
   80    77 S   S    _S2_    69     1.80277   103.81670   -92.83671
   81    80 S   CD   _C14    70     1.75343    90.50596   -23.31564
   82    74 S   NI   _N5_    71     1.48089   109.85817   130.60313
   83    81 S   CM   _C15    72     1.49205   117.91965  -166.35152
   84    83 S   CM   _C16    73     1.34283   117.03374   179.81443
   85    84 S   HC   _H14    74     1.08572   120.95391   179.85196
   86    84 S   HC   _H15    75     1.08516   122.81243    -0.06561
   87    83 S   CT   _C17    76     1.49907   121.68690    -0.44675
   88    87 S   HC   _H16    77     1.09482   110.84166    60.93266
   89    87 S   HC   _H17    78     1.09486   110.83774   -60.39654
   90    87 S   HC   _H18    79     1.09585   111.81762  -179.72589
  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  11   5   4   3
  21   2   1   1  12   6   5  15   9   7   6   2   7   3   2   1
  11   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3
   3   2   1   1   6   5   3   6   9   9   7   2   6   4   3   5
   9   3   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    45    49    42    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    55    40    41    45    46    47    48    49    50    56    58    42    51    52    53    54  
   35    36  
   36  
    0  
   38    39    43    44    55    59    40    41    45    49    42    51  
   39    43    44    55    40    42  
   43    44    55    40    42  
   41    45    46    47    48    49    50    56    57    63    58    65    42    51    43  
   45    46    47    48    49    50    56    58    42  
   51    52    53    54    43    45    49  
   44    55    59    60    61    62  
   55    59  
   46    47    48    49    50    56    58  
   47    48    49  
   48    49  
   49  
   50    56    57    63    64    69    58    65    66    67    68  
   56    57    63    58    65  
   52    53    54  
   53    54  
   54  
    0  
   59    60    61    62  
   57    63    64    69    70    76    58    65  
   63    64    69    58  
   65    66    67    68    63  
   60    61    62  
   61    62  
   62  
    0  
   64    69    70    71    72    73    76  
   69    70    76  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    76  
   71    72    73    74    76  
   72    73    76  
   73    74    75    77    82    76  
   74    75    77    78    79    80    81    82    76  
   75    77    78    79    80    81    82    83    76  
   77    78    79    80    81    82    76  
   77    82  
   78    79    80    81    82    83  
   79    80    81    82  
   80    81    82  
   81    82    83    84    87  
   82    83    84    85    86    87    88    89    90  
   83    84    87  
   84    85    86    87    88    89    90  
   85    86    87    88    89    90  
   86    87  
   87  
   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   72   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.275200   2.4950   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   77   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   81   3.7500   0.1050   0.400500   2.0020   1.7750   0.023028004  -0.852763146
   82   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   83   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    49   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    56   317.000  1.510
   49    58   320.000  1.410
   56    57   340.000  1.080
   56    63   549.000  1.340
   63    64   340.000  1.080
   63    69   320.000  1.460
   69    70   520.000  1.370
   69    76   410.000  1.394
   70    71   367.000  1.080
   70    72   265.000  1.745
   72    73   250.000  1.765
   73    74   295.000  1.488
   73    76   488.000  1.335
   74    75   340.000  1.090
   74    77   268.000  1.529
   74    82   315.000  1.435
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   222.000  1.810
   80    81   220.000  1.793
   81    82   500.000  1.261
   81    83   320.000  1.464
   83    84   549.000  1.340
   83    87   317.000  1.510
   84    85   340.000  1.080
   84    86   340.000  1.080
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   58    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    45    58.35000  112.70000
   33    40    49    58.35000  112.70000
   33    42    51    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    55    81.00000  111.40000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    55    59    83.00000  116.90000
   55    43    44    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    56    70.00000  112.02700
   40    49    58    50.00000  109.50000
   45    40    41    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    40    41    37.50000  110.70000
   49    40    45    58.35000  112.70000
   49    56    57    35.00000  117.00000
   49    56    63    70.00000  124.00000
   49    58    65    60.00000  109.50000
   56    49    50    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    69    60.00000  123.20500
   63    56    57    35.00000  120.00000
   63    69    70    60.00000  120.93500
   63    69    76    70.00000  118.40000
   69    63    64    40.00000  117.26300
   69    70    71    35.00000  130.70000
   69    70    72    80.00000  111.29200
   69    76    73    70.00000  110.00000
   70    72    73   120.00000   89.04400
   72    70    71    40.00000  122.38200
   72    73    74    65.00000  125.49400
   72    73    76    80.00000  114.57700
   73    74    75    45.00000  109.19200
   73    74    77    70.00000  112.56400
   73    74    82    80.00000  109.82000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    75.00000  111.63000
   74    82    81    70.00000  113.48600
   77    74    75    37.50000  110.70000
   77    80    81    85.00000  101.21500
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    81    82    70.00000  121.22400
   80    81    83    65.00000  122.11800
   81    83    84    60.00000  120.31500
   81    83    87    65.00000  117.22000
   82    74    75    50.00000  110.29200
   82    74    77    80.00000  110.18800
   83    81    82    70.00000  121.86000
   83    84    85    35.00000  120.00000
   83    84    86    35.00000  120.00000
   83    87    88    35.00000  109.50000
   83    87    89    35.00000  109.50000
   83    87    90    35.00000  109.50000
   86    84    85    35.00000  117.00000
   87    83    84    70.00000  124.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   76    69    70    70.00000  111.00000
   76    73    74    65.00000  125.57700
   58    49    50    35.00000  109.50000
   58    49    56    85.00000  110.90400
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   29    33    40    49   0.44750  1.0 1.0
   29    33    40    49  -0.17800 -1.0 2.0
   29    33    40    49   0.20200  1.0 3.0
   29    33    42    51   0.14700  1.0 1.0
   29    33    42    51  -1.16150 -1.0 2.0
   29    33    42    51   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    55   0.36750  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   33    40    49    50   0.15000  1.0 3.0
   33    40    49    56   0.34400  1.0 1.0
   33    40    49    56   0.09450 -1.0 2.0
   33    40    49    56   0.11100  1.0 3.0
   33    40    49    58   0.62750  1.0 1.0
   33    40    49    58  -0.30950 -1.0 2.0
   33    40    49    58   0.27300  1.0 3.0
   33    42    51    52   0.37050  1.0 3.0
   33    42    51    53   0.37050  1.0 3.0
   33    42    51    54   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.56750  1.0 1.0
   37    33    40    45  -0.07550 -1.0 2.0
   37    33    40    45   0.20000  1.0 3.0
   37    33    40    49   0.56750  1.0 1.0
   37    33    40    49  -0.07550 -1.0 2.0
   37    33    40    49   0.20000  1.0 3.0
   37    33    42    51   0.06250  1.0 1.0
   37    33    42    51  -0.01100 -1.0 2.0
   37    33    42    51   0.28050  1.0 3.0
   37    43    55    59   1.63150  1.0 1.0
   37    43    55    59   2.92000 -1.0 2.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    55   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    55   0.00000  1.0 1.0
   43    55    59    60   0.08050  1.0 3.0
   43    55    59    61   0.08050  1.0 3.0
   43    55    59    62   0.08050  1.0 3.0
   44    43    55    59   3.00000 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    42    51   0.06250  1.0 1.0
   40    33    42    51  -0.01100 -1.0 2.0
   40    33    42    51   0.28050  1.0 3.0
   40    49    56    57   0.00000  1.0 1.0
   40    49    56    63   0.09850  1.0 1.0
   40    49    56    63   0.15250 -1.0 2.0
   40    49    56    63  -0.50650  1.0 3.0
   40    49    58    65   0.06250  1.0 1.0
   40    49    58    65  -0.01100 -1.0 2.0
   40    49    58    65   0.28050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    56   0.15000  1.0 3.0
   41    40    49    58   0.23400  1.0 3.0
   45    40    49    50   0.15000  1.0 3.0
   45    40    49    56   0.34400  1.0 1.0
   45    40    49    56   0.09450 -1.0 2.0
   45    40    49    56   0.11100  1.0 3.0
   45    40    49    58   0.62750  1.0 1.0
   45    40    49    58  -0.30950 -1.0 2.0
   45    40    49    58   0.27300  1.0 3.0
   49    40    45    46   0.15000  1.0 3.0
   49    40    45    47   0.15000  1.0 3.0
   49    40    45    48   0.15000  1.0 3.0
   49    56    63    64   7.00000 -1.0 2.0
   49    56    63    69   7.00000 -1.0 2.0
   49    58    65    66   0.37050  1.0 3.0
   49    58    65    67   0.37050  1.0 3.0
   49    58    65    68   0.37050  1.0 3.0
   50    49    56    57   0.33100  1.0 3.0
   50    49    56    63   0.00000  1.0 1.0
   50    49    58    65   0.37050  1.0 3.0
   56    49    58    65  -0.77900  1.0 1.0
   56    49    58    65  -0.36900 -1.0 2.0
   56    49    58    65   0.40400  1.0 3.0
   56    63    69    70   0.15800  1.0 1.0
   56    63    69    70   1.85350 -1.0 2.0
   56    63    69    70  -0.48700  1.0 3.0
   56    63    69    76   0.11450  1.0 1.0
   56    63    69    76   1.85100 -1.0 2.0
   56    63    69    76  -0.49050  1.0 3.0
   57    56    63    64   7.00000 -1.0 2.0
   57    56    63    69   7.00000 -1.0 2.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    72   3.62500 -1.0 2.0
   63    69    76    73   3.62500 -1.0 2.0
   64    63    69    70   0.56550  1.0 3.0
   64    63    69    76   0.54250  1.0 3.0
   69    70   -72    73   3.62500 -1.0 2.0
   70    69   -76    73   2.40000 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73    74    75   0.00000  1.0 1.0
   72    73    74    77  -1.00500  1.0 1.0
   72    73    74    77  -0.91300 -1.0 2.0
   72    73    74    77   0.11400  1.0 3.0
   72    73    74    82   0.04300 -1.0 2.0
   72    73   -76    69   3.62500 -1.0 2.0
   73    74    77    78   0.43200  1.0 3.0
   73    74    77    79   0.43200  1.0 3.0
   73    74    77    80   0.56750  1.0 1.0
   73    74    77    80  -0.07550 -1.0 2.0
   73    74    77    80   0.20000  1.0 3.0
   73    74    82    81  -0.12500  1.0 1.0
   73    74    82    81  -0.12500 -1.0 2.0
   73    74    82    81   0.25000  1.0 3.0
   74    73    76    69   3.62500 -1.0 2.0
   74    77   -80    81   0.00000  1.0 1.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    82    81  -0.15000  1.0 3.0
   77    74   -82    81  -0.12500  1.0 1.0
   77    74   -82    81  -0.12500 -1.0 2.0
   77    74   -82    81   0.25000  1.0 3.0
   77    80   -81    82   2.00000 -1.0 2.0
   77    80    81    83   2.00000 -1.0 2.0
   78    77    80    81   0.24000  1.0 3.0
   79    77    80    81   0.24000  1.0 3.0
   80    81   -82    74   6.00000 -1.0 2.0
   80    81    83    84   1.09700  1.0 1.0
   80    81    83    84   0.56350 -1.0 2.0
   80    81    83    84   0.49350  1.0 3.0
   80    81    83    87   7.00000 -1.0 2.0
   81    83    84    85   7.00000 -1.0 2.0
   81    83    84    86   7.00000 -1.0 2.0
   81    83    87    88   0.00000  1.0 1.0
   81    83    87    89   0.00000  1.0 1.0
   81    83    87    90   0.00000  1.0 1.0
   82    74    77    78   0.15000  1.0 3.0
   82    74    77    79   0.15000  1.0 3.0
   82    74   -77    80   0.56750  1.0 1.0
   82    74   -77    80  -0.07550 -1.0 2.0
   82    74   -77    80   0.20000  1.0 3.0
   82    81    83    84   1.09650  1.0 1.0
   82    81    83    84   0.48950 -1.0 2.0
   82    81    83    84   0.49400  1.0 3.0
   82    81    83    87   7.00000 -1.0 2.0
   83    81    82    74   6.00000 -1.0 2.0
   84    83    87    88   0.00000  1.0 1.0
   84    83    87    89   0.00000  1.0 1.0
   84    83    87    90   0.00000  1.0 1.0
   87    83    84    85   7.00000 -1.0 2.0
   87    83    84    86   7.00000 -1.0 2.0
   76    69    70    71   3.62500 -1.0 2.0
   76    69   -70    72   3.62500 -1.0 2.0
   76    73    74    75   0.00000  1.0 1.0
   76    73    74    77   0.29300  1.0 1.0
   76    73    74    77  -1.19700 -1.0 2.0
   76    73    74    77   0.60900  1.0 3.0
   76    73    74    82   0.04300 -1.0 2.0
   58    49    56    57   0.00000  1.0 1.0
   58    49    56    63   0.39000  1.0 1.0
   58    49    56    63  -0.05800 -1.0 2.0
   58    49    56    63  -0.55150  1.0 3.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   0.62750  1.0 1.0
   42    33    40    45  -0.30950 -1.0 2.0
   42    33    40    45   0.27300  1.0 3.0
   42    33    40    49   0.62750  1.0 1.0
   42    33    40    49  -0.30950 -1.0 2.0
   42    33    40    49   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    55    43    44  10.50000 -1.0 2.0
   49    57    56    63  15.00000 -1.0 2.0
   69    64    63    56  15.00000 -1.0 2.0
   70    76    69    63   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    76    73    72   4.00000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    87    83    84  15.00000 -1.0 2.0
   85    86    84    83  15.00000 -1.0 2.0
END
