* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    156    234     461
    1     0 S   NP   _N1_     1    29.31694    98.03684   -19.08567
    2     1 S   H    _HN1     2     1.02954    78.04915    42.97826
    3     1 S   H    _H1_     3     1.02834    53.64936   164.65971
    4     1 S   H    _H2_     4     1.02780    75.74421   -69.78845
    5     1 S   CT   _CA1     5     1.50232   164.29568   167.18291
    6     5 S   HC   _HA1     6     1.09578   105.05447    57.19993
    7     5 S   CO3  _C1_     7     1.53799   112.67041   -62.47415
    8     7 S   O2Z  _O11     8     1.26418   115.11307   -32.09734
    9     7 S   O2Z  _O12     9     1.26206   115.05087   147.37122
   10     5 S   CT   _CB1    10     1.53196   107.31636   175.02811
   11    10 S   HC   HB11    11     1.09817   109.07886   -48.46498
   12    10 S   HC   HB12    12     1.09813   110.39746    67.98444
   13    10 S   CT   _CG1    13     1.53037   112.98957  -169.60439
   14    13 S   HC   HG11    14     1.09505   110.59477   -68.04588
   15    13 S   HC   HG12    15     1.09683   109.89012    51.01498
   16    13 S   C    _CD1    16     1.51933   112.58382   170.85651
   17    16 S   O    _OE1    17     1.22705   123.36328    -4.47532
   18    16 S   N    _N2_    18     1.38601   111.53757   176.73355
   19    18 S   H    _HN2    19     1.01626   118.80425    -1.59839
   20    18 S   CT1  _CA2    20     1.46286   123.66512   174.43739
   21    20 S   HC   _HA2    21     1.09746   109.36660   -10.21271
   22    20 S   C    _C2_    22     1.53523   107.89580  -125.20092
   23    22 S   O    _O2_    23     1.23015   122.51077  -147.45042
   24    20 S   CT   _CB2    32     1.53256   111.59198   112.45726
   25    24 S   HC   HB21    33     1.09494   109.89690    48.81229
   26    24 S   HC   HB22    34     1.09490   110.77775   167.95906
   27    22 S   N    _N3_    24     1.38398   113.39101    40.13330
   28    27 S   H    _HN3    25     1.01637   119.50005    -3.72499
   29    24 S   S    _SG2    35     1.82698   111.49262   -73.12498
   30    27 S   CT   _CA3    26     1.45288   123.17802   176.95111
   31    30 S   HC   HA31    27     1.09552   107.53942   -63.47252
   32    30 S   HC   HA32    28     1.09556   107.94463    52.95468
   33    29 S   CT   _C8_    36     1.83967    99.42387   168.11769
   34    33 S   HC   _H5_    37     1.09775   107.79940    36.17295
   35    30 S   CO3  _C3_    29     1.52944   114.07848   174.89335
   36    35 S   O2Z  _O31    30     1.26375   116.03232    -1.63219
   37    35 S   O2Z  _O32    31     1.26426   114.42355   178.42753
   38    33 S   CT   _C7_    38     1.54430   110.49977   -82.03579
   39    38 S   HC   _H4_    39     1.09750   111.03897    60.15523
   40    38 S   CT   _C6_    40     1.54156   108.77031  -179.63631
   41    40 S   HC   _H3_    41     1.09807   108.42348   -64.17593
   42    38 S   OS   _O37    62     1.43671   108.81536   -62.50623
   43    40 S   CO   _C10    42     1.53805   110.24990    54.51052
   44    43 S   HC   _H7_    43     1.09717   111.57066    65.59364
   45    40 S   N    _N4_    54     1.46200   110.32829   178.11581
   46    45 S   H    _H16    55     1.01705   116.99936   -40.81049
   47    42 S   CO   _C12    63     1.43108   114.13572   122.68754
   48    47 S   HC   _H8_    64     1.09748   108.65825   -54.56939
   49    43 S   OS   _O34    44     1.42691   109.91832   -56.64409
   50    43 S   OH   _O35    52     1.42589   108.95981  -175.49720
   51    50 S   HO   _H17    53     0.97177   106.58047  -158.58485
   52    45 S   C    _C5_    56     1.38046   123.71126   139.36407
   53    52 S   O    _O33    57     1.22897   125.36714    -0.29275
   54    47 S   CT   _C13    65     1.53820   107.57444  -173.15086
   55    54 S   HC   _H9_    66     1.09503   109.15332    59.68837
   56    33 S   CT   _C9_    45     1.54551   112.06973   154.82700
   57    56 S   HC   _H6_    46     1.09801   111.80327    62.21427
   58    52 S   CT   _C4_    58     1.50627   113.31684   179.72876
   59    58 S   HC   _H13    59     1.09345   108.95218   121.25901
   60    58 S   HC   _H14    60     1.09344   108.92281  -119.33702
   61    58 S   HC   _H15    61     1.09331   112.26403     0.95900
   62    54 S   CT   _C14    67     1.53276   108.08507  -179.27180
   63    62 S   HC   _H10    68     1.09544   107.39247   -65.21900
   64    54 S   OS   _O43    81     1.43196   107.07748   -58.59796
   65    56 S   CT   _C11    47     1.53344   113.33811   -61.44931
   66    65 S   HC   _H18    48     1.09244   112.41821    56.22490
   67    65 S   HC   _H19    49     1.09517   110.89569   -66.56381
   68    62 S   CT   _C15    69     1.53503   111.99156    54.00102
   69    68 S   HC   _H11    70     1.09530   110.28095  -176.39098
   70    62 S   OH   _O42    79     1.42052   111.32421   178.40959
   71    70 S   HO   _H22    80     0.97551   107.15361   167.24774
   72    64 S   SY   _S1_    82     1.63797   122.77463   152.80254
   73    72 S   OY   _O46    83     1.46160   106.04146   -18.68713
   74    72 S   OY   _O44    84     1.46257   103.19931  -138.60394
   75    72 S   OY   _O45    85     1.46202   103.76598   102.24931
   76    65 S   OH   _O36    50     1.42654   109.07137   174.97816
   77    76 S   HO   _H20    51     0.97228   107.01080   178.41563
   78    68 S   CT   _C16    71     1.53140   108.93000   -53.73064
   79    78 S   HC   _H12    72     1.09922   109.21974   -62.45937
   80    68 S   OH   _O41    77     1.42971   109.84713    66.11422
   81    80 S   HO   _H21    78     0.97413   107.42550    40.27356
   82    47 S   OS   _O38    73     1.43227   111.82976    65.86396
   83    78 S   CO3  _C17    74     1.54072   116.09372   179.00005
   84    83 S   O2Z  _O40    75     1.26325   116.10218    20.28152
   85    83 S   O2Z  _O39    76     1.26606   115.16444  -162.04790
  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  18   7  14   8  11  10   5   9   3  13   6
   8   2   1   5   4  15   7   6   4   3   2   1   1  13   7   7
   4   3   2  11   7   3   1   3   2   1   1   1   1   7   5   3
   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    56    57    65    66    67    76    45    42    47  
   38    39    40    49    56    57    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    65    50    45    46    52    42    47    48    54    82  
   40    41    43    56    45    42    47  
   41    43    44    49    56    50    51    45    46    52    53    58    42    47  
   43    44    49    50    45    46    52    42  
   47    48    54    55    62    78    82    64    43    45    56  
   44    49    56    57    65    50    51    45    46    52  
   49    56    50    51    45  
   46    52    53    58    59    60    61    49    50  
   52    53    58  
   48    54    55    62    63    68    78    79    82    83    70    64    72  
   54    55    62    78    82    64  
   56    57    65    66    67    76    50    51  
   51    56  
    0  
   53    58    59    60    61  
   58    59    60    61  
   55    62    63    68    69    78    82    80    70    71    64    72    73    74    75  
   62    63    68    82    70    64    72  
   57    65    66    67    76    77  
   65    66    67    76  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    78    79    82    83    80    81    70    71    64    72  
   68    69    78    80    70    71    64  
   72    73    74    75    68    70    82  
   66    67    76    77  
   67    76    77  
   76    77  
   69    78    79    82    83    84    85    80    81    70    71  
   78    79    82    83    80    81    70  
   71    78    80  
    0  
   73    74    75  
   74    75  
   75  
    0  
   77  
    0  
   79    82    83    84    85    80    81  
   82    83    84    85    80  
   81    82    83  
    0  
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   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   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   74   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    56   268.000  1.529
   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    43   250.000  1.527
   40    45   337.000  1.449
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   320.000  1.410
   76    77   553.000  0.945
   50    51   553.000  0.945
   45    46   434.000  1.010
   45    52   490.000  1.335
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    54   250.000  1.527
   47    82   320.000  1.380
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    64   320.000  1.410
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   320.000  1.410
   68    69   340.000  1.090
   68    78   268.000  1.529
   68    80   320.000  1.410
   78    79   340.000  1.090
   78    82   320.000  1.410
   78    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   80    81   553.000  0.945
   70    71   553.000  0.945
   64    72   335.000  1.682
   72    73   735.000  1.471
   72    74   735.000  1.471
   72    75   735.000  1.471
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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    49    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    70.00000  110.72300
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    38.00000  118.40000
   40    45    52    50.00000  121.90000
   43    40    41    45.00000  108.72000
   43    49    56    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    65    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    76    50.00000  109.50000
   65    56    57    37.50000  110.70000
   65    76    77    55.00000  108.50000
   67    65    66    33.00000  107.80000
   76    65    66    35.00000  109.50000
   76    65    67    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    70.00000  110.72300
   45    52    53    80.00000  122.90000
   45    52    58    70.00000  116.60000
   52    45    46    35.00000  119.80000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   58    52    53    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    54    90.00000  108.56700
   42    47    82    92.60000  111.55000
   47    54    55    45.00000  108.72000
   47    54    62    75.00000  109.43000
   47    54    64    90.00000  109.38000
   47    82    78    60.00000  109.50000
   54    47    48    45.00000  112.01100
   54    62    63    37.50000  110.70000
   54    62    68    58.35000  112.70000
   54    62    70    50.00000  109.50000
   54    64    72   100.00000  113.05000
   62    54    55    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    78    58.35000  112.70000
   62    68    80    50.00000  109.50000
   62    70    71    55.00000  108.50000
   68    62    63    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    82    50.00000  109.50000
   68    78    83    70.00000  109.69300
   68    80    81    55.00000  108.50000
   78    68    69    37.50000  110.70000
   78    83    84    70.00000  117.00000
   78    83    85    70.00000  117.00000
   82    47    48    35.00000  109.50000
   82    47    54    90.00000  108.56700
   82    78    79    35.00000  109.50000
   83    78    79    35.00000  109.50000
   83    78    82    85.00000  109.63000
   85    83    84    80.00000  126.00000
   80    68    69    35.00000  109.50000
   80    68    78    50.00000  109.50000
   70    62    63    35.00000  109.50000
   70    62    68    50.00000  109.50000
   64    54    55    35.00000  109.50000
   64    54    62    50.00000  109.50000
   64    72    73   135.00000  106.70400
   64    72    74   135.00000  106.70400
   64    72    75   135.00000  106.70400
   74    72    73   115.00000  120.17200
   75    72    73   115.00000  120.17200
   75    72    74   115.00000  120.17200
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.44750  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    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    65   0.44750  1.0 1.0
   29    33    56    65  -0.17800 -1.0 2.0
   29    33    56    65   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45  -0.27100  1.0 1.0
   33    38    40    45  -0.01700 -1.0 2.0
   33    38    40    45  -0.48600  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    56    65    66   0.15000  1.0 3.0
   33    56    65    67   0.15000  1.0 3.0
   33    56    65    76   0.86500  1.0 1.0
   33    56    65    76  -0.17500 -1.0 2.0
   33    56    65    76   0.20800  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    56    49   0.23400  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    65   0.15000  1.0 3.0
   38    33    56    49   0.62750  1.0 1.0
   38    33    56    49  -0.30950 -1.0 2.0
   38    33    56    49   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    65   0.56750  1.0 1.0
   38    33    56    65  -0.07550 -1.0 2.0
   38    33    56    65   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    52  -0.43950  1.0 1.0
   38    40    45    52  -0.08100 -1.0 2.0
   38    40    45    52   0.03350  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    54   0.06250  1.0 1.0
   38    42    47    54  -0.01100 -1.0 2.0
   38    42    47    54   0.28050  1.0 3.0
   38    42    47    82  -0.53350  1.0 1.0
   38    42    47    82  -0.78350 -1.0 2.0
   38    42    47    82   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   40    45    52    53   3.04450 -1.0 2.0
   40    45    52    58   1.49850  1.0 1.0
   40    45    52    58   1.53950 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    52  -0.43950  1.0 1.0
   43    40    45    52  -0.08100 -1.0 2.0
   43    40    45    52   0.03350  1.0 3.0
   43    49   -56    33   0.06250  1.0 1.0
   43    49   -56    33  -0.01100 -1.0 2.0
   43    49   -56    33   0.28050  1.0 3.0
   43    49    56    57   0.37050  1.0 3.0
   43    49    56    65   0.06250  1.0 1.0
   43    49    56    65  -0.01100 -1.0 2.0
   43    49    56    65   0.28050  1.0 3.0
   44    43    49    56   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    56    65    66   0.23400  1.0 3.0
   49    56    65    67   0.23400  1.0 3.0
   49    56    65    76   3.69350  1.0 1.0
   49    56    65    76  -1.82950 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    65    76    77  -0.11600  1.0 1.0
   56    65    76    77  -0.09450 -1.0 2.0
   56    65    76    77   0.21250  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    76   0.23400  1.0 3.0
   66    65    76    77   0.19450  1.0 3.0
   67    65    76    77   0.19450  1.0 3.0
   50    43    49    56  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    49   1.12100  1.0 1.0
   45    40    43    49  -0.16500 -1.0 2.0
   45    40    43    50   2.76900  1.0 1.0
   45    40    43    50  -0.24350 -1.0 2.0
   45    40    43    50  -0.78250  1.0 3.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    60   0.00000  1.0 1.0
   45    52    58    61   0.00000  1.0 1.0
   46    45    52    53   2.45000 -1.0 2.0
   46    45    52    58   2.45000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.12100  1.0 1.0
   42    38    40    45  -0.16500 -1.0 2.0
   42    47    54    55   0.23400  1.0 3.0
   42    47    54    62   0.62750  1.0 1.0
   42    47    54    62  -0.30950 -1.0 2.0
   42    47    54    62   0.27300  1.0 3.0
   42    47    54    64   1.11900  1.0 1.0
   42    47    54    64  -1.16350 -1.0 2.0
   42    47    54    64  -0.34150  1.0 3.0
   42    47    82    78  -0.81800  1.0 1.0
   47    54    62    63   0.15000  1.0 3.0
   47    54    62    68   3.97050  1.0 1.0
   47    54    62    70   0.86500  1.0 1.0
   47    54    62    70  -0.17500 -1.0 2.0
   47    54    62    70   0.20800  1.0 3.0
   47    54    64    72   0.37500  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    62   0.15000  1.0 3.0
   48    47    54    64   0.23400  1.0 3.0
   48    47    82    78   0.37050  1.0 3.0
   54    47    82    78   0.06250  1.0 1.0
   54    47    82    78  -0.01100 -1.0 2.0
   54    47    82    78   0.28050  1.0 3.0
   54    62    68    69   0.15000  1.0 3.0
   54    62   -68    78   0.56750  1.0 1.0
   54    62   -68    78  -0.07550 -1.0 2.0
   54    62   -68    78   0.20000  1.0 3.0
   54    62    68    80   0.86500  1.0 1.0
   54    62    68    80  -0.17500 -1.0 2.0
   54    62    68    80   0.20800  1.0 3.0
   54    62    70    71  -0.11600  1.0 1.0
   54    62    70    71  -0.09450 -1.0 2.0
   54    62    70    71   0.21250  1.0 3.0
   54    64    72    73   0.29800  1.0 3.0
   54    64    72    74   0.29800  1.0 3.0
   54    64    72    75   0.29800  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   55    54    62    70   0.23400  1.0 3.0
   55    54    64    72   0.00000  1.0 1.0
   62    54    64    72   0.37500  1.0 3.0
   62    68    78    79   0.15000  1.0 3.0
   62    68    78    82   0.62750  1.0 1.0
   62    68    78    82  -0.30950 -1.0 2.0
   62    68    78    82   0.27300  1.0 3.0
   62    68    78    83  -1.63150  1.0 1.0
   62    68    78    83  -0.43550 -1.0 2.0
   62    68    78    83   0.24500  1.0 3.0
   62    68    80    81  -0.11600  1.0 1.0
   62    68    80    81  -0.09450 -1.0 2.0
   62    68    80    81   0.21250  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    78   0.15000  1.0 3.0
   63    62    68    80   0.23400  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71  -0.11600  1.0 1.0
   68    62    70    71  -0.09450 -1.0 2.0
   68    62    70    71   0.21250  1.0 3.0
   68    78   -82    47   0.06250  1.0 1.0
   68    78   -82    47  -0.01100 -1.0 2.0
   68    78   -82    47   0.28050  1.0 3.0
   68    78    83    84   0.41150 -1.0 2.0
   68    78    83    85   0.41150 -1.0 2.0
   69    68    78    79   0.15000  1.0 3.0
   69    68    78    82   0.23400  1.0 3.0
   69    68    78    83  -0.11250  1.0 3.0
   69    68    80    81   0.19450  1.0 3.0
   78    68    80    81  -0.11600  1.0 1.0
   78    68    80    81  -0.09450 -1.0 2.0
   78    68    80    81   0.21250  1.0 3.0
   79    78    82    47   0.37050  1.0 3.0
   79    78    83    84   0.00000  1.0 1.0
   79    78    83    85   0.00000  1.0 1.0
   82    47    54    55   0.23400  1.0 3.0
   82    47   -54    62   0.62750  1.0 1.0
   82    47   -54    62  -0.30950 -1.0 2.0
   82    47   -54    62   0.27300  1.0 3.0
   82    47    54    64   1.11900  1.0 1.0
   82    47    54    64  -1.16350 -1.0 2.0
   82    47    54    64  -0.34150  1.0 3.0
   82    78    83    84   0.30150 -1.0 2.0
   82    78    83    85   0.30150 -1.0 2.0
   83    78    82    47  -1.11000  1.0 1.0
   83    78    82    47   0.50250 -1.0 2.0
   83    78    82    47   0.47450  1.0 3.0
   80    68    78    79   0.23400  1.0 3.0
   80    68    78    82   3.69350  1.0 1.0
   80    68    78    82  -1.82950 -1.0 2.0
   80    68    78    83  -5.33000  1.0 1.0
   80    68    78    83  -0.54250 -1.0 2.0
   80    68    78    83  -0.07300  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    78   0.86500  1.0 1.0
   70    62    68    78  -0.17500 -1.0 2.0
   70    62    68    78   0.20800  1.0 3.0
   70    62    68    80   3.75450  1.0 1.0
   64    54    62    63   0.23400  1.0 3.0
   64    54    62    68   0.62750  1.0 1.0
   64    54    62    68  -0.30950 -1.0 2.0
   64    54    62    68   0.27300  1.0 3.0
   64    54    62    70   3.69350  1.0 1.0
   64    54    62    70  -1.82950 -1.0 2.0
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
   46    52    45    40   1.00000 -1.0 2.0
   45    58    52    53  10.50000 -1.0 2.0
   84    78    83    85  10.50000 -1.0 2.0
END
