* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    157    242     470
    1     0 S   NP   _N1_     1    30.71721   100.09427   -23.94183
    2     1 S   H    _HN1     2     1.02846    57.05939   -65.80793
    3     1 S   H    _H1_     3     1.02743    67.84036   163.87931
    4     1 S   H    _H2_     4     1.03476   159.06897  -114.64927
    5     1 S   CT   _CA1     5     1.50152    88.36338    50.38759
    6     5 S   HC   _HA1     6     1.09536   104.84946   123.93589
    7     5 S   CO3  _C1_     7     1.53704   113.37273     3.37574
    8     7 S   O2Z  _O11     8     1.26427   115.08027   -28.73298
    9     7 S   O2Z  _O12     9     1.26229   115.10549   150.70537
   10     5 S   CT   _CB1    10     1.53000   107.38474  -117.48153
   11    10 S   HC   HB11    11     1.09498   109.53436   -37.41830
   12    10 S   HC   HB12    12     1.09840   110.50226    78.19647
   13    10 S   CT   _CG1    13     1.53190   113.01156  -159.83595
   14    13 S   HC   HG11    14     1.09538   110.97590   -91.36919
   15    13 S   HC   HG12    15     1.09573   111.44699    27.93780
   16    13 S   C    _CD1    16     1.51548   109.24266   148.57557
   17    16 S   O    _OE1    17     1.22822   121.79018    86.08800
   18    16 S   N    _N2_    18     1.38573   112.61895   -90.63231
   19    18 S   H    _HN2    19     1.01674   119.15234    -6.06404
   20    18 S   CT1  _CA2    20     1.46183   123.53836   173.36860
   21    20 S   HC   _HA2    21     1.09696   109.19726    -5.09293
   22    20 S   C    _C2_    22     1.53862   109.69136  -121.23260
   23    22 S   O    _O2_    23     1.23123   121.75074  -162.63258
   24    20 S   CT   _CB2    32     1.53461   111.55352   117.11707
   25    24 S   HC   HB21    33     1.09301   109.09084    60.30403
   26    24 S   HC   HB22    34     1.09516   110.30225   178.02553
   27    22 S   N    _N3_    24     1.38205   114.44857    23.04682
   28    27 S   H    _HN3    25     1.01404   119.07668    -2.60384
   29    24 S   S    _SG2    35     1.83080   111.77951   -62.59900
   30    27 S   CT   _CA3    26     1.45309   123.46704   178.48315
   31    30 S   HC   HA31    27     1.09557   107.30583   -66.55437
   32    30 S   HC   HA32    28     1.09557   108.07265    49.74099
   33    29 S   CT   _C5_    36     1.87916   101.81806   147.31256
   34    30 S   CO3  _C3_    29     1.53059   114.40957   171.70145
   35    34 S   O2Z  _O31    30     1.26434   116.36748    -7.50514
   36    34 S   O2Z  _O32    31     1.26420   114.42741   172.57638
   37    33 S   CM   _C10    37     1.55624   112.72186   -57.23075
   38    33 S   CT   _C4_    81     1.54366   104.93478  -176.38724
   39    38 S   HC   _H9_    82     1.09701   111.66314   -61.08809
   40    38 S   HC   _H10    83     1.09434   112.00764   179.25691
   41    38 S   HC   _H11    84     1.09703   112.00035    59.69390
   42    37 S   CT   _C9_    38     1.55830   115.71260   141.58930
   43    37 S   CMA  _C11    78     1.36326   120.66818   -40.08568
   44    43 S   OM   _O33    79     1.25924   134.67611   176.85546
   45    43 S   HC   _H16    80     1.09010   112.70119    -2.99251
   46    42 S   CT   _C8_    39     1.54854   109.50188    29.98793
   47    46 S   HC   _H14    40     1.09964   110.15821   179.44327
   48    46 S   HC   _H15    41     1.09927   109.31282    65.77399
   49    42 S   CT   _C12    70     1.54228   110.42705   -92.33725
   50    49 S   HC   _H17    71     1.09637   110.87148   178.69974
   51    49 S   HC   _H18    72     1.09220   113.15729    58.39647
   52    49 S   HC   _H19    73     1.09637   111.07055   -61.98063
   53    42 S   CT   _C13    74     1.55320   114.12372   147.18007
   54    53 S   HC   _H20    75     1.09726   110.98598  -168.78016
   55    53 S   HC   _H21    76     1.09452   112.49796    72.98521
   56    53 S   HC   _H22    77     1.09618   111.45549   -49.37538
   57    46 S   CT   _C7_    42     1.52806   115.64152   -58.58084
   58    57 S   HC   _H3_    43     1.09808   108.24163   -90.10418
   59    33 S   CT   _C6_    44     1.54598   105.45852    67.37746
   60    59 S   HC   _H12    45     1.09792   109.62206    60.43717
   61    59 S   HC   _H13    46     1.09600   109.85293   -55.14622
   62    57 S   OS1  _O34    47     1.43364   106.97728   152.56237
   63    62 S   CO1  _C14    48     1.43326   113.81131   150.72984
   64    63 S   HC   _H4_    49     1.09736   109.27874    46.04915
   65    63 S   CT   _C15    50     1.53325   107.29039   165.50896
   66    65 S   HC   _H5_    51     1.09681   110.01275    52.21556
   67    65 S   CT   _C16    52     1.53068   111.19838   174.17897
   68    67 S   HC   _H6_    53     1.09668   110.24222    73.61751
   69    65 S   OH5  _O39    68     1.42959   109.94067   -64.50064
   70    69 S   HO   _H28    69     0.97223   108.23763   -59.90754
   71    67 S   CT   _C17    54     1.53188   111.31894   -49.05668
   72    71 S   HC   _H7_    55     1.09704   109.06273   -71.36049
   73    67 S   OH5  _O38    66     1.42939   109.64458  -170.49962
   74    73 S   HO   _H27    67     0.97242   108.14688    60.67419
   75    71 S   CT   _C18    56     1.53247   110.66871    49.87591
   76    75 S   HC   _H8_    57     1.09835   110.92819    64.12846
   77    71 S   OH5  _O37    64     1.42596   109.68730   171.79525
   78    77 S   HO   _H26    65     0.97253   108.22650   -57.77742
   79    63 S   OS1  _O35    58     1.42891   110.31829   -74.79833
   80    75 S   CT   _C19    59     1.52982   111.53911  -175.08398
   81    80 S   HC   _H23    60     1.09501   111.01084    69.55410
   82    80 S   HC   _H24    61     1.09396   111.56737   -52.86868
   83    80 S   OH5  _O36    62     1.42510   109.02994  -171.79508
   84    83 S   HO   _H25    63     0.97247   107.00335  -178.37153
  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  23   9   3   2   1  18   6   1   1  17   7   6
   8   3   2   1   4   2   1   1   9   5   4   2   1   8  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    57    59    60    61    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    57    58    59    60    61    62    49    53    43    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    46    47    48    57    59    60    61    49    50    51    52    53    54    55    56    43    44    45    38    39    40    41  
   39    40    41    42    43    57    59    60    61  
   40    41    59  
   41    59  
   59  
   46    47    48    57    58    59    62    49    50    51    52    53    54    55    56    43    44    45  
   44    45    46    49    53    59  
   45  
    0  
   47    48    57    58    59    60    61    62    63    49    50    51    52    53    54    55    56  
   48    57    58    59    62    49    53  
   57    58    59    62    49    53  
   50    51    52    53    54    55    56    57  
   51    52    53  
   52    53  
   53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    79  
   59    60    61    62    63  
   60    61    62    63  
   61    62  
   62  
   63    64    65    66    67    75    79    69  
   64    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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    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    59   268.000  1.529
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    43   465.000  1.376
   42    46   268.000  1.529
   42    49   268.000  1.529
   42    53   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   335.000  1.422
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   370.000  1.399
   63    64   360.000  1.097
   63    65   255.000  1.525
   63    79   370.000  1.399
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   745.000  1.250
   43    45   335.000  1.111
   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    59    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    43    70.00000  124.00000
   33    59    57    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    70.00000  112.02700
   37    42    49    70.00000  112.02700
   37    42    53    70.00000  112.02700
   37    43    44    65.00000  137.10300
   37    43    45    45.00000  105.30000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    57    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   42    53    54    37.50000  110.70000
   42    53    55    37.50000  110.70000
   42    53    56    37.50000  110.70000
   46    57    58    37.50000  110.70000
   46    57    59    58.35000  112.70000
   46    57    62    95.00000  107.88500
   48    46    47    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    48    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    62    63    90.00000  112.10700
   59    33    37    70.00000  112.02700
   59    57    58    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    57    58    55.00000  108.98800
   62    57    59    95.00000  107.88500
   62    63    64    60.00000  105.75400
   62    63    65    90.00000  109.70700
   62    63    79   110.00000  113.16000
   63    65    66    45.00000  109.54000
   63    65    67    70.00000  111.10000
   63    65    69    90.00000  109.42000
   63    79    75    90.00000  112.10700
   65    63    64    45.00000  111.65000
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    90.00000  111.45300
   65    69    70    65.00000  108.53500
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    63    64    60.00000  105.75400
   79    63    65    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    65    66    60.00000  109.39000
   69    65    67    90.00000  111.45300
   49    42    46    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    42    46    58.35000  112.70000
   53    42    49    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    37    42    70.00000  124.00000
   45    43    44    50.00000  124.16400
   38    33    37    70.00000  112.02700
   38    33    59    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    59    57   0.44750  1.0 1.0
   29    33    59    57  -0.17800 -1.0 2.0
   29    33    59    57   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  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    46   0.46850  1.0 1.0
   33    37    42    46   0.08550 -1.0 2.0
   33    37    42    46   0.09800  1.0 3.0
   33    37    42    49   0.46850  1.0 1.0
   33    37    42    49   0.08550 -1.0 2.0
   33    37    42    49   0.09800  1.0 3.0
   33    37    42    53   0.46850  1.0 1.0
   33    37    42    53   0.08550 -1.0 2.0
   33    37    42    53   0.09800  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    59    57   0.34400  1.0 1.0
   37    33    59    57   0.09450 -1.0 2.0
   37    33    59    57   0.11100  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  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    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42   -46    57   0.34400  1.0 1.0
   37    42   -46    57   0.09450 -1.0 2.0
   37    42   -46    57   0.11100  1.0 3.0
   37    42    49    50   0.15000  1.0 3.0
   37    42    49    51   0.15000  1.0 3.0
   37    42    49    52   0.15000  1.0 3.0
   37    42    53    54   0.15000  1.0 3.0
   37    42    53    55   0.15000  1.0 3.0
   37    42    53    56   0.15000  1.0 3.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    45   7.00000 -1.0 2.0
   42    46    57    58   0.15000  1.0 3.0
   42    46    57    59   0.56750  1.0 1.0
   42    46    57    59  -0.07550 -1.0 2.0
   42    46    57    59   0.20000  1.0 3.0
   42    46    57    62   0.62750  1.0 1.0
   42    46    57    62  -0.30950 -1.0 2.0
   42    46    57    62   0.27300  1.0 3.0
   46    42    49    50   0.15000  1.0 3.0
   46    42    49    51   0.15000  1.0 3.0
   46    42    49    52   0.15000  1.0 3.0
   46    42    53    54   0.15000  1.0 3.0
   46    42    53    55   0.15000  1.0 3.0
   46    42    53    56   0.15000  1.0 3.0
   46    57   -59    33   0.56750  1.0 1.0
   46    57   -59    33  -0.07550 -1.0 2.0
   46    57   -59    33   0.20000  1.0 3.0
   46    57    59    60   0.15000  1.0 3.0
   46    57    59    61   0.15000  1.0 3.0
   46    57    62    63   0.06250  1.0 1.0
   46    57    62    63  -0.01100 -1.0 2.0
   46    57    62    63   0.28050  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    62   0.23400  1.0 3.0
   48    46    57    58   0.15000  1.0 3.0
   48    46    57    59   0.15000  1.0 3.0
   48    46    57    62   0.23400  1.0 3.0
   57    62    63    64   0.37050  1.0 3.0
   57    62    63    65   0.06250  1.0 1.0
   57    62    63    65  -0.01100 -1.0 2.0
   57    62    63    65   0.28050  1.0 3.0
   57    62    63    79  -0.12700  1.0 1.0
   57    62    63    79  -1.16200 -1.0 2.0
   57    62    63    79   0.58800  1.0 3.0
   58    57    59    33   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    62    63   0.37050  1.0 3.0
   59    33   -37    42   0.46850  1.0 1.0
   59    33   -37    42   0.08550 -1.0 2.0
   59    33   -37    42   0.09800  1.0 3.0
   59    33    37    43   0.09850  1.0 1.0
   59    33    37    43   0.15250 -1.0 2.0
   59    33    37    43  -0.50650  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33    38    40   0.15000  1.0 3.0
   59    33    38    41   0.15000  1.0 3.0
   59    57    62    63   0.06250  1.0 1.0
   59    57    62    63  -0.01100 -1.0 2.0
   59    57    62    63   0.28050  1.0 3.0
   62    57    59    33   0.62750  1.0 1.0
   62    57    59    33  -0.30950 -1.0 2.0
   62    57    59    33   0.27300  1.0 3.0
   62    57    59    60   0.23400  1.0 3.0
   62    57    59    61   0.23400  1.0 3.0
   62    63    65    66   0.23400  1.0 3.0
   62    63    65    67   0.62750  1.0 1.0
   62    63    65    67  -0.30950 -1.0 2.0
   62    63    65    67   0.27300  1.0 3.0
   62    63    65    69   1.51850  1.0 1.0
   62    63    79    75  -0.70400  1.0 1.0
   62    63    79    75  -0.90350 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    67    73  -0.47750  1.0 1.0
   63    65    69    70   0.29150  1.0 1.0
   63    65    69    70  -0.28350 -1.0 2.0
   63    65    69    70   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.23400  1.0 3.0
   64    63    79    75   0.37050  1.0 3.0
   65    63    79    75   0.06250  1.0 1.0
   65    63    79    75  -0.01100 -1.0 2.0
   65    63    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77  -0.47750  1.0 1.0
   65    67    73    74   0.29150  1.0 1.0
   65    67    73    74  -0.28350 -1.0 2.0
   65    67    73    74   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70   0.29150  1.0 1.0
   67    65    69    70  -0.28350 -1.0 2.0
   67    65    69    70   0.43600  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75   -79    63   0.06250  1.0 1.0
   71    75   -79    63  -0.01100 -1.0 2.0
   71    75   -79    63   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    63   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    63    65    66   0.23400  1.0 3.0
   79    63   -65    67   0.62750  1.0 1.0
   79    63   -65    67  -0.30950 -1.0 2.0
   79    63   -65    67   0.27300  1.0 3.0
   79    63    65    69   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    63   0.06250  1.0 1.0
   80    75    79    63  -0.01100 -1.0 2.0
   80    75    79    63   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71  -0.47750  1.0 1.0
   69    65    67    73   3.77950  1.0 1.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    57   0.56750  1.0 1.0
   49    42    46    57  -0.07550 -1.0 2.0
   49    42    46    57   0.20000  1.0 3.0
   49    42    53    54   0.15000  1.0 3.0
   49    42    53    55   0.15000  1.0 3.0
   49    42    53    56   0.15000  1.0 3.0
   53    42    46    47   0.15000  1.0 3.0
   53    42    46    48   0.15000  1.0 3.0
   53    42    46    57   0.56750  1.0 1.0
   53    42    46    57  -0.07550 -1.0 2.0
   53    42    46    57   0.20000  1.0 3.0
   53    42    49    50   0.15000  1.0 3.0
   53    42    49    51   0.15000  1.0 3.0
   53    42    49    52   0.15000  1.0 3.0
   43    37    42    46   0.09850  1.0 1.0
   43    37    42    46   0.15250 -1.0 2.0
   43    37    42    46  -0.50650  1.0 3.0
   43    37    42    49   0.09850  1.0 1.0
   43    37    42    49   0.15250 -1.0 2.0
   43    37    42    49  -0.50650  1.0 3.0
   43    37    42    53   0.09850  1.0 1.0
   43    37    42    53   0.15250 -1.0 2.0
   43    37    42    53  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    59    57   0.56750  1.0 1.0
   38    33    59    57  -0.07550 -1.0 2.0
   38    33    59    57   0.20000  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   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
   33    42    37    43   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
