* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    244     475
    1     0 S   NP   _N1_     1    29.86471    99.57537   -18.52209
    2     1 S   H    _HN1     2     1.02775    57.65654   -61.59435
    3     1 S   H    _H1_     3     1.02959    82.91599    55.43746
    4     1 S   H    _H2_     4     1.02827    67.39859   167.23899
    5     1 S   CT   _CA1     5     1.50131   166.09599  -107.71957
    6     5 S   HC   _HA1     6     1.09570   105.21321   -20.40636
    7     5 S   CO3  _C1_     7     1.53810   112.48990  -140.59936
    8     7 S   O2Z  _O11     8     1.26366   115.00224   -40.08081
    9     7 S   O2Z  _O12     9     1.26243   115.00962   139.20235
   10     5 S   CT   _CB1    10     1.53114   107.40825    97.60215
   11    10 S   HC   HB11    11     1.09819   109.37790   -49.51800
   12    10 S   HC   HB12    12     1.09822   110.41356    67.10941
   13    10 S   CT   _CG1    13     1.52947   112.62062  -170.60487
   14    13 S   HC   HG11    14     1.09516   110.41591   -63.31242
   15    13 S   HC   HG12    15     1.09659   110.00874    55.77247
   16    13 S   C    _CD1    16     1.51800   112.44940   175.94947
   17    16 S   O    _OE1    17     1.22709   123.31563    -6.72698
   18    16 S   N    _N2_    18     1.38591   111.49305   174.05980
   19    18 S   H    _HN2    19     1.01583   118.91413     0.66676
   20    18 S   CT1  _CA2    20     1.46271   123.61033   178.71412
   21    20 S   HC   _HA2    21     1.09734   109.43445    -8.15360
   22    20 S   C    _C2_    22     1.53446   108.08119  -123.56319
   23    22 S   O    _O2_    23     1.23017   122.54614  -146.88640
   24    20 S   CT   _CB2    32     1.53320   111.32960   114.12191
   25    24 S   HC   HB21    33     1.09591   109.65384    52.96787
   26    24 S   HC   HB22    34     1.09405   110.47397   172.10733
   27    22 S   N    _N3_    24     1.38421   113.41061    40.56669
   28    27 S   H    _HN3    25     1.01636   119.47325    -3.54160
   29    24 S   S    _SG2    35     1.82805   111.23402   -67.86828
   30    27 S   CT   _CA3    26     1.45278   123.11169   177.00794
   31    30 S   HC   HA31    27     1.09558   107.52297   -63.90929
   32    30 S   HC   HA32    28     1.09563   107.95225    52.49604
   33    29 S   CT   _C10    36     1.87316    99.96319   168.71378
   34    33 S   HC   _H3_    37     1.09328   104.00845   -14.94145
   35    30 S   CO3  _C3_    29     1.52928   114.14692   174.47941
   36    35 S   O2Z  _O31    30     1.26364   116.06962    -0.87916
   37    35 S   O2Z  _O32    31     1.26433   114.40513   179.17671
   38    33 S   CT   _C11    38     1.56818   109.48461  -129.09317
   39    38 S   HC   _H4_    39     1.08751   108.93631  -159.88660
   40    33 S   CT   _C9_    63     1.58686   114.74724   101.32744
   41    40 S   OM   _O39    64     1.32815   109.14178   -57.50257
   42    38 S   CT   _C12    40     1.54288   113.82726    77.33905
   43    42 S   HC   _H5_    41     1.09669   111.53358     7.02538
   44    40 S   CT   _C23    65     1.55888   110.88145    60.88249
   45    44 S   HC   _H26    66     1.09431   110.66975    60.23752
   46    44 S   HC   _H27    67     1.09618   112.83398   -60.23970
   47    42 S   CM   _C20    42     1.49420   100.60146  -109.50104
   48    42 S   CT   _C13    49     1.55788   115.32232   130.82985
   49    48 S   HC   _H6_    50     1.09918   107.47442   164.65758
   50    44 S   OH   _O38    68     1.42942   112.24204   178.76981
   51    50 S   HO   _H28    69     0.97399   105.55625    47.91803
   52    47 S   CO4  _C22    43     1.47282   110.24333   -14.67566
   53    52 S   O    _O36    44     1.21778   126.93971  -171.43613
   54    47 S   CM   _C21    46     1.33598   128.02116   163.47738
   55    54 S   HC   _H24    47     1.08488   120.95071     0.83837
   56    54 S   HC   _H25    48     1.08525   121.75610  -179.05064
   57    48 S   CT   _C14    51     1.55431   114.57917   -77.10955
   58    57 S   HC   _H15    52     1.09815   108.07819   -63.15950
   59    57 S   HC   _H16    53     1.09705   109.66404  -177.78053
   60    48 S   OS   _O33    74     1.44541   109.09605    47.31648
   61    38 S   OS   _O37    45     1.44303   112.66669   -45.15577
   62    57 S   CM   _C5_    54     1.51527   115.14073    59.93005
   63    60 S   CO4  _C15    75     1.35869   118.20133   151.93226
   64    63 S   O    _O34    76     1.22202   126.08560     0.93565
   65    62 S   CM   _C6_    55     1.34718   119.50063   -94.52096
   66    65 S   HC   _H10    56     1.08876   118.27946    -6.17098
   67    62 S   CT   _C4_    70     1.50442   116.32720    82.34024
   68    67 S   HC   _H7_    71     1.09297   111.13685   -69.17920
   69    67 S   HC   _H8_    72     1.09352   112.67910   169.93700
   70    67 S   HC   _H9_    73     1.09515   110.11624    50.97558
   71    63 S   CM   _C16    77     1.49542   109.10134  -179.50386
   72    65 S   CT   _C7_    57     1.50116   126.74881   165.10014
   73    72 S   HC   _H11    58     1.09694   109.08839    55.91086
   74    72 S   HC   _H12    59     1.09655   108.67061   170.08440
   75    71 S   CM   _C17    78     1.34644   115.90222  -161.72980
   76    75 S   HC   _H17    79     1.08970   119.15051     0.62683
   77    71 S   CT   _C19    85     1.50057   117.99094    19.43636
   78    77 S   HC   _H21    86     1.09501   110.42838   -71.53927
   79    77 S   HC   _H22    87     1.09211   113.23566   167.56062
   80    77 S   HC   _H23    88     1.09561   110.36908    48.42287
   81    72 S   CT   _C8_    60     1.55186   114.68093   -66.61697
   82    81 S   HC   _H13    61     1.09732   108.76866    57.03241
   83    81 S   HC   _H14    62     1.10180   105.53522   168.23642
   84    75 S   CT   _C18    80     1.49566   127.55405   179.27855
   85    84 S   HC   _H18    81     1.09130   113.85379    -1.37430
   86    84 S   HC   _H19    82     1.09483   109.37431  -122.46385
   87    84 S   OH   _O35    83     1.42080   108.40068   119.48840
   88    87 S   HO   _H20    84     0.97231   107.04456   177.87477
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  16   7  15   8  16   8   8   4   3  10  14
   6   2   1   5   2   3   1   1  12   5   4   6   1  10   9   3
  11   5   4   2   1   1  10   5   4   3  10   5   4   2   1   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    61    81    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    52    61    48    72    81    82    83    40    41    44    45    46    50  
   38    39    42    61    81    40    41    44  
   36    37  
   37  
    0  
   39    42    43    47    52    53    61    54    48    49    57    81    40    41    44    60  
   42    43    47    52    61    48    40  
   41    44    45    46    50    51    42    61    65    72    73    74    81    82    83  
   44    45    46    50    72    81    82    83  
   43    47    52    53    61    54    55    56    48    49    57    58    59    62    60    63  
   47    52    61    54    48    49    57    60  
   45    46    50    51    72    81    82    83  
   46    50    51    81  
   50    51    81  
   52    53    61    54    55    56    48    49    57    60  
   49    57    58    59    62    65    67    60    63    64    71    52    54    61  
   57    58    59    62    60    63  
   51    81  
    0  
   53    61    54    55    56  
   61    54  
   55    56    61  
   56  
    0  
   58    59    62    65    66    72    67    68    69    70    60    63  
   59    62    65    67    60  
   62    65    67    60  
   63    64    71    75    77    62  
    0  
   65    66    72    73    74    81    67    68    69    70  
   64    71    75    76    84    77    78    79    80  
   71    75    77  
   66    72    73    74    81    82    83    67    68    69    70  
   72    73    74    81    67  
   68    69    70    72  
   69    70  
   70  
    0  
   75    76    84    85    86    87    77    78    79    80  
   73    74    81    82    83  
   74    81    82    83  
   81    82    83  
   76    84    85    86    87    88    77    78    79    80  
   84    85    86    87    77  
   78    79    80    84  
   79    80  
   80  
    0  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.145000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    61   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.510
   42    48   268.000  1.529
   47    52   320.000  1.462
   47    54   549.000  1.340
   52    53   570.000  1.229
   52    61   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   48    49   340.000  1.090
   48    57   268.000  1.529
   48    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    65   549.000  1.340
   62    67   317.000  1.510
   65    66   340.000  1.080
   65    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    51   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    71   320.000  1.462
   71    75   549.000  1.340
   71    77   317.000  1.510
   75    76   340.000  1.080
   75    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    81    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    47    70.00000  112.02700
   38    42    48    58.35000  112.70000
   38    61    52    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    47    52    65.00000  116.34900
   42    47    54    70.00000  124.00000
   42    48    49    37.50000  110.70000
   42    48    57    58.35000  112.70000
   42    48    60    50.00000  109.50000
   47    42    43    35.00000  109.50000
   47    52    53    80.00000  123.72100
   47    52    61    90.00000  111.29400
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    42    50.00000  109.50000
   61    52    53    83.00000  123.40000
   54    47    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   48    42    43    37.50000  110.70000
   48    42    47    70.00000  112.02700
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    62    70.00000  112.02700
   48    60    63    83.00000  116.90000
   57    48    49    37.50000  110.70000
   57    62    65    70.00000  124.00000
   57    62    67    65.00000  117.92700
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    65    66    35.00000  120.00000
   62    65    72    70.00000  124.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    81    70.00000  112.02700
   72    65    66    35.00000  117.00000
   72    81    82    37.50000  110.70000
   72    81    83    37.50000  110.70000
   72    81    40    58.35000  112.70000
   74    72    73    33.00000  107.80000
   81    72    73    37.50000  110.70000
   81    72    74    37.50000  110.70000
   81    40    41    50.00000  109.50000
   81    40    44    58.35000  112.70000
   83    81    82    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    50.00000  109.50000
   44    40    41    50.00000  109.50000
   44    50    51    55.00000  108.50000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   67    62    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    48    49    35.00000  109.50000
   60    48    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    71    90.00000  111.29400
   63    71    75    65.00000  118.96000
   63    71    77    65.00000  116.34900
   71    63    64    80.00000  123.72100
   71    75    76    35.00000  120.00000
   71    75    84    70.00000  124.00000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   75    84    85    35.00000  109.50000
   75    84    86    35.00000  109.50000
   75    84    87    90.00000  110.39200
   84    75    76    35.00000  117.00000
   84    87    88    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   77    71    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   33    38    61    52  -0.25900  1.0 1.0
   33    38    61    52  -0.47000 -1.0 2.0
   33    38    61    52   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    50   0.86500  1.0 1.0
   33    40    44    50  -0.17500 -1.0 2.0
   33    40    44    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    81   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    81   0.56750  1.0 1.0
   38    33    40    81  -0.07550 -1.0 2.0
   38    33    40    81   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -47    52   0.09700  1.0 1.0
   38    42   -47    52   0.15600 -1.0 2.0
   38    42   -47    52  -0.50800  1.0 3.0
   38    42    47    54   0.09850  1.0 1.0
   38    42    47    54   0.15250 -1.0 2.0
   38    42    47    54  -0.50650  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    57   0.56750  1.0 1.0
   38    42    48    57  -0.07550 -1.0 2.0
   38    42    48    57   0.20000  1.0 3.0
   38    42    48    60   0.62750  1.0 1.0
   38    42    48    60  -0.30950 -1.0 2.0
   38    42    48    60   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    61    52   0.08050  1.0 3.0
   42    38   -61    52  -0.25900  1.0 1.0
   42    38   -61    52  -0.47000 -1.0 2.0
   42    38   -61    52   0.11750  1.0 3.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47   -52    61  -0.15000  1.0 1.0
   42    47   -52    61   0.89550 -1.0 2.0
   42    47   -52    61  -0.06900  1.0 3.0
   42    47    54    55   7.00000 -1.0 2.0
   42    47    54    56   7.00000 -1.0 2.0
   42    48    57    58   0.15000  1.0 3.0
   42    48    57    59   0.15000  1.0 3.0
   42    48    57    62   0.34400  1.0 1.0
   42    48    57    62   0.09450 -1.0 2.0
   42    48    57    62   0.11100  1.0 3.0
   42    48    60    63  -0.25900  1.0 1.0
   42    48    60    63  -0.47000 -1.0 2.0
   42    48    60    63   0.11750  1.0 3.0
   43    42    47    52   0.15000  1.0 3.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    57   0.15000  1.0 3.0
   43    42    48    60   0.23400  1.0 3.0
   47    42    48    49   0.15000  1.0 3.0
   47    42    48    57   0.34400  1.0 1.0
   47    42    48    57   0.09450 -1.0 2.0
   47    42    48    57   0.11100  1.0 3.0
   47    42    48    60   0.61850  1.0 1.0
   47    42    48    60  -0.22750 -1.0 2.0
   47    42    48    60   0.15300  1.0 3.0
   47    52   -61    38   2.00000 -1.0 2.0
   52    47    54    55   7.00000 -1.0 2.0
   52    47    54    56   7.00000 -1.0 2.0
   53    52    61    38   3.00000 -1.0 2.0
   61    38    42    43   0.23400  1.0 3.0
   61    38   -42    47   0.61850  1.0 1.0
   61    38   -42    47  -0.22750 -1.0 2.0
   61    38   -42    47   0.15300  1.0 3.0
   61    38    42    48   0.62750  1.0 1.0
   61    38    42    48  -0.30950 -1.0 2.0
   61    38    42    48   0.27300  1.0 3.0
   54    47    52    53   1.00000 -1.0 2.0
   54    47    52    61  -0.56150  1.0 1.0
   54    47    52    61   2.19150 -1.0 2.0
   48    42    47    52   0.09700  1.0 1.0
   48    42    47    52   0.15600 -1.0 2.0
   48    42    47    52  -0.50800  1.0 3.0
   48    42    47    54   0.09850  1.0 1.0
   48    42    47    54   0.15250 -1.0 2.0
   48    42    47    54  -0.50650  1.0 3.0
   48    57    62    65   0.09850  1.0 1.0
   48    57    62    65   0.15250 -1.0 2.0
   48    57    62    65  -0.50650  1.0 3.0
   48    57    62    67   0.46850  1.0 1.0
   48    57    62    67   0.08550 -1.0 2.0
   48    57    62    67   0.09800  1.0 3.0
   48    60    63    64   3.00000 -1.0 2.0
   48    60    63    71   2.00000 -1.0 2.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    62   0.15000  1.0 3.0
   49    48    60    63   0.08050  1.0 3.0
   57    48    60    63  -0.25900  1.0 1.0
   57    48    60    63  -0.47000 -1.0 2.0
   57    48    60    63   0.11750  1.0 3.0
   57    62    65    66   7.00000 -1.0 2.0
   57    62    65    72   7.00000 -1.0 2.0
   57    62    67    68   0.34800  1.0 3.0
   57    62    67    69   0.34800  1.0 3.0
   57    62    67    70   0.34800  1.0 3.0
   58    57    62    65   0.00000  1.0 1.0
   58    57    62    67   0.34800  1.0 3.0
   59    57    62    65   0.00000  1.0 1.0
   59    57    62    67   0.34800  1.0 3.0
   62    65    72    73   0.00000  1.0 1.0
   62    65    72    74   0.00000  1.0 1.0
   62    65    72    81   0.09850  1.0 1.0
   62    65    72    81   0.15250 -1.0 2.0
   62    65    72    81  -0.50650  1.0 3.0
   65    62    67    68   0.00000  1.0 1.0
   65    62    67    69   0.00000  1.0 1.0
   65    62    67    70   0.00000  1.0 1.0
   65    72    81    82   0.15000  1.0 3.0
   65    72    81    83   0.15000  1.0 3.0
   65    72    81    40   0.34400  1.0 1.0
   65    72    81    40   0.09450 -1.0 2.0
   65    72    81    40   0.11100  1.0 3.0
   66    65    72    73   0.33100  1.0 3.0
   66    65    72    74   0.33100  1.0 3.0
   66    65    72    81   0.00000  1.0 1.0
   72    81    40    33   0.56750  1.0 1.0
   72    81    40    33  -0.07550 -1.0 2.0
   72    81    40    33   0.20000  1.0 3.0
   72    81    40    41   0.62750  1.0 1.0
   72    81    40    41  -0.30950 -1.0 2.0
   72    81    40    41   0.27300  1.0 3.0
   72    81    40    44   0.56750  1.0 1.0
   72    81    40    44  -0.07550 -1.0 2.0
   72    81    40    44   0.20000  1.0 3.0
   73    72    81    82   0.15000  1.0 3.0
   73    72    81    83   0.15000  1.0 3.0
   73    72    81    40   0.15000  1.0 3.0
   74    72    81    82   0.15000  1.0 3.0
   74    72    81    83   0.15000  1.0 3.0
   74    72    81    40   0.15000  1.0 3.0
   81    40    44    45   0.15000  1.0 3.0
   81    40    44    46   0.15000  1.0 3.0
   81    40    44    50   0.86500  1.0 1.0
   81    40    44    50  -0.17500 -1.0 2.0
   81    40    44    50   0.20800  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.23400  1.0 3.0
   82    81    40    44   0.15000  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.23400  1.0 3.0
   83    81    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    50   3.69350  1.0 1.0
   41    40    44    50  -1.82950 -1.0 2.0
   45    44    50    51   0.19450  1.0 3.0
   46    44    50    51   0.19450  1.0 3.0
   67    62    65    66   7.00000 -1.0 2.0
   67    62    65    72   7.00000 -1.0 2.0
   60    48    57    58   0.23400  1.0 3.0
   60    48    57    59   0.23400  1.0 3.0
   60    48    57    62   0.61850  1.0 1.0
   60    48    57    62  -0.22750 -1.0 2.0
   60    48    57    62   0.15300  1.0 3.0
   60    63    71    75  -0.56150  1.0 1.0
   60    63    71    75   2.19150 -1.0 2.0
   60    63    71    77  -0.15000  1.0 1.0
   60    63    71    77   0.89550 -1.0 2.0
   60    63    71    77  -0.06900  1.0 3.0
   63    71    75    76   7.00000 -1.0 2.0
   63    71    75    84   7.00000 -1.0 2.0
   63    71    77    78   0.15000  1.0 3.0
   63    71    77    79   0.15000  1.0 3.0
   63    71    77    80   0.15000  1.0 3.0
   64    63    71    75   1.00000 -1.0 2.0
   64    63    71    77  -0.64400  1.0 1.0
   64    63    71    77   0.26850 -1.0 2.0
   71    75    84    85   0.00000  1.0 1.0
   71    75    84    86   0.00000  1.0 1.0
   71    75    84    87   0.67800  1.0 1.0
   71    75    84    87   0.47050 -1.0 2.0
   71    75    84    87  -0.62500  1.0 3.0
   75    71    77    78   0.00000  1.0 1.0
   75    71    77    79   0.00000  1.0 1.0
   75    71    77    80   0.00000  1.0 1.0
   75    84    87    88  -0.07800  1.0 1.0
   75    84    87    88  -0.21500 -1.0 2.0
   75    84    87    88  -0.03150  1.0 3.0
   76    75    84    85   0.33100  1.0 3.0
   76    75    84    86   0.33100  1.0 3.0
   76    75    84    87   0.00000  1.0 1.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   77    71    75    76   7.00000 -1.0 2.0
   77    71    75    84   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    52    47    54   1.10000 -1.0 2.0
   47    61    52    53  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
   57    67    62    65   1.10000 -1.0 2.0
   72    66    65    62   1.10000 -1.0 2.0
   60    71    63    64  10.50000 -1.0 2.0
   63    77    71    75  15.00000 -1.0 2.0
   84    76    75    71  15.00000 -1.0 2.0
END
