* LIGAND DATABASE FILE (OPLS2005)
*
001      93    92    164    238     478
    1     0 S   NP   _N1_     1    28.65223    97.39571   -21.72638
    2     1 S   H    _HN1     2     1.03146   109.11082  -144.98897
    3     1 S   H    _H1_     3     1.03042    73.04371   -42.01597
    4     1 S   H    _H2_     4     1.02757    35.82105   121.03134
    5     1 S   CT   _CA1     5     1.49910   134.70889    61.25054
    6     5 S   HC   _HA1     6     1.09518   105.00183    97.32195
    7     5 S   CO3  _C1_     7     1.53686   113.33056   -22.94110
    8     7 S   O2Z  _O11     8     1.26350   115.19376   -35.06208
    9     7 S   O2Z  _O12     9     1.26270   114.97074   144.36774
   10     5 S   CT   _CB1    10     1.53045   107.63269  -143.83817
   11    10 S   HC   HB11    11     1.09561   109.95957   -39.27925
   12    10 S   HC   HB12    12     1.09829   110.55330    77.31736
   13    10 S   CT   _CG1    13     1.52994   112.40850  -160.12866
   14    13 S   HC   HG11    14     1.09544   110.78049   -68.04804
   15    13 S   HC   HG12    15     1.09574   109.81220    51.19846
   16    13 S   C    _CD1    16     1.51683   111.62863   172.00451
   17    16 S   O    _OE1    17     1.22794   122.87374    19.48491
   18    16 S   N    _N2_    18     1.38582   112.24457  -161.67921
   19    18 S   H    _HN2    19     1.01550   119.45739     4.39507
   20    18 S   CT1  _CA2    20     1.45959   122.54283  -178.59361
   21    20 S   HC   _HA2    21     1.09574   109.50410    25.21032
   22    20 S   C    _C2_    22     1.52887   105.34758   -91.74275
   23    22 S   O    _O2_    23     1.23002   122.66152   -87.60997
   24    20 S   CT   _CB2    32     1.53381   112.00492   148.32655
   25    24 S   HC   HB21    33     1.09642   110.25625    61.35206
   26    24 S   HC   HB22    34     1.09590   110.34268   178.61125
   27    22 S   N    _N3_    24     1.38524   112.94254    87.98096
   28    27 S   H    _HN3    25     1.01730   119.84546     2.71729
   29    24 S   S    _SG2    35     1.82792   114.11261   -57.71499
   30    27 S   CT   _CA3    26     1.45386   122.78632  -178.53353
   31    30 S   HC   HA31    27     1.09517   107.30096   -77.66849
   32    30 S   HC   HA32    28     1.09577   108.43891    38.82654
   33    29 S   CMA  _C25    36     1.80566   100.56139   -61.80412
   34    33 S   OM   _O40    37     1.26486   120.47029   -66.94829
   35    30 S   CO3  _C3_    29     1.52848   113.99944   161.68593
   36    35 S   O2Z  _O31    30     1.26306   116.03447    22.59468
   37    35 S   O2Z  _O32    31     1.26416   114.57333  -156.87383
   38    33 S   CM   _C24    38     1.35626   110.36225   114.39445
   39    38 S   HC   _H27    39     1.08816   121.47139     0.70276
   40    38 S   CO4  _C23    40     1.49791   124.89789   179.45824
   41    40 S   O    _O41    41     1.22829   123.02280    23.77138
   42    40 S   CT   _C22    42     1.51147   115.96995  -157.93344
   43    42 S   HC   _H25    43     1.09578   107.50889   140.24513
   44    42 S   HC   _H26    44     1.09530   109.91089    23.68708
   45    42 S   CO4  _C21    45     1.51199   114.27297   -98.68043
   46    45 S   O    _O39    46     1.22992   122.25594     6.23376
   47    45 S   CT   _C20    47     1.51180   115.80219  -175.01634
   48    47 S   HC   _H23    48     1.09554   108.66067    54.53435
   49    47 S   HC   _H24    49     1.09467   109.24430   -62.94533
   50    47 S   CO4  _C19    50     1.51169   114.02074   174.92406
   51    50 S   O    _O38    51     1.23038   120.35420   -95.74675
   52    50 S   CT   _C18    52     1.52390   116.37987    84.59663
   53    52 S   HC   _H21    53     1.09566   108.12772   -42.79367
   54    52 S   HC   _H22    54     1.09647   106.33432    73.36055
   55    52 S   CT   _C17    55     1.53038   115.28458  -165.17026
   56    55 S   HC   _H3_    56     1.09656   107.71116  -178.99731
   57    55 S   CT   _C16    57     1.53125   113.00077    59.74310
   58    57 S   HC   _H19    58     1.09570   109.61193    47.01364
   59    57 S   HC   _H20    59     1.09468   111.33532   -73.98843
   60    55 S   OH   _O42    92     1.42639   108.94067   -63.62653
   61    60 S   HO   _H28    93     0.97344   107.26537  -174.71999
   62    57 S   CO4  _C15    60     1.52075   112.40306   166.58172
   63    62 S   O    _O37    61     1.23111   122.59339    13.27433
   64    62 S   CT   _C14    62     1.51132   116.66791  -166.40666
   65    64 S   HC   _H17    63     1.09454   109.26184   -31.07482
   66    64 S   HC   _H18    64     1.09543   107.73724  -148.03953
   67    64 S   CO4  _C13    65     1.51128   113.72003    91.16106
   68    67 S   O    _O36    66     1.23026   121.78711    -8.71172
   69    67 S   CT   _C12    67     1.51212   115.99047   172.08780
   70    69 S   HC   _H15    68     1.09469   109.33125    61.21512
   71    69 S   HC   _H16    69     1.09564   108.37328   -56.15043
   72    69 S   CO4  _C11    70     1.51074   114.38557  -176.56521
   73    72 S   O    _O35    71     1.23160   120.98692   102.89851
   74    72 S   CT   _C10    72     1.51151   117.43101   -76.84688
   75    74 S   HC   _H13    73     1.09480   109.27577     3.28092
   76    74 S   HC   _H14    74     1.09460   107.34829  -114.11732
   77    74 S   CO4  _C9_    75     1.51445   114.84435   124.22486
   78    77 S   O    _O34    76     1.22970   121.77567    -8.50436
   79    77 S   CT   _C8_    77     1.51525   115.32556   172.49528
   80    79 S   HC   _H11    78     1.09486   107.06786    48.36808
   81    79 S   HC   _H12    79     1.09463   107.77249   -69.44561
   82    79 S   CO4  _C7_    80     1.51561   117.54932   168.23278
   83    82 S   O    _O33    81     1.22908   123.00762     3.38125
   84    82 S   CT   _C6_    82     1.52104   115.11291  -176.50896
   85    84 S   HC   _H9_    83     1.09545   108.03318   -62.75945
   86    84 S   HC   _H10    84     1.09418   107.60450    54.27430
   87    84 S   CT   _C5_    85     1.52511   112.82852   175.19421
   88    87 S   HC   _H7_    86     1.09644   109.90759    61.78278
   89    87 S   HC   _H8_    87     1.09638   110.09283   -55.57202
   90    87 S   CT   _C4_    88     1.51989   111.38058  -176.80524
   91    90 S   HC   _H4_    89     1.09486   110.96393    60.65198
   92    90 S   HC   _H5_    90     1.09444   110.27138  -179.65226
   93    90 S   HC   _H6_    91     1.09464   111.01036   -59.85979
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   7   4   8   4   3   7   4   8   4
   3   8   4  10   5   4   9   6  10   5   4   2   1   7   4   8
   4   3   7   4   8   4   3   7   4   8   4   3   7   4   8   4
   3   8   4   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42    43    44    45    46    47  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47  
   46    47    48    49    50    51    52  
   47    48    49    50  
   48    49    50    51    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57    60  
   52    53    54    55  
   53    54    55    56    57    58    59    62    60    61  
   54    55    56    57    60  
   55    56    57    60  
   56    57    58    59    62    63    64    60    61  
   57    58    59    62    60    61  
   58    59    62    63    64    65    66    67    60    61  
   59    62    63    64    60  
   62    63    64    60  
   61    62  
    0  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83    84  
   79    80    81    82  
   80    81    82    83    84    85    86    87  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87    88    89    90    91    92    93  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    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  -0.575000   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   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   34   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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    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   240.000  1.763
   33    34   745.000  1.250
   33    38   465.000  1.376
   38    39   340.000  1.080
   38    40   320.000  1.462
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.522
   45    46   570.000  1.229
   45    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.522
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.522
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.522
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.522
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   60    61   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    95.00000  113.88000
   29    33    38    65.00000  122.11800
   33    38    39    40.00000  120.50800
   33    38    40    60.00000  125.92000
   38    33    34    65.00000  137.10300
   38    40    41    80.00000  123.72100
   38    40    42    65.00000  118.62400
   40    38    39    40.00000  117.72500
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    75.00000  107.99600
   42    40    41    80.00000  120.40000
   42    45    46    80.00000  120.40000
   42    45    47    70.00000  116.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    75.00000  107.99600
   47    45    46    80.00000  120.40000
   47    50    51    80.00000  120.40000
   47    50    52    70.00000  116.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    63.00000  111.10000
   52    50    51    80.00000  120.40000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    60    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    62    63.00000  111.10000
   55    60    61    55.00000  108.50000
   57    55    56    37.50000  110.70000
   57    62    63    80.00000  120.40000
   57    62    64    70.00000  116.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    75.00000  107.99600
   64    62    63    80.00000  120.40000
   64    67    68    80.00000  120.40000
   64    67    69    70.00000  116.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    75.00000  107.99600
   69    67    68    80.00000  120.40000
   69    72    73    80.00000  120.40000
   69    72    74    70.00000  116.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    75.00000  107.99600
   74    72    73    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  116.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    75.00000  107.99600
   79    77    78    80.00000  120.40000
   79    82    83    80.00000  120.40000
   79    82    84    70.00000  116.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    63.00000  111.10000
   84    82    83    80.00000  120.40000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   1.00000 -1.0 2.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40    42    45   0.65300  1.0 1.0
   38    40    42    45  -0.03850 -1.0 2.0
   38    40    42    45   0.33900  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.04550  1.0 1.0
   39    38    40    42   0.83000 -1.0 2.0
   39    38    40    42  -0.04000  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    47   0.65300  1.0 1.0
   40    42    45    47  -0.03850 -1.0 2.0
   40    42    45    47   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    49   0.00000  1.0 1.0
   42    45    47    50   0.65300  1.0 1.0
   42    45    47    50  -0.03850 -1.0 2.0
   42    45    47    50   0.33900  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    47   0.00000  1.0 1.0
   45    47    50    51   0.30150 -1.0 2.0
   45    47    50    52   0.65300  1.0 1.0
   45    47    50    52  -0.03850 -1.0 2.0
   45    47    50    52   0.33900  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    50   0.30150 -1.0 2.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    52    55   0.60050  1.0 1.0
   47    50    52    55   0.05600 -1.0 2.0
   47    50    52    55   0.26150  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    55    56  -0.11250  1.0 3.0
   50    52    55    57  -0.95700  1.0 1.0
   50    52    55    57  -0.18200 -1.0 2.0
   50    52    55    57   0.29450  1.0 3.0
   50    52    55    60  -0.09450  1.0 1.0
   50    52    55    60  -1.12950 -1.0 2.0
   50    52    55    60   0.54000  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.30150 -1.0 2.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    62  -0.95700  1.0 1.0
   52    55    57    62  -0.18200 -1.0 2.0
   52    55    57    62   0.29450  1.0 3.0
   52    55    60    61  -0.11600  1.0 1.0
   52    55    60    61  -0.09450 -1.0 2.0
   52    55    60    61   0.21250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    60   0.23400  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    60   0.23400  1.0 3.0
   55    57    62    63   0.30150 -1.0 2.0
   55    57    62    64   0.60050  1.0 1.0
   55    57    62    64   0.05600 -1.0 2.0
   55    57    62    64   0.26150  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62  -0.11250  1.0 3.0
   56    55    60    61   0.19450  1.0 3.0
   57    55    60    61  -0.11600  1.0 1.0
   57    55    60    61  -0.09450 -1.0 2.0
   57    55    60    61   0.21250  1.0 3.0
   57    62    64    65   0.00000  1.0 1.0
   57    62    64    66   0.00000  1.0 1.0
   57    62    64    67   0.65300  1.0 1.0
   57    62    64    67  -0.03850 -1.0 2.0
   57    62    64    67   0.33900  1.0 3.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   59    57    62    63   0.00000  1.0 1.0
   59    57    62    64   0.00000  1.0 1.0
   62    64    67    68   0.30150 -1.0 2.0
   62    64    67    69   0.65300  1.0 1.0
   62    64    67    69  -0.03850 -1.0 2.0
   62    64    67    69   0.33900  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   0.30150 -1.0 2.0
   64    67    69    70   0.00000  1.0 1.0
   64    67    69    71   0.00000  1.0 1.0
   64    67    69    72   0.65300  1.0 1.0
   64    67    69    72  -0.03850 -1.0 2.0
   64    67    69    72   0.33900  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    69   0.00000  1.0 1.0
   67    69    72    73   0.30150 -1.0 2.0
   67    69    72    74   0.65300  1.0 1.0
   67    69    72    74  -0.03850 -1.0 2.0
   67    69    72    74   0.33900  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.30150 -1.0 2.0
   69    72    74    75   0.00000  1.0 1.0
   69    72    74    76   0.00000  1.0 1.0
   69    72    74    77   0.65300  1.0 1.0
   69    72    74    77  -0.03850 -1.0 2.0
   69    72    74    77   0.33900  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    77    78   0.30150 -1.0 2.0
   72    74    77    79   0.65300  1.0 1.0
   72    74    77    79  -0.03850 -1.0 2.0
   72    74    77    79   0.33900  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.30150 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.65300  1.0 1.0
   74    77    79    82  -0.03850 -1.0 2.0
   74    77    79    82   0.33900  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    82    83   0.30150 -1.0 2.0
   77    79    82    84   0.65300  1.0 1.0
   77    79    82    84  -0.03850 -1.0 2.0
   77    79    82    84   0.33900  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.30150 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.60050  1.0 1.0
   79    82    84    87   0.05600 -1.0 2.0
   79    82    84    87   0.26150  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   82    84    87    88  -0.11250  1.0 3.0
   82    84    87    89  -0.11250  1.0 3.0
   82    84    87    90  -0.95700  1.0 1.0
   82    84    87    90  -0.18200 -1.0 2.0
   82    84    87    90   0.29450  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.30150 -1.0 2.0
   84    87    90    91   0.15000  1.0 3.0
   84    87    90    92   0.15000  1.0 3.0
   84    87    90    93   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
   60    55    57    58   0.23400  1.0 3.0
   60    55    57    59   0.23400  1.0 3.0
   60    55    57    62  -0.09450  1.0 1.0
   60    55    57    62  -1.12950 -1.0 2.0
   60    55    57    62   0.54000  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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   42    47    45    46  10.50000 -1.0 2.0
   47    52    50    51  10.50000 -1.0 2.0
   57    64    62    63  10.50000 -1.0 2.0
   64    69    67    68  10.50000 -1.0 2.0
   69    74    72    73  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
END
