* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    171    252     482
    1     0 S   NP   _N1_     1    28.57093    95.11355   -25.71966
    2     1 S   H    _HN1     2     1.02947    71.77114    18.24320
    3     1 S   H    _H1_     3     1.02827    35.61243  -169.48818
    4     1 S   H    _H2_     4     1.02794   115.35557   -83.95571
    5     1 S   CT   _CA1     5     1.50123   128.61027   120.19503
    6     5 S   HC   _HA1     6     1.09574   105.15803    95.11560
    7     5 S   CO3  _C1_     7     1.53758   112.50196   -25.07896
    8     7 S   O2Z  _O11     8     1.26373   115.00227   -41.82790
    9     7 S   O2Z  _O12     9     1.26237   114.93875   137.21801
   10     5 S   CT   _CB1    10     1.53063   107.41314  -146.91693
   11    10 S   HC   HB11    11     1.09841   109.29554   -49.51328
   12    10 S   HC   HB12    12     1.09810   110.48240    67.07121
   13    10 S   CT   _CG1    13     1.53025   112.65842  -170.46380
   14    13 S   HC   HG11    14     1.09570   110.73318   -67.87009
   15    13 S   HC   HG12    15     1.09671   109.69451    51.38132
   16    13 S   C    _CD1    16     1.51812   111.99814   171.84163
   17    16 S   O    _OE1    17     1.22752   123.18915    12.42573
   18    16 S   N    _N2_    18     1.38657   111.83031  -167.55233
   19    18 S   H    _HN2    19     1.01574   118.94352     1.18300
   20    18 S   CT1  _CA2    20     1.46224   123.34364   176.10152
   21    20 S   HC   _HA2    21     1.09736   109.35226     7.11792
   22    20 S   C    _C2_    22     1.53668   108.67461  -108.38786
   23    22 S   O    _O2_    23     1.23075   122.24391  -147.75901
   24    20 S   CT   _CB2    32     1.53381   111.62856   129.24797
   25    24 S   HC   HB21    33     1.09443   109.79488    56.95224
   26    24 S   HC   HB22    34     1.09471   109.72639   175.69270
   27    22 S   N    _N3_    24     1.38306   113.83015    39.64471
   28    27 S   H    _HN3    25     1.01547   119.63706    -3.01084
   29    24 S   S    _SG2    35     1.82859   111.34923   -65.04800
   30    27 S   CT   _CA3    26     1.45290   123.29771   177.31569
   31    30 S   HC   HA31    27     1.09546   107.48897   -65.45272
   32    30 S   HC   HA32    28     1.09555   108.03106    51.02037
   33    29 S   CT   _C16    36     1.86253   101.41662   167.88392
   34    30 S   CO3  _C3_    29     1.52983   114.01665   173.02934
   35    34 S   O2Z  _O31    30     1.26387   116.06304    -0.75459
   36    34 S   O2Z  _O32    31     1.26422   114.42605   179.30903
   37    33 S   CM   _C4_    37     1.52504   107.04031   176.46897
   38    33 S   CT   _C19    89     1.53324   110.83426    52.04691
   39    38 S   HC   _H40    90     1.09541   111.62788   -71.16378
   40    38 S   HC   _H41    91     1.09620   111.57101   169.84115
   41    38 S   HC   _H42    92     1.09603   112.01534    50.03805
   42    37 S   CMA  _C5_    38     1.35099   112.49253    99.12654
   43    42 S   OM   _O23    39     1.25723   135.43420  -178.34815
   44    37 S   CT   _C24    75     1.50746   122.29850   -77.49941
   45    44 S   HC   _H55    76     1.09525   109.74305   141.07377
   46    44 S   HC   _H56    77     1.09668   109.91312    26.90426
   47    42 S   CT   _C12    40     1.51325   110.13323     0.37949
   48    47 S   HC   _H32    41     1.09642   112.51747   137.01545
   49    47 S   HC   _H33    42     1.09777   109.88040  -101.41995
   50    44 S   CM   _C7_    78     1.50329   112.76568   -94.07682
   51    50 S   HC   _H30    79     1.08817   115.67123    70.01916
   52    33 S   CT   _C15    43     1.55163   110.71422   -74.20022
   53    52 S   HC   _H36    44     1.09538   112.97257    34.81482
   54    50 S   CM   _C8_    80     1.34245   127.70953  -111.53755
   55    54 S   HC   _H31    81     1.08903   117.07197  -179.23281
   56    52 S   OS   _O27    45     1.44890   109.43292   155.46543
   57    54 S   CT   _C25    82     1.50016   127.69791     1.90690
   58    57 S   HC   _H57    83     1.09308   112.30694     8.68225
   59    57 S   HC   _H58    84     1.09632   108.39956   125.87175
   60    56 S   CO4  _C11    46     1.35859   117.60842  -164.98739
   61    60 S   O    _O25    47     1.22224   126.97844     2.37981
   62    57 S   CT   _C22    85     1.52085   111.24935  -113.96106
   63    62 S   HC   _H49    86     1.09532   111.30072   -58.81352
   64    62 S   HC   _H50    87     1.09474   110.18936  -178.50263
   65    62 S   HC   _H51    88     1.09530   111.12781    61.82137
   66    60 S   C3T  _C14    48     1.47969   110.91971  -179.27261
   67    66 S   HC   _H35    49     1.08695   112.50819   -85.33964
   68    66 S   C3T  _C13    50     1.51510   119.52545   131.92816
   69    68 S   HC   _H34    51     1.08708   116.48464    -3.66725
   70    66 S   C3T  _C17    52     1.52093   121.65111    60.87386
   71    68 S   CM   _C6_    61     1.47208   119.00302   137.15442
   72    71 S   HC   _H29    62     1.08887   114.37639   -28.91974
   73    70 S   CT   _C20    53     1.51047   120.31678     3.31127
   74    73 S   HC   _H43    54     1.09503   110.43096   -81.62588
   75    73 S   HC   _H44    55     1.09520   110.12561   158.96212
   76    73 S   HC   _H45    56     1.09482   112.44807    39.21346
   77    70 S   CT   _C21    57     1.51007   116.67837  -140.03242
   78    77 S   HC   _H46    58     1.09531   110.09240    90.08716
   79    77 S   HC   _H47    59     1.09502   112.63327   -29.69259
   80    77 S   HC   _H48    60     1.09496   110.36578  -150.56768
   81    71 S   CM   _C9_    63     1.34760   126.84532   151.86346
   82    81 S   CO4  _C10    64     1.49386   116.83091   179.93147
   83    82 S   O    _O24    65     1.22285   124.64595    -1.09325
   84    81 S   CT   _C18    71     1.50066   124.07258    -0.13270
   85    84 S   HC   _H37    72     1.09514   110.46738   121.34104
   86    84 S   HC   _H38    73     1.09508   110.41785  -118.37578
   87    84 S   HC   _H39    74     1.09398   112.76941     1.58918
   88    82 S   OS   _O26    66     1.36058   109.72124   178.81684
   89    88 S   CT   _C23    67     1.43097   115.40180  -179.94405
   90    89 S   HC   _H52    68     1.09328   108.09157  -179.97202
   91    89 S   HC   _H53    69     1.09423   110.28719    61.34880
   92    89 S   HC   _H54    70     1.09423   110.29063   -61.28142
  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  12   5   4   3
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   7   3   5   2   8   4   6   6   5   4   9   4   3   2   1
   1  15   6  15   6  11  11   3   7   3   2   1   3   2   1   1
   8  10   3   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    56    60    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    56    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    56  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    56    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    57    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    56    60  
   49    52    53    56  
   52    53    56  
   51    54    55    57    58    59    62  
   54    55    57  
   53    56    60    61    66  
   56    60  
   55    57    58    59    62    63    64    65  
   57    58    59    62  
   60    61    66    67    68    70  
   58    59    62    63    64    65  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    69    70    73    77    71  
   66    67    68    70  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    73    74    75    76    77    78    79    80    71    72    81  
   68    69    70    73    77    71  
   69    70    73    74    75    76    77    78    79    80    71    72    81    82    84  
   70    73    77    71    72    81  
   73    74    75    76    77    78    79    80    71    72    81  
   72    81    82    83    88    84    85    86    87    73    77  
   81    82    84  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    88    89    84    85    86    87  
   83    88    89    90    91    92    84    85    86    87  
   88    89    84  
   85    86    87    88  
   86    87  
   87  
    0  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    60   214.000  1.327
   60    61   570.000  1.229
   60    66   290.000  1.496
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    70   260.000  1.509
   68    69   340.000  1.088
   68    70   260.000  1.509
   68    71   305.000  1.480
   70    73   275.000  1.510
   70    77   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   71    72   340.000  1.080
   71    81   549.000  1.340
   81    82   320.000  1.462
   81    84   317.000  1.510
   82    83   570.000  1.229
   82    88   214.000  1.327
   88    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    60    83.00000  116.90000
   56    52    53    35.00000  109.50000
   56    60    61    83.00000  123.40000
   56    60    66    81.00000  111.40000
   60    66    67    40.00000  116.18000
   60    66    68    65.00000  117.18000
   60    66    70    65.00000  117.18000
   66    60    61    75.00000  121.36600
   66    68    69    37.50000  117.20000
   66    68    70    10.00000   60.00500
   66    68    71    60.00000  120.58800
   66    70    68    10.00000   60.00500
   66    70    73    60.00000  120.94000
   66    70    77    60.00000  120.94000
   68    66    67    37.50000  117.20000
   68    70    73    60.00000  120.94000
   68    70    77    60.00000  120.94000
   68    71    72    40.00000  117.24000
   68    71    81    55.00000  125.06700
   70    66    67    37.50000  117.20000
   70    66    68    10.00000   60.00500
   70    68    69    37.50000  117.20000
   70    73    74    45.00000  109.38400
   70    73    75    45.00000  109.38400
   70    73    76    45.00000  109.38400
   70    77    78    45.00000  109.38400
   70    77    79    45.00000  109.38400
   70    77    80    45.00000  109.38400
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   71    68    69    40.00000  112.45000
   71    68    70    60.00000  120.58800
   71    81    82    65.00000  118.96000
   71    81    84    70.00000  124.00000
   81    71    72    35.00000  120.00000
   81    82    83    80.00000  123.72100
   81    82    88    90.00000  111.29400
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   82    88    89    83.00000  116.90000
   88    82    83    83.00000  123.40000
   88    89    90    35.00000  109.50000
   88    89    91    35.00000  109.50000
   88    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   84    81    82    65.00000  116.34900
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.02700
   57    54    55    35.00000  117.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    56    60  -0.25900  1.0 1.0
   33    52    56    60  -0.47000 -1.0 2.0
   33    52    56    60   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56   0.61850  1.0 1.0
   37    33    52    56  -0.22750 -1.0 2.0
   37    33    52    56   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    56   0.61850  1.0 1.0
   42    47    52    56  -0.22750 -1.0 2.0
   42    47    52    56   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    56    60  -0.25900  1.0 1.0
   47    52    56    60  -0.47000 -1.0 2.0
   47    52    56    60   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    56    60    61   3.00000 -1.0 2.0
   52    56    60    66   1.63150  1.0 1.0
   52    56    60    66   2.92000 -1.0 2.0
   53    52    56    60   0.08050  1.0 3.0
   56    60    66    67   0.00000  1.0 1.0
   56    60    66    68   0.36750  1.0 3.0
   56    60    66    70   0.36750  1.0 3.0
   60    66    68    69   0.15000  1.0 3.0
   60    66   -68    70  -0.95700  1.0 1.0
   60    66   -68    70  -0.18200 -1.0 2.0
   60    66   -68    70   0.29450  1.0 3.0
   60    66    68    71  -0.98800  1.0 1.0
   60    66    68    71   0.48800 -1.0 2.0
   60    66    68    71   0.76800  1.0 3.0
   60    66   -70    68  -0.95700  1.0 1.0
   60    66   -70    68  -0.18200 -1.0 2.0
   60    66   -70    68   0.29450  1.0 3.0
   60    66    70    73  -0.95700  1.0 1.0
   60    66    70    73  -0.18200 -1.0 2.0
   60    66    70    73   0.29450  1.0 3.0
   60    66    70    77  -0.95700  1.0 1.0
   60    66    70    77  -0.18200 -1.0 2.0
   60    66    70    77   0.29450  1.0 3.0
   61    60    66    67   0.50000  1.0 3.0
   61    60    66    68   0.30150 -1.0 2.0
   61    60    66    70   0.30150 -1.0 2.0
   66    68   -70    73   0.07850  1.0 1.0
   66    68   -70    73  -0.03950 -1.0 2.0
   66    68   -70    73   0.67350  1.0 3.0
   66    68   -70    77   0.07850  1.0 1.0
   66    68   -70    77  -0.03950 -1.0 2.0
   66    68   -70    77   0.67350  1.0 3.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    81   0.09850  1.0 1.0
   66    68    71    81   0.15250 -1.0 2.0
   66    68    71    81  -0.50650  1.0 3.0
   66    70    73    74   0.15000  1.0 3.0
   66    70    73    75   0.15000  1.0 3.0
   66    70    73    76   0.15000  1.0 3.0
   66    70    77    78   0.15000  1.0 3.0
   66    70    77    79   0.15000  1.0 3.0
   66    70    77    80   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66   -68    70   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66   -70    68   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    66    70    77   0.15000  1.0 3.0
   68    66   -70    73   0.07850  1.0 1.0
   68    66   -70    73  -0.03950 -1.0 2.0
   68    66   -70    73   0.67350  1.0 3.0
   68    66   -70    77   0.07850  1.0 1.0
   68    66   -70    77  -0.03950 -1.0 2.0
   68    66   -70    77   0.67350  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.15000  1.0 3.0
   68    70    73    76   0.15000  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   68    70    77    80   0.15000  1.0 3.0
   68    71    81    82   7.00000 -1.0 2.0
   68    71    81    84   7.00000 -1.0 2.0
   69    68   -70    66   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    70    77   0.15000  1.0 3.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    81   0.00000  1.0 1.0
   70    66   -68    69   0.15000  1.0 3.0
   70    66   -68    71   0.34400  1.0 1.0
   70    66   -68    71   0.09450 -1.0 2.0
   70    66   -68    71   0.11100  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    81   0.09850  1.0 1.0
   70    68    71    81   0.15250 -1.0 2.0
   70    68    71    81  -0.50650  1.0 3.0
   73    70    77    78   0.15000  1.0 3.0
   73    70    77    79   0.15000  1.0 3.0
   73    70    77    80   0.15000  1.0 3.0
   77    70    73    74   0.15000  1.0 3.0
   77    70    73    75   0.15000  1.0 3.0
   77    70    73    76   0.15000  1.0 3.0
   71    68   -70    66   0.34400  1.0 1.0
   71    68   -70    66   0.09450 -1.0 2.0
   71    68   -70    66   0.11100  1.0 3.0
   71    68    70    73   0.34400  1.0 1.0
   71    68    70    73   0.09450 -1.0 2.0
   71    68    70    73   0.11100  1.0 3.0
   71    68    70    77   0.34400  1.0 1.0
   71    68    70    77   0.09450 -1.0 2.0
   71    68    70    77   0.11100  1.0 3.0
   71    81    82    83   1.00000 -1.0 2.0
   71    81    82    88  -0.56150  1.0 1.0
   71    81    82    88   2.19150 -1.0 2.0
   71    81    84    85   0.00000  1.0 1.0
   71    81    84    86   0.00000  1.0 1.0
   71    81    84    87   0.00000  1.0 1.0
   72    71    81    82   7.00000 -1.0 2.0
   72    71    81    84   7.00000 -1.0 2.0
   81    82    88    89   2.00000 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   82    88    89    90   0.08050  1.0 3.0
   82    88    89    91   0.08050  1.0 3.0
   82    88    89    92   0.08050  1.0 3.0
   83    82    88    89   3.00000 -1.0 2.0
   84    81    82    83  -0.64400  1.0 1.0
   84    81    82    83   0.26850 -1.0 2.0
   84    81    82    88  -0.15000  1.0 1.0
   84    81    82    88   0.89550 -1.0 2.0
   84    81    82    88  -0.06900  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    57   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    62   0.09850  1.0 1.0
   50    54    57    62   0.15250 -1.0 2.0
   50    54    57    62  -0.50650  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    57    62    63   0.15000  1.0 3.0
   54    57    62    64   0.15000  1.0 3.0
   54    57    62    65   0.15000  1.0 3.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.33100  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   56    66    60    61  10.50000 -1.0 2.0
   68    72    71    81  15.00000 -1.0 2.0
   82    84    81    71  15.00000 -1.0 2.0
   81    88    82    83  10.50000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   57    55    54    50  15.00000 -1.0 2.0
END
