* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    157    245     465
    1     0 S   NP   _N1_     1    28.82569    95.36221   -20.78682
    2     1 S   H    _HN1     2     1.02945    85.00461    26.87534
    3     1 S   H    _H1_     3     1.02837    37.14183   154.27329
    4     1 S   H    _H2_     4     1.02787    87.72550   -81.68103
    5     1 S   CT   _CA1     5     1.50123   147.79116   148.26888
    6     5 S   HC   _HA1     6     1.09594   105.17627    63.39403
    7     5 S   CO3  _C1_     7     1.53737   112.03514   -56.50430
    8     7 S   O2Z  _O11     8     1.26341   115.12237   -54.11384
    9     7 S   O2Z  _O12     9     1.26242   114.82805   124.69201
   10     5 S   CT   _CB1    10     1.53061   107.34704  -179.13952
   11    10 S   HC   HB11    11     1.09831   109.12597   -52.30038
   12    10 S   HC   HB12    12     1.09813   110.60753    64.17800
   13    10 S   CT   _CG1    13     1.53010   112.66306  -173.40109
   14    13 S   HC   HG11    14     1.09618   110.43428   -66.04261
   15    13 S   HC   HG12    15     1.09658   109.99798    53.20044
   16    13 S   C    _CD1    16     1.51853   112.13372   173.34843
   17    16 S   O    _OE1    17     1.22749   123.23412    -0.69998
   18    16 S   N    _N2_    18     1.38612   111.75521   179.58129
   19    18 S   H    _HN2    19     1.01594   119.02574     0.48779
   20    18 S   CT1  _CA2    20     1.46314   123.33410   179.12777
   21    20 S   HC   _HA2    21     1.09742   109.35390    -8.00494
   22    20 S   C    _C2_    22     1.53407   108.42741  -123.48519
   23    22 S   O    _O2_    23     1.23038   122.37387  -148.09698
   24    20 S   CT   _CB2    32     1.53560   111.55952   114.05596
   25    24 S   HC   HB21    33     1.09390   108.93943    56.10405
   26    24 S   HC   HB22    34     1.09361   110.08688   174.89477
   27    22 S   N    _N3_    24     1.38367   113.49266    39.43861
   28    27 S   H    _HN3    25     1.01639   119.48128    -3.67850
   29    24 S   S    _SG2    35     1.82840   110.74521   -64.76597
   30    27 S   CT   _CA3    26     1.45279   123.12525   176.95200
   31    30 S   HC   HA31    27     1.09551   107.55167   -63.32685
   32    30 S   HC   HA32    28     1.09558   107.91423    53.06957
   33    29 S   CT   _C15    36     1.85972   103.08521   178.33153
   34    30 S   CO3  _C3_    29     1.52930   114.15379   175.05958
   35    34 S   O2Z  _O31    30     1.26362   116.07259     0.04423
   36    34 S   O2Z  _O32    31     1.26432   114.40501  -179.90513
   37    33 S   CT   _C14    37     1.53811   114.11531   -39.63930
   38    37 S   HC   _H5_    38     1.09492   112.86370    68.64614
   39    33 S   CT   _C16    77     1.56506   103.29010    79.33552
   40    39 S   HC   _H16    78     1.09649   110.74212   -59.02177
   41    39 S   HC   _H17    79     1.09030   113.41902  -176.44488
   42    37 S   CT   _C13    39     1.53870   104.52278  -172.44628
   43    42 S   HC   _H14    40     1.09449   111.68788   149.89915
   44    42 S   HC   _H15    41     1.09576   110.42976   -90.59794
   45    37 S   OS   _O34    57     1.43062   110.42199   -51.42340
   46    39 S   OH   _O33    80     1.42279   112.70943    61.54656
   47    46 S   HO   _H18    81     0.97228   107.21849  -177.91418
   48    42 S   CT   _C12    42     1.54482   105.00217    29.10056
   49    48 S   HC   _H4_    43     1.08772   110.36340   126.51894
   50    33 S   CT   _C11    44     1.60648   116.38639  -151.57613
   51    48 S   OS   _O35    70     1.44346   110.57174  -116.00408
   52    50 S   CT   _C8_    45     1.63668   113.17663    57.83847
   53    50 S   CT   _C19    66     1.53776   113.22636   -69.41243
   54    53 S   HC   _H22    67     1.09403   111.55200    61.67646
   55    53 S   HC   _H23    68     1.09283   112.72525   -58.83439
   56    53 S   HC   _H24    69     1.09333   111.65466  -177.46048
   57    51 S   CO4  _C17    71     1.36306   117.31991   -77.44463
   58    57 S   O    _O36    72     1.22305   126.36587     0.54715
   59    52 S   CT   _C9_    46     1.56343   113.96700   -76.35613
   60    59 S   HC   _H10    47     1.08257   112.09601    53.29472
   61    59 S   HC   _H11    48     1.09705   110.43517   -64.24485
   62    52 S   CT   _C20    62     1.57099   111.55499   166.57949
   63    62 S   HC   _H25    63     1.09133   113.59568   -63.29295
   64    62 S   HC   _H26    64     1.09485   112.04426   178.98625
   65    62 S   HC   _H27    65     1.09366   111.77928    59.29485
   66    57 S   CT   _C18    73     1.49819   109.44713  -179.70993
   67    66 S   HC   _H19    74     1.09293   109.79850   -61.30991
   68    66 S   HC   _H20    75     1.09375   109.37082   179.60435
   69    66 S   HC   _H21    76     1.09292   109.82662    60.56359
   70    59 S   CT   _C10    49     1.53547   115.04362   172.92124
   71    70 S   HC   _H12    50     1.09766   107.83026  -163.26188
   72    70 S   HC   _H13    51     1.09618   110.41347    81.20865
   73    70 S   CM   _C5_    52     1.50205   113.50810   -41.86379
   74    73 S   CM   _C6_    53     1.34231   122.15452    15.79566
   75    74 S   HC   _H9_    54     1.08811   119.11684  -179.47511
   76    73 S   CT   _C4_    58     1.50028   116.06997  -164.52915
   77    76 S   HC   _H6_    59     1.09474   110.31281   -57.22747
   78    76 S   HC   _H7_    60     1.09502   112.23279  -177.32651
   79    76 S   HC   _H8_    61     1.09352   110.14487    62.67496
   80    52 S   CT   _C7_    55     1.56352   109.34176    48.04709
   81    80 S   HC   _H3_    56     1.09738   108.65114    85.00058
  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
  23   2   1   1  18   8  10   4   3  11   6   5  10   2   1  14
   5  18   8  19   6   2   1   1   5   4  14   7   6   7   3   2
   1   3   2   1   1  10   4   3   8   7   3   4   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    50    52    45    53    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    48    49    50    52    59    80    45    62    53    54    55    56    51    39    40    41    46    47  
   35    36  
   36  
    0  
   38    42    43    44    48    49    50    52    74    80    81    45    53    51    39    40    41    46  
   42    43    44    48    50    80    45    39  
   40    41    46    47    42    45    48    50    52    53  
   41    46    47    50  
   46    47    50  
   43    44    48    49    50    52    80    45    53    51    57  
   44    48    49    50    45    51  
   48    49    50    45    51  
   62    48    50    52    59    73    74    75    80    81  
   47    50  
    0  
   49    50    52    59    80    62    53    54    55    56    51    57    58    66  
   50    52    53    51    57  
   52    59    60    61    70    74    80    81    62    63    64    65    53    54    55    56    51    57  
   57    58    66    67    68    69    52    53  
   59    60    61    70    71    72    73    74    75    80    81    62    63    64    65    53    54    55    56  
   54    55    56    59    62    80  
   55    56  
   56  
    0  
   58    66    67    68    69  
   66    67    68    69  
   60    61    70    71    72    73    74    80    81    76    62    63    64    65  
   61    70    71    72    73    80    62  
   70    71    72    73    80    62  
   63    64    65    70    74    80    81  
   64    65    80  
   65    80  
   80  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    74    76  
   73    74    76  
   74    75    80    81    76    77    78    79  
   75    80    81    76    77    78    79  
   80    81    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    59   268.000  1.529
   52    80   268.000  1.529
   52    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   549.000  1.340
   73    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    45   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   51    57   214.000  1.327
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    52    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    45    80    60.00000  109.50000
   42    37    38    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    58.35000  112.70000
   42    48    51    50.00000  109.50000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51    57    83.00000  116.90000
   50    33    37    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    52    80    58.35000  112.70000
   50    52    62    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    70    58.35000  112.70000
   52    80    74    70.00000  112.02700
   52    80    81    37.50000  110.70000
   52    80    45    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    70.00000  112.02700
   61    59    60    33.00000  107.80000
   70    59    60    37.50000  110.70000
   70    59    61    37.50000  110.70000
   70    73    74    70.00000  124.00000
   70    73    76    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    80    70.00000  124.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    45    85.00000  110.90400
   80    52    59    58.35000  112.70000
   80    74    75    35.00000  117.00000
   45    37    38    35.00000  109.50000
   45    37    42    50.00000  109.50000
   45    80    81    35.00000  109.50000
   76    73    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    52    59    58.35000  112.70000
   62    52    80    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    50    52    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
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51    57    58    83.00000  123.40000
   51    57    66    81.00000  111.40000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   66    57    58    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   39    46    47    55.00000  108.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37   -42    48   0.56750  1.0 1.0
   33    37   -42    48  -0.07550 -1.0 2.0
   33    37   -42    48   0.20000  1.0 3.0
   33    37    45    80   0.06250  1.0 1.0
   33    37    45    80  -0.01100 -1.0 2.0
   33    37    45    80   0.28050  1.0 3.0
   33    50    52    59   0.56750  1.0 1.0
   33    50    52    59  -0.07550 -1.0 2.0
   33    50    52    59   0.20000  1.0 3.0
   33    50   -52    80   0.56750  1.0 1.0
   33    50   -52    80  -0.07550 -1.0 2.0
   33    50   -52    80   0.20000  1.0 3.0
   33    50    52    62   0.56750  1.0 1.0
   33    50    52    62  -0.07550 -1.0 2.0
   33    50    52    62   0.20000  1.0 3.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    56   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   37    33   -50    48   0.56750  1.0 1.0
   37    33   -50    48  -0.07550 -1.0 2.0
   37    33   -50    48   0.20000  1.0 3.0
   37    33    50    52   0.56750  1.0 1.0
   37    33    50    52  -0.07550 -1.0 2.0
   37    33    50    52   0.20000  1.0 3.0
   37    33    50    53   0.56750  1.0 1.0
   37    33    50    53  -0.07550 -1.0 2.0
   37    33    50    53   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    46   0.86500  1.0 1.0
   37    33    39    46  -0.17500 -1.0 2.0
   37    33    39    46   0.20800  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    50   0.56750  1.0 1.0
   37    42   -48    50  -0.07550 -1.0 2.0
   37    42   -48    50   0.20000  1.0 3.0
   37    42    48    51   0.62750  1.0 1.0
   37    42    48    51  -0.30950 -1.0 2.0
   37    42    48    51   0.27300  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    45    80   0.37050  1.0 3.0
   42    37    45    80   0.06250  1.0 1.0
   42    37    45    80  -0.01100 -1.0 2.0
   42    37    45    80   0.28050  1.0 3.0
   42    48   -50    33   0.56750  1.0 1.0
   42    48   -50    33  -0.07550 -1.0 2.0
   42    48   -50    33   0.20000  1.0 3.0
   42    48    50    52   0.56750  1.0 1.0
   42    48    50    52  -0.07550 -1.0 2.0
   42    48    50    52   0.20000  1.0 3.0
   42    48    50    53   0.56750  1.0 1.0
   42    48    50    53  -0.07550 -1.0 2.0
   42    48    50    53   0.20000  1.0 3.0
   42    48    51    57  -0.25900  1.0 1.0
   42    48    51    57  -0.47000 -1.0 2.0
   42    48    51    57   0.11750  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.23400  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    50   0.15000  1.0 3.0
   44    42    48    51   0.23400  1.0 3.0
   48    50    52    59   0.56750  1.0 1.0
   48    50    52    59  -0.07550 -1.0 2.0
   48    50    52    59   0.20000  1.0 3.0
   48    50    52    80   0.56750  1.0 1.0
   48    50    52    80  -0.07550 -1.0 2.0
   48    50    52    80   0.20000  1.0 3.0
   48    50    52    62   0.56750  1.0 1.0
   48    50    52    62  -0.07550 -1.0 2.0
   48    50    52    62   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    55   0.15000  1.0 3.0
   48    50    53    56   0.15000  1.0 3.0
   48    51    57    58   3.00000 -1.0 2.0
   48    51    57    66   1.63150  1.0 1.0
   48    51    57    66   2.92000 -1.0 2.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    51    57   0.08050  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    42   0.56750  1.0 1.0
   50    33   -37    42  -0.07550 -1.0 2.0
   50    33   -37    42   0.20000  1.0 3.0
   50    33    37    45   0.62750  1.0 1.0
   50    33    37    45  -0.30950 -1.0 2.0
   50    33    37    45   0.27300  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    46   0.86500  1.0 1.0
   50    33    39    46  -0.17500 -1.0 2.0
   50    33    39    46   0.20800  1.0 3.0
   50    48    51    57  -0.25900  1.0 1.0
   50    48    51    57  -0.47000 -1.0 2.0
   50    48    51    57   0.11750  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    70   0.56750  1.0 1.0
   50    52    59    70  -0.07550 -1.0 2.0
   50    52    59    70   0.20000  1.0 3.0
   50    52    80    74   0.34400  1.0 1.0
   50    52    80    74   0.09450 -1.0 2.0
   50    52    80    74   0.11100  1.0 3.0
   50    52    80    81   0.15000  1.0 3.0
   50    52   -80    45   0.62750  1.0 1.0
   50    52   -80    45  -0.30950 -1.0 2.0
   50    52   -80    45   0.27300  1.0 3.0
   50    52    62    63   0.15000  1.0 3.0
   50    52    62    64   0.15000  1.0 3.0
   50    52    62    65   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    59    70    71   0.15000  1.0 3.0
   52    59    70    72   0.15000  1.0 3.0
   52    59    70    73   0.34400  1.0 1.0
   52    59    70    73   0.09450 -1.0 2.0
   52    59    70    73   0.11100  1.0 3.0
   52    80   -45    37   0.06250  1.0 1.0
   52    80   -45    37  -0.01100 -1.0 2.0
   52    80   -45    37   0.28050  1.0 3.0
   59    52    80    74   0.34400  1.0 1.0
   59    52    80    74   0.09450 -1.0 2.0
   59    52    80    74   0.11100  1.0 3.0
   59    52    80    81   0.15000  1.0 3.0
   59    52    80    45   0.62750  1.0 1.0
   59    52    80    45  -0.30950 -1.0 2.0
   59    52    80    45   0.27300  1.0 3.0
   59    52    62    63   0.15000  1.0 3.0
   59    52    62    64   0.15000  1.0 3.0
   59    52    62    65   0.15000  1.0 3.0
   59    70   -73    74   0.09850  1.0 1.0
   59    70   -73    74   0.15250 -1.0 2.0
   59    70   -73    74  -0.50650  1.0 3.0
   59    70    73    76   0.46850  1.0 1.0
   59    70    73    76   0.08550 -1.0 2.0
   59    70    73    76   0.09800  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    72   0.15000  1.0 3.0
   60    59    70    73   0.15000  1.0 3.0
   61    59    70    71   0.15000  1.0 3.0
   61    59    70    72   0.15000  1.0 3.0
   61    59    70    73   0.15000  1.0 3.0
   70    73    74    75   7.00000 -1.0 2.0
   70    73    74    80   7.00000 -1.0 2.0
   70    73    76    77   0.34800  1.0 3.0
   70    73    76    78   0.34800  1.0 3.0
   70    73    76    79   0.34800  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    76   0.34800  1.0 3.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    76   0.34800  1.0 3.0
   73    74   -80    52   0.09850  1.0 1.0
   73    74   -80    52   0.15250 -1.0 2.0
   73    74   -80    52  -0.50650  1.0 3.0
   73    74    80    81   0.00000  1.0 1.0
   73    74    80    45   0.39000  1.0 1.0
   73    74    80    45  -0.05800 -1.0 2.0
   73    74    80    45  -0.55150  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   74    73    76    79   0.00000  1.0 1.0
   74    80    45    37  -0.77900  1.0 1.0
   74    80    45    37  -0.36900 -1.0 2.0
   74    80    45    37   0.40400  1.0 3.0
   75    74    80    52   0.00000  1.0 1.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    45   0.00000  1.0 1.0
   80    52    59    60   0.15000  1.0 3.0
   80    52    59    61   0.15000  1.0 3.0
   80    52   -59    70   0.56750  1.0 1.0
   80    52   -59    70  -0.07550 -1.0 2.0
   80    52   -59    70   0.20000  1.0 3.0
   80    52    62    63   0.15000  1.0 3.0
   80    52    62    64   0.15000  1.0 3.0
   80    52    62    65   0.15000  1.0 3.0
   81    80    45    37   0.37050  1.0 3.0
   45    37    42    43   0.23400  1.0 3.0
   45    37    42    44   0.23400  1.0 3.0
   45    37    42    48   0.62750  1.0 1.0
   45    37    42    48  -0.30950 -1.0 2.0
   45    37    42    48   0.27300  1.0 3.0
   76    73    74    75   7.00000 -1.0 2.0
   76    73    74    80   7.00000 -1.0 2.0
   62    52    59    60   0.15000  1.0 3.0
   62    52    59    61   0.15000  1.0 3.0
   62    52    59    70   0.56750  1.0 1.0
   62    52    59    70  -0.07550 -1.0 2.0
   62    52    59    70   0.20000  1.0 3.0
   62    52    80    74   0.34400  1.0 1.0
   62    52    80    74   0.09450 -1.0 2.0
   62    52    80    74   0.11100  1.0 3.0
   62    52    80    81   0.15000  1.0 3.0
   62    52    80    45   0.62750  1.0 1.0
   62    52    80    45  -0.30950 -1.0 2.0
   62    52    80    45   0.27300  1.0 3.0
   53    50    52    59   0.56750  1.0 1.0
   53    50    52    59  -0.07550 -1.0 2.0
   53    50    52    59   0.20000  1.0 3.0
   53    50    52    80   0.56750  1.0 1.0
   53    50    52    80  -0.07550 -1.0 2.0
   53    50    52    80   0.20000  1.0 3.0
   53    50    52    62   0.56750  1.0 1.0
   53    50    52    62  -0.07550 -1.0 2.0
   53    50    52    62   0.20000  1.0 3.0
   51    48    50    33   0.62750  1.0 1.0
   51    48    50    33  -0.30950 -1.0 2.0
   51    48    50    33   0.27300  1.0 3.0
   51    48    50    52   0.62750  1.0 1.0
   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   51    57    66    67   0.00000  1.0 1.0
   51    57    66    68   0.00000  1.0 1.0
   51    57    66    69   0.00000  1.0 1.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   58    57    66    69   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    50    48   0.56750  1.0 1.0
   39    33    50    48  -0.07550 -1.0 2.0
   39    33    50    48   0.20000  1.0 3.0
   39    33    50    52   0.56750  1.0 1.0
   39    33    50    52  -0.07550 -1.0 2.0
   39    33    50    52   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   41    39    46    47   0.19450  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
   70    76    73    74   1.10000 -1.0 2.0
   80    75    74    73   1.10000 -1.0 2.0
   51    66    57    58  10.50000 -1.0 2.0
END
