* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    249     493
    1     0 S   NP   _N1_     1    29.23655    97.65012   -23.95966
    2     1 S   H    _HN1     2     1.02828    45.20233   173.35365
    3     1 S   H    _H1_     3     1.02785   108.47930   -89.46530
    4     1 S   H    _H2_     4     1.02950    63.95246    12.46899
    5     1 S   CT   _CA1     5     1.50099   138.14295   104.50773
    6     5 S   HC   _HA1     6     1.09577   105.18559   104.15943
    7     5 S   CO3  _C1_     7     1.53808   112.63286   -15.99964
    8     7 S   O2Z  _O11     8     1.26368   114.99848   -39.59265
    9     7 S   O2Z  _O12     9     1.26260   114.95087   139.66501
   10     5 S   CT   _CB1    10     1.53099   107.43464  -137.86818
   11    10 S   HC   HB11    11     1.09825   109.36938   -50.39775
   12    10 S   HC   HB12    12     1.09811   110.43719    66.25244
   13    10 S   CT   _CG1    13     1.52922   112.52129  -171.42416
   14    13 S   HC   HG11    14     1.09550   110.44074   -66.81083
   15    13 S   HC   HG12    15     1.09672   109.81515    52.38636
   16    13 S   C    _CD1    16     1.51738   112.46956   173.09999
   17    16 S   O    _OE1    17     1.22707   123.33445     8.31116
   18    16 S   N    _N2_    18     1.38639   111.52550  -171.98017
   19    18 S   H    _HN2    19     1.01560   118.91642     2.41630
   20    18 S   CT1  _CA2    20     1.46163   123.54076   177.89476
   21    20 S   HC   _HA2    21     1.09724   109.42152     2.54929
   22    20 S   C    _C2_    22     1.53573   108.70637  -113.03051
   23    22 S   O    _O2_    23     1.23056   122.24074  -149.71762
   24    20 S   CT   _CB2    32     1.53249   111.25777   124.67595
   25    24 S   HC   HB21    33     1.09519   109.81268    55.03606
   26    24 S   HC   HB22    34     1.09514   110.49374   173.90506
   27    22 S   N    _N3_    24     1.38314   113.75498    37.79353
   28    27 S   H    _HN3    25     1.01578   119.56471    -3.45649
   29    24 S   S    _SG2    35     1.82976   111.58003   -66.57036
   30    27 S   CT   _CA3    26     1.45286   123.25813   177.15524
   31    30 S   HC   HA31    27     1.09549   107.52342   -63.99900
   32    30 S   HC   HA32    28     1.09555   107.97424    52.44842
   33    29 S   CT   _C25    36     1.82632    99.15729   172.87220
   34    33 S   HC   _H3_    37     1.09421   107.84895    44.59355
   35    33 S   HC   _H4_    38     1.09563   107.28993   159.41915
   36    30 S   CO3  _C3_    29     1.52972   114.04151   174.38361
   37    36 S   O2Z  _O31    30     1.26385   116.05688    -2.10868
   38    36 S   O2Z  _O32    31     1.26426   114.43226   177.95924
   39    33 S   CT   _C17    39     1.53008   111.58935   -79.09229
   40    39 S   HC   _H40    40     1.09618   112.81450    32.27635
   41    39 S   CO4  _C8_    41     1.51529   112.14393   -89.52662
   42    41 S   O    _O23    42     1.22080   126.29350    40.76906
   43    41 S   OS   _O26    43     1.36856   109.67175  -140.09193
   44    43 S   CT   _C15    44     1.43115   108.60302    -6.66280
   45    44 S   HC   _H38    45     1.09426   106.80318   -87.18708
   46    44 S   CM   _C4_    46     1.49500   109.73644   151.33970
   47    46 S   HC   _H31    47     1.08871   114.28884   -68.11511
   48    39 S   CT   _C18    62     1.54047   112.54071   156.80843
   49    48 S   HC   _H41    63     1.09907   107.22958    40.51483
   50    46 S   CM   _C6_    48     1.34822   126.38827   124.60215
   51    50 S   CT   _C13    49     1.51834   118.13411   154.27602
   52    51 S   HC   _H34    50     1.09823   110.77262    27.56882
   53    51 S   HC   _H35    51     1.09728   110.40305   142.78023
   54    50 S   CT   _C20    90     1.50119   125.35575   -16.08160
   55    54 S   HC   _H43    91     1.09385   110.97981   102.50029
   56    54 S   HC   _H44    92     1.09329   112.52936   -19.41030
   57    54 S   HC   _H45    93     1.09537   109.91373  -137.75908
   58    51 S   CT   _C16    52     1.55488   111.71781   -94.85998
   59    58 S   HC   _H39    53     1.09749   108.34029   -85.74099
   60    58 S   CM   _C5_    54     1.51496   113.56497    33.14115
   61    60 S   HC   _H32    55     1.09003   113.29325  -104.30536
   62    58 S   OH   _O27    88     1.42230   110.63618   157.81811
   63    62 S   HO   _H59    89     0.97221   107.49054    54.94472
   64    60 S   CM   _C7_    56     1.34917   128.55816    65.00175
   65    64 S   CT   _C14    57     1.51554   120.10309  -165.73818
   66    65 S   HC   _H36    58     1.09823   108.48618  -165.67694
   67    65 S   HC   _H37    59     1.09841   107.92341   -51.89800
   68    64 S   CT   _C21    84     1.50484   124.82795    12.42380
   69    68 S   HC   _H46    85     1.09522   109.67062   114.64736
   70    68 S   HC   _H47    86     1.09148   113.55369    -5.56338
   71    68 S   HC   _H48    87     1.09403   110.83893  -126.26505
   72    65 S   CT   _C19    60     1.55622   117.65380    71.79223
   73    72 S   HC   _H42    61     1.09768   104.55283   169.11649
   74    72 S   OS   _O28    64     1.44437   110.38529   -75.17554
   75    74 S   CO4  _C11    65     1.35949   117.65342   -87.46681
   76    75 S   O    _O24    66     1.22125   126.83672     2.28995
   77    75 S   CM   _C10    67     1.48508   108.78766  -176.45138
   78    77 S   CM   _C9_    68     1.34534   120.27950  -137.02986
   79    78 S   HC   _H33    69     1.08934   117.84395  -178.17447
   80    77 S   CT   _C24    74     1.50425   117.44323    44.07474
   81    80 S   HC   _H55    75     1.09498   109.66214   -67.47677
   82    80 S   HC   _H56    76     1.09631   111.27677   172.67365
   83    78 S   CT   _C22    70     1.49594   128.31080     3.52220
   84    83 S   HC   _H49    71     1.09399   109.99805  -108.12975
   85    83 S   HC   _H50    72     1.09509   109.31735   133.35707
   86    83 S   HC   _H51    73     1.09243   113.51039    14.10076
   87    80 S   OS   _O29    77     1.43774   109.20975    53.48588
   88    87 S   CO4  _C12    78     1.36339   115.34767  -168.21526
   89    88 S   O    _O25    79     1.22333   126.13865     0.77329
   90    88 S   CT   _C23    80     1.49790   109.71992  -179.13952
   91    90 S   HC   _H52    81     1.09227   109.96529   -61.36717
   92    90 S   HC   _H53    82     1.09373   109.38733   179.57158
   93    90 S   HC   _H54    83     1.09287   109.79146    60.58896
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  11  13   6   5   4   2   1   1   8   5  12   4   2   1  10
  10   5   4   4   2   1   1   5   2   5   9   3  11   9   5   7
   3   2   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    72    73    48    49    74  
   41    42    43    44    72    48    49  
   42    43    44    45    46    72    48    49  
   43    44    48  
   44    45    46    47    50    72    48    49  
   45    46    47    50    51    65    72    73    48    49    74    54  
   46    47    50    72    48    49  
   47    50    51    52    53    58    72    48    49    54    55    56    57  
   50    51    48    54  
   49    74    75    50    64    65    66    67    72    73  
   74    65    72    73  
   51    52    53    58    59    60    62    54    55    56    57  
   52    53    58    59    60    61    64    62    63    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    64    65    68    62    63  
   60    61    64    62    63  
   61    64    65    66    67    72    68    69    70    71    62    63  
   64    65    68    62  
   63    64  
    0  
   65    66    67    72    73    74    68    69    70    71  
   66    67    72    73    74    75    68    69    70    71  
   67    72    73    74    68  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75  
   75    76    77    78    80  
   76    77    78    79    83    80    81    82    87  
   77    78    80  
   78    79    83    84    85    86    80    81    82    87    88  
   79    83    84    85    86    80    81    82    87  
   83    84    85    86    80  
   81    82    87    88    89    90    83  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    62   320.000  1.410
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    48   268.000  1.529
   72    74   320.000  1.410
   48    49   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    88   214.000  1.327
   88    89   570.000  1.229
   88    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    72    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    72    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    58    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    70.00000  112.02700
   51    58    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    35.00000  117.00000
   58    60    64    70.00000  124.00000
   58    62    63    55.00000  108.50000
   60    58    59    35.00000  109.50000
   60    64    65    70.00000  124.00000
   60    64    68    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    72    70.00000  112.02700
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    48    58.35000  112.70000
   65    72    74    50.00000  109.50000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    48    49    37.50000  110.70000
   72    74    75    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    72    73    37.50000  110.70000
   74    72    73    35.00000  109.50000
   74    72    48    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    83    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    87    85.00000  110.90400
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   83    78    79    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   80    77    78    70.00000  124.00000
   80    87    88    83.00000  116.90000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   87    88    89    83.00000  123.40000
   87    88    90    81.00000  111.40000
   88    90    91    35.00000  109.50000
   88    90    92    35.00000  109.50000
   88    90    93    35.00000  109.50000
   90    88    89    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   68    64    65    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    90.00000  110.39200
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    72   0.56750  1.0 1.0
   33    39    48    72  -0.07550 -1.0 2.0
   33    39    48    72   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    72   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    72  -0.95700  1.0 1.0
   41    39    48    72  -0.18200 -1.0 2.0
   41    39    48    72   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    72   0.62750  1.0 1.0
   43    44    48    72  -0.30950 -1.0 2.0
   43    44    48    72   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    72   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    72   0.34400  1.0 1.0
   46    44    48    72   0.09450 -1.0 2.0
   46    44    48    72   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    58   0.09850  1.0 1.0
   46    50    51    58   0.15250 -1.0 2.0
   46    50    51    58  -0.50650  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    60   0.31000  1.0 1.0
   50    51    58    60   0.14700 -1.0 2.0
   50    51    58    60   0.07550  1.0 3.0
   50    51    58    62   1.05650  1.0 1.0
   50    51    58    62   0.15600 -1.0 2.0
   50    51    58    62   0.53150  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    50    54    57   0.34800  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    64   0.09850  1.0 1.0
   51    58    60    64   0.15250 -1.0 2.0
   51    58    60    64  -0.50650  1.0 3.0
   51    58    62    63  -0.11600  1.0 1.0
   51    58    62    63  -0.09450 -1.0 2.0
   51    58    62    63   0.21250  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    62   0.23400  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.23400  1.0 3.0
   58    60    64    65   7.00000 -1.0 2.0
   58    60    64    68   7.00000 -1.0 2.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    64   0.00000  1.0 1.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.07800  1.0 1.0
   60    58    62    63  -0.21500 -1.0 2.0
   60    58    62    63  -0.03150  1.0 3.0
   60    64    65    66   0.00000  1.0 1.0
   60    64    65    67   0.00000  1.0 1.0
   60    64    65    72   0.09850  1.0 1.0
   60    64    65    72   0.15250 -1.0 2.0
   60    64    65    72  -0.50650  1.0 3.0
   60    64    68    69   0.00000  1.0 1.0
   60    64    68    70   0.00000  1.0 1.0
   60    64    68    71   0.00000  1.0 1.0
   61    60    64    65   7.00000 -1.0 2.0
   61    60    64    68   7.00000 -1.0 2.0
   64    65    72    73   0.15000  1.0 3.0
   64    65    72    48   0.34400  1.0 1.0
   64    65    72    48   0.09450 -1.0 2.0
   64    65    72    48   0.11100  1.0 3.0
   64    65    72    74   0.61850  1.0 1.0
   64    65    72    74  -0.22750 -1.0 2.0
   64    65    72    74   0.15300  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    64    68    70   0.34800  1.0 3.0
   65    64    68    71   0.34800  1.0 3.0
   65    72    48    39   0.56750  1.0 1.0
   65    72    48    39  -0.07550 -1.0 2.0
   65    72    48    39   0.20000  1.0 3.0
   65    72    48    44   0.56750  1.0 1.0
   65    72    48    44  -0.07550 -1.0 2.0
   65    72    48    44   0.20000  1.0 3.0
   65    72    48    49   0.15000  1.0 3.0
   65    72    74    75  -0.25900  1.0 1.0
   65    72    74    75  -0.47000 -1.0 2.0
   65    72    74    75   0.11750  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    48   0.15000  1.0 3.0
   66    65    72    74   0.23400  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    48   0.15000  1.0 3.0
   67    65    72    74   0.23400  1.0 3.0
   72    74    75    76   3.00000 -1.0 2.0
   72    74    75    77   2.00000 -1.0 2.0
   73    72    48    39   0.15000  1.0 3.0
   73    72    48    44   0.15000  1.0 3.0
   73    72    48    49   0.15000  1.0 3.0
   73    72    74    75   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    72    74    75  -0.25900  1.0 1.0
   48    72    74    75  -0.47000 -1.0 2.0
   48    72    74    75   0.11750  1.0 3.0
   74    72    48    39   0.62750  1.0 1.0
   74    72    48    39  -0.30950 -1.0 2.0
   74    72    48    39   0.27300  1.0 3.0
   74    72    48    44   0.62750  1.0 1.0
   74    72    48    44  -0.30950 -1.0 2.0
   74    72    48    44   0.27300  1.0 3.0
   74    72    48    49   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    83   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    87   0.09700  1.0 1.0
   75    77    80    87   0.15600 -1.0 2.0
   75    77    80    87  -0.50800  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    85   0.00000  1.0 1.0
   77    78    83    86   0.00000  1.0 1.0
   77    80    87    88  -0.82050  1.0 1.0
   77    80    87    88   0.00600 -1.0 2.0
   77    80    87    88   0.04400  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    87   0.39000  1.0 1.0
   78    77    80    87  -0.05800 -1.0 2.0
   78    77    80    87  -0.55150  1.0 3.0
   79    78    83    84   0.33100  1.0 3.0
   79    78    83    85   0.33100  1.0 3.0
   79    78    83    86   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    83   7.00000 -1.0 2.0
   80    87    88    89   3.00000 -1.0 2.0
   80    87    88    90   1.63150  1.0 1.0
   80    87    88    90   2.92000 -1.0 2.0
   81    80    87    88   0.08050  1.0 3.0
   82    80    87    88   0.08050  1.0 3.0
   87    88    90    91   0.00000  1.0 1.0
   87    88    90    92   0.00000  1.0 1.0
   87    88    90    93   0.00000  1.0 1.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   0.00000  1.0 1.0
   89    88    90    93   0.00000  1.0 1.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    72   0.46850  1.0 1.0
   68    64    65    72   0.08550 -1.0 2.0
   68    64    65    72   0.09800  1.0 3.0
   62    58    60    61   0.00000  1.0 1.0
   62    58    60    64   0.67800  1.0 1.0
   62    58    60    64   0.47050 -1.0 2.0
   62    58    60    64  -0.62500  1.0 3.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    58   0.46850  1.0 1.0
   54    50    51    58   0.08550 -1.0 2.0
   54    50    51    58   0.09800  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   58    61    60    64   1.10000 -1.0 2.0
   65    68    64    60   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   83    79    78    77  15.00000 -1.0 2.0
   87    90    88    89  10.50000 -1.0 2.0
END
