* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    249     480
    1     0 S   NP   _N1_     1    28.06155    98.05386   -21.70392
    2     1 S   H    _HN1     2     1.02773   104.09397  -124.27504
    3     1 S   H    _H1_     3     1.02951    68.38508   -19.83031
    4     1 S   H    _H2_     4     1.02830    42.51071   134.47592
    5     1 S   CT   _CA1     5     1.50173   141.34605    76.16206
    6     5 S   HC   _HA1     6     1.09573   105.19198    97.32008
    7     5 S   CO3  _C1_     7     1.53801   112.10360   -22.83715
    8     7 S   O2Z  _O11     8     1.26383   114.99246   -47.64414
    9     7 S   O2Z  _O12     9     1.26212   114.94205   131.05064
   10     5 S   CT   _CB1    10     1.53068   107.35847  -144.81662
   11    10 S   HC   HB11    11     1.09835   109.42063   -49.40732
   12    10 S   HC   HB12    12     1.09811   110.44302    67.16518
   13    10 S   CT   _CG1    13     1.53025   112.64736  -170.35435
   14    13 S   HC   HG11    14     1.09590   110.59383   -64.14416
   15    13 S   HC   HG12    15     1.09655   109.86830    55.08061
   16    13 S   C    _CD1    16     1.51849   112.06895   175.55970
   17    16 S   O    _OE1    17     1.22796   123.27156     5.94620
   18    16 S   N    _N2_    18     1.38429   111.89553  -174.27789
   19    18 S   H    _HN2    19     1.01795   119.39923    -0.25641
   20    18 S   CT1  _CA2    20     1.45784   122.85109  -179.33002
   21    20 S   HC   _HA2    21     1.09761   108.46840    33.84472
   22    20 S   C    _C2_    22     1.53002   108.00031   -83.41616
   23    22 S   O    _O2_    23     1.22942   123.30516   -24.47741
   24    20 S   CT   _CB2    32     1.53243   111.89540   156.74410
   25    24 S   HC   HB21    33     1.09266   109.66090    57.84660
   26    24 S   HC   HB22    34     1.09362   110.07084   175.37120
   27    22 S   N    _N3_    24     1.38598   112.32449   158.13817
   28    27 S   H    _HN3    25     1.01648   120.27344    -2.51170
   29    24 S   S    _SG2    35     1.82950   110.67455   -65.68005
   30    27 S   CT   _CA3    26     1.45315   122.57605   178.33282
   31    30 S   HC   HA31    27     1.09566   107.85370   -54.38079
   32    30 S   HC   HA32    28     1.09556   107.58650    61.97814
   33    29 S   CT   _C10    36     1.94111   102.86563   146.34959
   34    30 S   CO3  _C3_    29     1.52896   114.27243  -176.35514
   35    34 S   O2Z  _O31    30     1.26339   116.08335    -1.72692
   36    34 S   O2Z  _O32    31     1.26440   114.41675   178.26449
   37    33 S   CT   _C9_    37     1.58021   103.33224    62.88788
   38    37 S   HC   _H15    38     1.09711   109.29560   -40.49632
   39    37 S   HC   _H16    39     1.08736   107.89961  -147.85069
   40    33 S   CT   _C11    59     1.63638   110.67928   -53.43284
   41    40 S   OM   _O39    60     1.33150   109.22124   -39.86605
   42    40 S   HC   _H4_    61     1.10056   104.98710    87.74962
   43    33 S   CO   _C22    66     1.58872   106.83056  -174.64936
   44    43 S   HC   _H7_    67     1.09583   110.57870    91.98452
   45    37 S   CT   _C8_    40     1.55936   120.88359    85.17247
   46    45 S   HC   _H3_    41     1.09157   113.51737     5.57960
   47    43 S   OH   _O38    68     1.43444   111.22741   -24.84332
   48    47 S   HO   _H26    69     0.97131   106.75432   152.52432
   49    45 S   CT   _C17    42     1.55978   111.61329   130.08884
   50    49 S   HC   _H6_    43     1.10172   107.55833    53.28377
   51    45 S   OS   _O34    73     1.45781   105.46154  -114.76712
   52    49 S   CM   _C18    44     1.50017   120.79655   173.81347
   53    51 S   CO4  _C7_    74     1.36541   118.60233   104.70263
   54    53 S   O    _O33    75     1.22298   125.97809     1.28573
   55    52 S   CO4  _C20    45     1.48739   107.07999   158.46145
   56    55 S   O    _O35    46     1.21723   127.24571   163.51916
   57    52 S   CM   _C19    70     1.33506   132.73952   -18.57261
   58    57 S   HC   _H22    71     1.08134   122.20579    -1.40207
   59    57 S   HC   _H23    72     1.08587   121.37804   178.35765
   60    53 S   CT   _C5_    76     1.51985   109.32910   179.93744
   61    60 S   HC   _H11    77     1.09719   107.64607   -45.59841
   62    55 S   OS   _O36    47     1.36746   106.77188   -15.27967
   63    60 S   CT   _C4_    78     1.52343   110.30801    74.06872
   64    63 S   HC   _H8_    79     1.09555   111.24429    59.87590
   65    63 S   HC   _H9_    80     1.09507   111.04536   -59.91993
   66    63 S   HC   _H10    81     1.09486   110.88746  -179.70261
   67    60 S   CT   _C6_    82     1.52681   110.76029  -162.92921
   68    67 S   HC   _H12    83     1.09574   111.44054   -63.08931
   69    67 S   HC   _H13    84     1.09500   110.82238   176.53045
   70    67 S   HC   _H14    85     1.09553   110.81193    56.68586
   71    49 S   CT   _C16    48     1.53739   115.96894   -70.38420
   72    71 S   HC   _H5_    49     1.09654   111.24197   -54.91053
   73    71 S   CM   _C15    50     1.50022   112.83366    71.38677
   74    73 S   HC   _H21    51     1.08866   115.70504    63.50565
   75    73 S   CM   _C14    52     1.35013   123.86917  -103.40771
   76    75 S   CT   _C13    53     1.50205   120.09294   158.94174
   77    76 S   HC   _H19    54     1.09725   111.08546    -6.74503
   78    76 S   HC   _H20    55     1.09760   107.98926   109.38588
   79    75 S   CT   _C21    62     1.50090   123.10406   -13.01152
   80    79 S   HC   _H24    63     1.09393   114.28282  -170.73365
   81    79 S   HC   _H25    64     1.09696   108.50061   -54.26362
   82    76 S   CT   _C12    56     1.53814   114.58156  -129.90278
   83    82 S   HC   _H17    57     1.10382   104.59433  -176.27748
   84    82 S   HC   _H18    58     1.09916   109.13542   -65.81006
   85    79 S   OS   _O37    65     1.41364   110.00988    62.84844
  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  13   5   4   3
  20   2   1   1  18   7   6  14   6   5  10   4  14   6   3   1
  15   8   8   9  11   4   8   3   4   1   1   9   8   5   7   3
   2   1   3   2   1   1   6   3  10   3  10   9   5   4   4   2
   1   2   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    82    40    41    42    85    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    49    76    82    83    84    40    41    42    79    85    43    44    47    48    51  
   35    36  
   36  
    0  
   38    39    45    46    49    50    52    71    82    40    41    42    85    43    44    47    51    53  
   39    45    46    49    40    43    51  
   45    46    49    40    43    51  
   41    42    85    43    44    47    45    75    76    77    78    82    83    84  
   42    43    76    82    83    84  
   43    76    82    83    84  
   44    47    48    45    75    79    80    81    82    85  
   47    48    79    85  
   46    49    50    52    55    62    71    72    73    57    51    53    54    60  
   49    50    52    71    51    53  
   48    79    85  
   85  
   50    52    55    56    62    71    72    73    74    75    57    58    59    51    53  
   52    55    62    71    72    73    57    51  
   53    54    60    61    63    67    52    71  
   55    56    62    71    72    73    57    58    59  
   54    60    61    63    64    65    66    67    68    69    70  
   60    61    63    67  
   56    62    71    72    73    57    58    59  
   62    71    57  
   58    59    62    71  
   59  
    0  
   61    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   71    72    73    74    75  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    79  
   73    74    75  
   74    75    76    77    78    82    79    80    81    85  
   75    76    79  
   76    77    78    82    83    84    79    80    81    85  
   77    78    82    83    84    79    80    81    85  
   78    82    83    84    79  
   82    83    84    79  
   80    81    85    82  
   81    85  
   85  
   83    84  
   84  
    0  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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   268.000  1.529
   33    40   268.000  1.529
   33    43   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    71   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    62   214.000  1.327
   62    71   320.000  1.410
   71    72   340.000  1.090
   71    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    79   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   320.000  1.410
   85    43   320.000  1.380
   43    44   340.000  1.090
   43    47   380.000  1.407
   47    48   553.000  0.945
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    85    90.00000  108.56700
   33    43    44    45.00000  112.01100
   33    43    47    90.00000  110.19100
   37    45    46    37.50000  110.70000
   37    45    49    58.35000  112.70000
   37    45    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    70.00000  112.02700
   45    49    71    58.35000  112.70000
   45    51    53    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    71    62    50.00000  109.50000
   49    71    72    37.50000  110.70000
   49    71    73    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    62    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    62    71    83.00000  116.90000
   62    55    56    83.00000  123.40000
   62    71    72    35.00000  109.50000
   62    71    73    85.00000  110.90400
   71    49    50    37.50000  110.70000
   71    49    52    70.00000  112.02700
   71    73    74    35.00000  117.00000
   71    73    75    70.00000  124.00000
   73    71    72    35.00000  109.50000
   73    75    76    70.00000  124.00000
   73    75    79    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    82    70.00000  112.02700
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    85    85.00000  110.90400
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    40    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    40    41    50.00000  109.50000
   82    40    42    37.50000  110.70000
   84    82    83    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   42    40    41    45.00000  125.66300
   79    75    76    65.00000  117.92700
   79    85    43    60.00000  109.50000
   81    79    80    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    81    35.00000  109.50000
   85    43    44    35.00000  109.50000
   85    43    47   110.00000  112.08000
   43    33    37    75.00000  109.43000
   43    33    40    75.00000  109.43000
   43    47    48    70.00000  107.92000
   47    43    44    60.00000  108.02500
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    63    63.00000  111.10000
   53    60    67    63.00000  111.10000
   60    53    54    80.00000  120.40000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   63    60    61    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    82   0.44750  1.0 1.0
   29    33    40    82  -0.17800 -1.0 2.0
   29    33    40    82   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    42   0.15000  1.0 3.0
   29    33    43    85   0.56750  1.0 1.0
   29    33    43    85  -0.07550 -1.0 2.0
   29    33    43    85   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.56750  1.0 1.0
   29    33    43    47  -0.07550 -1.0 2.0
   29    33    43    47   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   33    37    45    51   0.62750  1.0 1.0
   33    37    45    51  -0.30950 -1.0 2.0
   33    37    45    51   0.27300  1.0 3.0
   33    43    47    48  -0.11600  1.0 1.0
   33    43    47    48  -0.09450 -1.0 2.0
   33    43    47    48   0.21250  1.0 3.0
   37    33    40    82   0.56750  1.0 1.0
   37    33    40    82  -0.07550 -1.0 2.0
   37    33    40    82   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    85   0.62750  1.0 1.0
   37    33    43    85  -0.30950 -1.0 2.0
   37    33    43    85   0.27300  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    47   0.86500  1.0 1.0
   37    33    43    47  -0.17500 -1.0 2.0
   37    33    43    47   0.20800  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    52   0.34400  1.0 1.0
   37    45    49    52   0.09450 -1.0 2.0
   37    45    49    52   0.11100  1.0 3.0
   37    45    49    71   0.56750  1.0 1.0
   37    45    49    71  -0.07550 -1.0 2.0
   37    45    49    71   0.20000  1.0 3.0
   37    45    51    53  -0.25900  1.0 1.0
   37    45    51    53  -0.47000 -1.0 2.0
   37    45    51    53   0.11750  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   38    37    45    51   0.23400  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    49   0.15000  1.0 3.0
   39    37    45    51   0.23400  1.0 3.0
   45    49    52    55   0.09700  1.0 1.0
   45    49    52    55   0.15600 -1.0 2.0
   45    49    52    55  -0.50800  1.0 3.0
   45    49    52    57   0.09850  1.0 1.0
   45    49    52    57   0.15250 -1.0 2.0
   45    49    52    57  -0.50650  1.0 3.0
   45    49    71    62   0.62750  1.0 1.0
   45    49    71    62  -0.30950 -1.0 2.0
   45    49    71    62   0.27300  1.0 3.0
   45    49    71    72   0.15000  1.0 3.0
   45    49    71    73   0.34400  1.0 1.0
   45    49    71    73   0.09450 -1.0 2.0
   45    49    71    73   0.11100  1.0 3.0
   45    51    53    54   3.00000 -1.0 2.0
   45    51    53    60   1.63150  1.0 1.0
   45    51    53    60   2.92000 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    71   0.15000  1.0 3.0
   46    45    51    53   0.08050  1.0 3.0
   49    45    51    53  -0.25900  1.0 1.0
   49    45    51    53  -0.47000 -1.0 2.0
   49    45    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    62  -0.15000  1.0 1.0
   49    52   -55    62   0.89550 -1.0 2.0
   49    52   -55    62  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    71    73    74   0.00000  1.0 1.0
   49    71    73    75   0.09850  1.0 1.0
   49    71    73    75   0.15250 -1.0 2.0
   49    71    73    75  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    71    62   0.23400  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    73   0.15000  1.0 3.0
   52    49   -71    62   0.61850  1.0 1.0
   52    49   -71    62  -0.22750 -1.0 2.0
   52    49   -71    62   0.15300  1.0 3.0
   52    49    71    72   0.15000  1.0 3.0
   52    49    71    73   0.31000  1.0 1.0
   52    49    71    73   0.14700 -1.0 2.0
   52    49    71    73   0.07550  1.0 3.0
   52    55   -62    71   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    62   -71    49  -0.25900  1.0 1.0
   55    62   -71    49  -0.47000 -1.0 2.0
   55    62   -71    49   0.11750  1.0 3.0
   55    62    71    72   0.08050  1.0 3.0
   55    62    71    73  -0.82050  1.0 1.0
   55    62    71    73   0.00600 -1.0 2.0
   55    62    71    73   0.04400  1.0 3.0
   56    55    62    71   3.00000 -1.0 2.0
   62    71    73    74   0.00000  1.0 1.0
   62    71    73    75   0.39000  1.0 1.0
   62    71    73    75  -0.05800 -1.0 2.0
   62    71    73    75  -0.55150  1.0 3.0
   71    49   -52    55   0.09700  1.0 1.0
   71    49   -52    55   0.15600 -1.0 2.0
   71    49   -52    55  -0.50800  1.0 3.0
   71    49    52    57   0.09850  1.0 1.0
   71    49    52    57   0.15250 -1.0 2.0
   71    49    52    57  -0.50650  1.0 3.0
   71    73    75    76   7.00000 -1.0 2.0
   71    73    75    79   7.00000 -1.0 2.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.00000  1.0 1.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    78   0.00000  1.0 1.0
   73    75    76    82   0.09850  1.0 1.0
   73    75    76    82   0.15250 -1.0 2.0
   73    75    76    82  -0.50650  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    85   0.39000  1.0 1.0
   73    75    79    85  -0.05800 -1.0 2.0
   73    75    79    85  -0.55150  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    79   7.00000 -1.0 2.0
   75    76    82    83   0.15000  1.0 3.0
   75    76    82    84   0.15000  1.0 3.0
   75    76    82    40   0.34400  1.0 1.0
   75    76    82    40   0.09450 -1.0 2.0
   75    76    82    40   0.11100  1.0 3.0
   75    79    85    43  -0.77900  1.0 1.0
   75    79    85    43  -0.36900 -1.0 2.0
   75    79    85    43   0.40400  1.0 3.0
   76    75    79    80   0.34800  1.0 3.0
   76    75    79    81   0.34800  1.0 3.0
   76    75    79    85   0.09700  1.0 1.0
   76    75    79    85   0.15600 -1.0 2.0
   76    75    79    85  -0.50800  1.0 3.0
   76    82    40    33   0.56750  1.0 1.0
   76    82    40    33  -0.07550 -1.0 2.0
   76    82    40    33   0.20000  1.0 3.0
   76    82    40    41   0.62750  1.0 1.0
   76    82    40    41  -0.30950 -1.0 2.0
   76    82    40    41   0.27300  1.0 3.0
   76    82    40    42   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    40   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    40   0.15000  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.23400  1.0 3.0
   83    82    40    42   0.15000  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    41   0.23400  1.0 3.0
   84    82    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    43    85   0.62750  1.0 1.0
   40    33    43    85  -0.30950 -1.0 2.0
   40    33    43    85   0.27300  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    47   0.86500  1.0 1.0
   40    33    43    47  -0.17500 -1.0 2.0
   40    33    43    47   0.20800  1.0 3.0
   79    75    76    77   0.34800  1.0 3.0
   79    75    76    78   0.34800  1.0 3.0
   79    75    76    82   0.46850  1.0 1.0
   79    75    76    82   0.08550 -1.0 2.0
   79    75    76    82   0.09800  1.0 3.0
   79    85    43    33   0.06250  1.0 1.0
   79    85    43    33  -0.01100 -1.0 2.0
   79    85    43    33   0.28050  1.0 3.0
   79    85    43    44   0.37050  1.0 3.0
   79    85    43    47  -0.70900  1.0 1.0
   79    85    43    47  -1.18000 -1.0 2.0
   79    85    43    47   0.91650  1.0 3.0
   80    79    85    43   0.37050  1.0 3.0
   81    79    85    43   0.37050  1.0 3.0
   85    43    47    48  -0.50000  1.0 1.0
   85    43    47    48  -0.73950 -1.0 2.0
   85    43    47    48   0.17150  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    45   3.97050  1.0 1.0
   43    33    40    82   3.97050  1.0 1.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    62  -0.56150  1.0 1.0
   57    52    55    62   2.19150 -1.0 2.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    52   0.61850  1.0 1.0
   51    45    49    52  -0.22750 -1.0 2.0
   51    45    49    52   0.15300  1.0 3.0
   51    45    49    71   0.62750  1.0 1.0
   51    45    49    71  -0.30950 -1.0 2.0
   51    45    49    71   0.27300  1.0 3.0
   51    53    60    61   0.00000  1.0 1.0
   51    53    60    63   0.36750  1.0 3.0
   51    53    60    67   0.36750  1.0 3.0
   53    60    63    64  -0.11250  1.0 3.0
   53    60    63    65  -0.11250  1.0 3.0
   53    60    63    66  -0.11250  1.0 3.0
   53    60    67    68  -0.11250  1.0 3.0
   53    60    67    69  -0.11250  1.0 3.0
   53    60    67    70  -0.11250  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    63   0.30150 -1.0 2.0
   54    53    60    67   0.30150 -1.0 2.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    62    55    56  10.50000 -1.0 2.0
   71    74    73    75   1.10000 -1.0 2.0
   76    79    75    73   1.10000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
END
