* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    158    235     453
    1     0 S   NP   _N1_     1    29.17328    98.27355   -20.09665
    2     1 S   H    _HN1     2     1.02843    94.95689  -102.99607
    3     1 S   H    _H1_     3     1.02890    62.20599     4.75963
    4     1 S   H    _H2_     4     1.02906    53.63484   148.78483
    5     1 S   CT   _CA1     5     1.50361   152.71709    87.28710
    6     5 S   HC   _HA1     6     1.09692   104.72306   111.00320
    7     5 S   CO3  _C1_     7     1.54054   111.05514    -5.76548
    8     7 S   O2Z  _O11     8     1.26018   116.50910  -100.08755
    9     7 S   O2Z  _O12     9     1.26581   114.19434    78.64360
   10     5 S   CT   _CB1    10     1.53100   107.04736  -133.13672
   11    10 S   HC   HB11    11     1.09858   109.30454   -48.12734
   12    10 S   HC   HB12    12     1.09775   110.62993    68.36578
   13    10 S   CT   _CG1    13     1.53104   112.50593  -168.77212
   14    13 S   HC   HG11    14     1.09542   110.99988   -67.42358
   15    13 S   HC   HG12    15     1.09675   109.67492    51.78332
   16    13 S   C    _CD1    16     1.51883   111.78502   172.00674
   17    16 S   O    _OE1    17     1.22755   123.12155    12.32443
   18    16 S   N    _N2_    18     1.38633   111.92612  -167.60783
   19    18 S   H    _HN2    19     1.01557   119.04421     0.73195
   20    18 S   CT1  _CA2    20     1.46378   123.30954   175.81540
   21    20 S   HC   _HA2    21     1.09731   109.39214     4.03828
   22    20 S   C    _C2_    22     1.53594   108.54172  -111.42496
   23    22 S   O    _O2_    23     1.23052   122.29918  -148.62525
   24    20 S   CT   _CB2    32     1.53242   111.48666   126.20384
   25    24 S   HC   HB21    33     1.09441   109.80981    57.70821
   26    24 S   HC   HB22    34     1.09521   110.68209   175.89406
   27    22 S   N    _N3_    24     1.38325   113.71080    38.71264
   28    27 S   H    _HN3    25     1.01559   119.54784    -2.89786
   29    24 S   S    _SG2    35     1.82762   111.16798   -65.12121
   30    27 S   CT   _CA3    26     1.45276   123.36274   177.43723
   31    30 S   HC   HA31    27     1.09544   107.45900   -66.38362
   32    30 S   HC   HA32    28     1.09553   108.07878    50.11037
   33    29 S   CT   _C10    36     1.84786   100.10894   145.94658
   34    33 S   HC   _H5_    37     1.09714   106.92162    39.86165
   35    30 S   CO3  _C3_    29     1.52994   113.97440   172.12932
   36    35 S   O2Z  _O31    30     1.26395   116.05818    -1.21095
   37    35 S   O2Z  _O32    31     1.26423   114.41994   178.86220
   38    33 S   CT   _C11    38     1.54721   110.17249   -76.64218
   39    38 S   HC   _H13    39     1.09686   109.66500    57.94810
   40    38 S   HC   _H14    40     1.09707   108.53008   171.95934
   41    33 S   CT1  _C9_    63     1.54802   109.54001   157.58590
   42    41 S   HC   _H4_    64     1.09757   109.86610    56.31297
   43    38 S   CT   _C12    41     1.53412   115.86492   -65.62382
   44    43 S   HC   _H15    42     1.09533   110.52487    57.63563
   45    43 S   HC   _H16    43     1.09515   110.18367   -60.78338
   46    41 S   CO3  _C18    65     1.54974   111.38060   -63.56088
   47    46 S   O2Z  _O37    66     1.26463   115.52891   -54.11298
   48    46 S   O2Z  _O36    67     1.26413   114.94909   126.97039
   49    41 S   N    _N4_    68     1.46889   110.90440   175.29006
   50    49 S   H    _H12    69     1.01550   117.36841    50.16056
   51    43 S   CT   _C13    44     1.53275   110.88446   178.39611
   52    51 S   HC   _H17    45     1.09652   109.30462    59.19173
   53    51 S   HC   _H18    46     1.09594   108.68929   -57.82835
   54    49 S   C    _C8_    70     1.38060   123.22471  -137.75398
   55    54 S   O    _O33    71     1.22484   126.31168     4.35321
   56    51 S   CT   _C14    47     1.52616   110.79088  -179.21865
   57    56 S   HC   _H19    48     1.09456   110.90265    62.48319
   58    56 S   HC   _H20    49     1.09531   109.83660   -55.79709
   59    54 S   C3T  _C7_    72     1.48644   112.95667  -174.72534
   60    59 S   HC   _H3_    73     1.08746   113.16983    63.77541
   61    56 S   S    _S1_    50     1.82305   112.72699  -175.00146
   62    59 S   C3T  _C6_    74     1.50972   120.41146  -154.06755
   63    62 S   HC   _H10    75     1.08429   117.52633  -140.29898
   64    62 S   HC   _H11    76     1.08426   118.67804     2.23502
   65    61 S   CT   _C15    51     1.83019    99.97845   -63.58066
   66    65 S   HC   _H21    52     1.09453   108.28596    75.68011
   67    65 S   HC   _H22    53     1.09482   108.70469   -40.92412
   68    59 S   C3T  _C5_    77     1.52178   121.21810   -83.28140
   69    65 S   CT   _C16    54     1.53098   112.41378  -162.36377
   70    69 S   HC   _H6_    55     1.09724   108.29669   175.14748
   71    68 S   CT   _C4_    78     1.50607   117.28043   142.59566
   72    71 S   HC   _H7_    79     1.09495   110.25747   -86.97293
   73    71 S   HC   _H8_    80     1.09497   110.41042   153.31029
   74    71 S   HC   _H9_    81     1.09543   112.06767    33.15223
   75    68 S   CT   _C19    82     1.50627   120.20320    -3.32961
   76    75 S   HC   _H26    83     1.09434   110.23688    85.22565
   77    75 S   HC   _H27    84     1.09488   112.57633   -35.60866
   78    75 S   HC   _H28    85     1.09519   110.22754  -155.52455
   79    69 S   CO3  _C17    56     1.54120   114.90991   -67.04855
   80    79 S   O2Z  _O35    57     1.26497   114.70077   143.53910
   81    79 S   O2Z  _O34    58     1.26224   115.77158   -37.88531
   82    69 S   NP   _N5_    59     1.50105   108.76407    62.28290
   83    82 S   H    _H23    60     1.03344   111.95784    61.99572
   84    82 S   H    _H24    61     1.02830   110.89991   -58.61558
   85    82 S   H    _H25    62     1.02847   110.42278  -177.49657
  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  10   5   4   3
  16   8   2   1   1  13   6   5  10   6   9   5   4   5   2   1
   7   3   7   5   4   9   4   7   3   2  13   6   7  11   4   3
  11   5   4   8   8   7   7   3   2   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    51    41    42    46    47    48    49    50    54  
   38    39    40    43    41    42    46    49  
   36    37  
   37  
    0  
   39    40    43    44    45    51    52    53    56    41    42    46    49  
   40    43    44    45    51    41  
   43    44    45    51    41  
   42    46    47    48    49    50    54    55    59    43  
   46    47    48    49    50    54  
   44    45    51    52    53    56    57    58    61  
   45    51    52    53    56  
   51    52    53    56  
   47    48    49    50    54  
   48    49  
   49  
   50    54    55    59    60    62    68  
   54    55    59  
   52    53    56    57    58    61    65  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    62    63    64    68    71    75  
   59    60    62    68  
   57    58    61    65    66    67    69  
   58    61    65  
   61    65  
   60    62    63    64    68    71    72    73    74    75    76    77    78  
   62    63    64    68    71    75  
   65    66    67    69    70    79    82  
   63    64    68    71    72    73    74    75    76    77    78  
   64    68    71    75  
   68    71    75  
   66    67    69    70    79    80    81    82    83    84    85  
   67    69    70    79    82  
   69    70    79    82  
   71    72    73    74    75    76    77    78  
   70    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   82   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.210000   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   222.000  1.810
   61    65   222.000  1.810
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    79   317.000  1.522
   69    82   367.000  1.471
   79    80   656.000  1.250
   79    81   656.000  1.250
   82    83   434.000  1.010
   82    84   434.000  1.010
   82    85   434.000  1.010
   41    42   340.000  1.090
   41    46   317.000  1.522
   41    49   337.000  1.449
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   434.000  1.010
   49    54   490.000  1.335
   54    55   570.000  1.229
   54    59   295.000  1.481
   59    60   340.000  1.088
   59    62   260.000  1.509
   59    68   260.000  1.509
   62    63   340.000  1.088
   62    64   340.000  1.088
   62    68   260.000  1.509
   68    71   275.000  1.510
   68    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    63.00000  111.10000
   33    41    49    80.00000  109.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    75.00000  111.63000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    65    62.00000   98.90000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    69    75.00000  111.63000
   65    69    70    37.50000  110.70000
   65    69    79    70.00000  109.69300
   65    69    82    80.00000  111.20000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    79    80    70.00000  117.00000
   69    79    81    70.00000  117.00000
   69    82    83    35.00000  109.50000
   69    82    84    35.00000  109.50000
   69    82    85    35.00000  109.50000
   79    69    70    35.00000  109.50000
   81    79    80    80.00000  126.00000
   82    69    70    35.00000  109.50000
   82    69    79    80.00000  109.26000
   84    82    83    35.00000  109.50000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    70.00000  117.00000
   41    46    48    70.00000  117.00000
   41    49    50    38.00000  118.40000
   41    49    54    50.00000  121.90000
   46    41    42    35.00000  109.50000
   48    46    47    80.00000  126.00000
   49    41    42    35.00000  109.50000
   49    41    46    63.00000  110.10000
   49    54    55    80.00000  122.90000
   49    54    59    75.00000  114.51300
   54    49    50    35.00000  119.80000
   54    59    60    40.00000  115.44000
   54    59    62    65.00000  116.19300
   54    59    68    65.00000  116.19300
   59    54    55    75.00000  122.66600
   59    62    63    37.50000  117.20000
   59    62    64    37.50000  117.20000
   59    62    68    10.00000   60.00500
   59    68    62    10.00000   60.00500
   59    68    71    60.00000  120.94000
   59    68    75    60.00000  120.94000
   62    59    60    37.50000  117.20000
   62    68    71    60.00000  120.94000
   62    68    75    60.00000  120.94000
   64    62    63    35.00000  114.30000
   68    59    60    37.50000  117.20000
   68    59    62    10.00000   60.00500
   68    62    63    37.50000  117.20000
   68    62    64    37.50000  117.20000
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   68    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46  -2.17200  1.0 1.0
   29    33    41    46  -0.85700 -1.0 2.0
   29    33    41    49   0.71400  1.0 1.0
   29    33    41    49   0.04300 -1.0 2.0
   29    33    41    49   0.01450  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    51   0.56750  1.0 1.0
   33    38    43    51  -0.07550 -1.0 2.0
   33    38    43    51   0.20000  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    48   0.00000  1.0 1.0
   33    41    49    50   0.00000  1.0 1.0
   33    41    49    54   0.25950  1.0 1.0
   33    41    49    54   0.43850 -1.0 2.0
   33    41    49    54   2.61650  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    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46  -0.03800  1.0 3.0
   34    33    41    49   0.23200  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.84850  1.0 1.0
   38    33    41    46  -0.22800 -1.0 2.0
   38    33    41    46   0.29250  1.0 3.0
   38    33    41    49   0.42250  1.0 1.0
   38    33    41    49  -0.48100 -1.0 2.0
   38    33    41    49   0.35650  1.0 3.0
   38    43    51    52   0.15000  1.0 3.0
   38    43    51    53   0.15000  1.0 3.0
   38    43    51    56   0.56750  1.0 1.0
   38    43    51    56  -0.07550 -1.0 2.0
   38    43    51    56   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    51   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    51   0.15000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.15000  1.0 3.0
   43    51    56    61   0.44750  1.0 1.0
   43    51    56    61  -0.17800 -1.0 2.0
   43    51    56    61   0.20200  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    56   0.15000  1.0 3.0
   51    56    61    65   0.01700  1.0 1.0
   51    56    61    65  -0.23550 -1.0 2.0
   51    56    61    65   0.21350  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    65    66   0.32350  1.0 3.0
   56    61    65    67   0.32350  1.0 3.0
   56    61    65    69   0.01700  1.0 1.0
   56    61    65    69  -0.23550 -1.0 2.0
   56    61    65    69   0.21350  1.0 3.0
   57    56    61    65   0.32350  1.0 3.0
   58    56    61    65   0.32350  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    79   0.56750  1.0 1.0
   61    65    69    79  -0.07550 -1.0 2.0
   61    65    69    79   0.20000  1.0 3.0
   61    65    69    82   0.56750  1.0 1.0
   61    65    69    82  -0.07550 -1.0 2.0
   61    65    69    82   0.20000  1.0 3.0
   65    69    79    80   0.41150 -1.0 2.0
   65    69    79    81   0.41150 -1.0 2.0
   65    69    82    83   0.17350  1.0 3.0
   65    69    82    84   0.17350  1.0 3.0
   65    69    82    85   0.17350  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    79  -0.11250  1.0 3.0
   66    65    69    82   0.19200  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    79  -0.11250  1.0 3.0
   67    65    69    82   0.19200  1.0 3.0
   70    69    79    80   0.00000  1.0 1.0
   70    69    79    81   0.00000  1.0 1.0
   70    69    82    83   0.13050  1.0 3.0
   70    69    82    84   0.13050  1.0 3.0
   70    69    82    85   0.13050  1.0 3.0
   79    69    82    83   0.17350  1.0 3.0
   79    69    82    84   0.17350  1.0 3.0
   79    69    82    85   0.17350  1.0 3.0
   82    69    79    80   0.30150 -1.0 2.0
   82    69    79    81   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    49    54    55   3.04450 -1.0 2.0
   41    49    54    59   1.15000  1.0 1.0
   41    49    54    59   3.04450 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    54   0.00000  1.0 1.0
   46    41    49    50   0.00000  1.0 1.0
   46    41    49    54  -0.29800  1.0 1.0
   46    41    49    54   0.13950 -1.0 2.0
   46    41    49    54  -2.45650  1.0 3.0
   49    41    46    47   0.00000  1.0 1.0
   49    41    46    48   0.00000  1.0 1.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    62   1.39750  1.0 1.0
   49    54    59    62  -0.07950 -1.0 2.0
   49    54    59    62  -0.18750  1.0 3.0
   49    54    59    68   1.39750  1.0 1.0
   49    54    59    68  -0.07950 -1.0 2.0
   49    54    59    68  -0.18750  1.0 3.0
   50    49    54    55   2.45000 -1.0 2.0
   50    49    54    59   2.45000 -1.0 2.0
   54    59    62    63  -0.11250  1.0 3.0
   54    59    62    64  -0.11250  1.0 3.0
   54    59   -62    68  -0.95700  1.0 1.0
   54    59   -62    68  -0.18200 -1.0 2.0
   54    59   -62    68   0.29450  1.0 3.0
   54    59   -68    62  -0.95700  1.0 1.0
   54    59   -68    62  -0.18200 -1.0 2.0
   54    59   -68    62   0.29450  1.0 3.0
   54    59    68    71  -0.95700  1.0 1.0
   54    59    68    71  -0.18200 -1.0 2.0
   54    59    68    71   0.29450  1.0 3.0
   54    59    68    75  -0.95700  1.0 1.0
   54    59    68    75  -0.18200 -1.0 2.0
   54    59    68    75   0.29450  1.0 3.0
   55    54    59    60   0.50000  1.0 3.0
   55    54    59    62   0.30150 -1.0 2.0
   55    54    59    68   0.30150 -1.0 2.0
   59    62   -68    71   0.07850  1.0 1.0
   59    62   -68    71  -0.03950 -1.0 2.0
   59    62   -68    71   0.67350  1.0 3.0
   59    62   -68    75   0.07850  1.0 1.0
   59    62   -68    75  -0.03950 -1.0 2.0
   59    62   -68    75   0.67350  1.0 3.0
   59    68    71    72   0.15000  1.0 3.0
   59    68    71    73   0.15000  1.0 3.0
   59    68    71    74   0.15000  1.0 3.0
   59    68    75    76   0.15000  1.0 3.0
   59    68    75    77   0.15000  1.0 3.0
   59    68    75    78   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59   -62    68   0.15000  1.0 3.0
   60    59   -68    62   0.15000  1.0 3.0
   60    59    68    71   0.15000  1.0 3.0
   60    59    68    75   0.15000  1.0 3.0
   62    59   -68    71   0.07850  1.0 1.0
   62    59   -68    71  -0.03950 -1.0 2.0
   62    59   -68    71   0.67350  1.0 3.0
   62    59   -68    75   0.07850  1.0 1.0
   62    59   -68    75  -0.03950 -1.0 2.0
   62    59   -68    75   0.67350  1.0 3.0
   62    68    71    72   0.15000  1.0 3.0
   62    68    71    73   0.15000  1.0 3.0
   62    68    71    74   0.15000  1.0 3.0
   62    68    75    76   0.15000  1.0 3.0
   62    68    75    77   0.15000  1.0 3.0
   62    68    75    78   0.15000  1.0 3.0
   63    62   -68    59   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   63    62    68    75   0.15000  1.0 3.0
   64    62   -68    59   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   64    62    68    75   0.15000  1.0 3.0
   68    59   -62    63   0.15000  1.0 3.0
   68    59   -62    64   0.15000  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   80    69    79    81  10.50000 -1.0 2.0
   47    41    46    48  10.50000 -1.0 2.0
   50    54    49    41   1.00000 -1.0 2.0
   49    59    54    55  10.50000 -1.0 2.0
END
