* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    159    248     469
    1     0 S   NP   _N1_     1    29.90854    92.31574   -27.17834
    2     1 S   H    _HN1     2     1.02792   123.85797  -112.10346
    3     1 S   H    _H1_     3     1.02947    98.50013     6.83013
    4     1 S   H    _H2_     4     1.02829    16.03566  -116.97484
    5     1 S   CT   _CA1     5     1.50124   102.45971   120.05575
    6     5 S   HC   _HA1     6     1.09574   105.16983    73.65913
    7     5 S   CO3  _C1_     7     1.53770   112.40729   -46.56731
    8     7 S   O2Z  _O11     8     1.26379   115.00182   -43.72508
    9     7 S   O2Z  _O12     9     1.26232   114.94219   135.24849
   10     5 S   CT   _CB1    10     1.53057   107.40765  -168.37578
   11    10 S   HC   HB11    11     1.09841   109.35723   -49.30662
   12    10 S   HC   HB12    12     1.09812   110.47975    67.29441
   13    10 S   CT   _CG1    13     1.53021   112.61996  -170.22589
   14    13 S   HC   HG11    14     1.09570   110.72921   -66.80472
   15    13 S   HC   HG12    15     1.09668   109.70973    52.44924
   16    13 S   C    _CD1    16     1.51810   111.97257   172.94882
   17    16 S   O    _OE1    17     1.22765   123.15197    12.16235
   18    16 S   N    _N2_    18     1.38644   111.83893  -167.97153
   19    18 S   H    _HN2    19     1.01577   119.09215     0.83650
   20    18 S   CT1  _CA2    20     1.46231   123.33764   176.94207
   21    20 S   HC   _HA2    21     1.09753   109.20693     6.07954
   22    20 S   C    _C2_    22     1.53670   108.96761  -109.33114
   23    22 S   O    _O2_    23     1.23081   122.23359  -150.42603
   24    20 S   CT   _CB2    32     1.53539   111.78515   127.91869
   25    24 S   HC   HB21    33     1.09494   109.55564    57.41585
   26    24 S   HC   HB22    34     1.09237   109.44093   176.12364
   27    22 S   N    _N3_    24     1.38318   113.86780    37.13676
   28    27 S   H    _HN3    25     1.01548   119.56844    -3.48189
   29    24 S   S    _SG2    35     1.82841   110.87410   -62.99439
   30    27 S   CT   _CA3    26     1.45274   123.29614   177.13386
   31    30 S   HC   HA31    27     1.09547   107.52604   -64.46203
   32    30 S   HC   HA32    28     1.09555   107.98196    51.99374
   33    29 S   CT   _C11    36     1.92199   102.97297  -166.39459
   34    30 S   CO3  _C3_    29     1.52979   114.03871   173.98419
   35    34 S   O2Z  _O31    30     1.26386   116.07444    -0.35443
   36    34 S   O2Z  _O32    31     1.26428   114.41238   179.70459
   37    33 S   CT   _C10    37     1.54825   108.63973    68.98153
   38    37 S   HC   _H4_    38     1.09266   113.20287   -53.33605
   39    33 S   CT   _C22    80     1.58050   108.24157   -51.16681
   40    39 S   OM   _O37    81     1.32621   110.29906   -62.48374
   41    39 S   HC   _H25    82     1.09761   107.39699   167.93987
   42    39 S   HC   _H26    83     1.10223   105.48325    64.86517
   43    37 S   CT   _C9_    39     1.53529   106.01111    67.79150
   44    43 S   HC   _H11    40     1.09461   111.63392   149.60760
   45    43 S   HC   _H12    41     1.09577   110.60287   -90.82941
   46    37 S   OS   _O36    56     1.43477   109.63122  -170.85449
   47    43 S   CT   _C8_    42     1.54210   104.84380    29.06609
   48    47 S   HC   _H3_    43     1.08893   110.52034   125.71556
   49    33 S   CT   _C12    44     1.61728   112.18403   174.03415
   50    47 S   OS   _O34    69     1.44409   110.47258  -116.82504
   51    49 S   CT   _C13    45     1.62488   112.50499  -178.66323
   52    49 S   CT   _C21    65     1.54195   113.63705    53.89678
   53    52 S   HC   _H22    66     1.09283   112.12293    70.20704
   54    52 S   HC   _H23    67     1.09351   112.87400   -50.31577
   55    52 S   HC   _H24    68     1.09426   111.24580  -169.30697
   56    50 S   CO4  _C7_    70     1.35992   117.56077   -75.93164
   57    56 S   O    _O33    71     1.21885   126.65686    -1.16298
   58    51 S   CT   _C14    46     1.55375   113.14245   -76.77163
   59    58 S   HC   _H13    47     1.08274   114.37018    45.27899
   60    58 S   HC   _H14    48     1.09817   109.46010   -73.35492
   61    51 S   CT   _C20    61     1.57226   111.83920   167.28256
   62    61 S   HC   _H19    62     1.09259   113.32045   -68.88556
   63    61 S   HC   _H20    63     1.09630   111.67285   172.79568
   64    61 S   HC   _H21    64     1.09375   111.85140    53.45886
   65    56 S   CM   _C6_    72     1.48109   106.99626   179.01444
   66    65 S   HC   _H10    73     1.08762   116.06971    10.92000
   67    58 S   CO4  _C15    49     1.51588   114.73178   166.79555
   68    67 S   O    _O35    50     1.23128   120.72195   150.41481
   69    65 S   CM   _C5_    74     1.34044   125.63150  -169.61721
   70    69 S   HC   _H9_    75     1.08947   116.48367  -178.78437
   71    67 S   CM   _C16    51     1.48656   118.97457   -32.85649
   72    69 S   CT   _C4_    76     1.49328   129.24603     2.21788
   73    72 S   HC   _H6_    77     1.09412   109.93281  -109.20905
   74    72 S   HC   _H7_    78     1.09514   109.29921   132.43823
   75    72 S   HC   _H8_    79     1.09084   113.85654    12.97759
   76    71 S   CM   _C17    52     1.33907   119.09521     9.61061
   77    76 S   HC   _H15    53     1.08883   118.39178  -178.90122
   78    71 S   CT   _C19    57     1.49632   117.55908  -170.16619
   79    78 S   HC   _H16    58     1.09492   110.47463   -61.27690
   80    78 S   HC   _H17    59     1.09516   111.98097   178.76965
   81    78 S   HC   _H18    60     1.09495   110.44991    58.86004
   82    51 S   CT   _C18    54     1.56036   109.34926    48.91048
   83    82 S   HC   _H5_    55     1.09755   108.48881    85.30996
  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
  22   2   1   1  18   8   9   3   2   1  11   6   5  10  14   5
  18   7  18   6   2   1   1   6   3  13   6   5   7   3   2   1
   7   3   9   3   5   4   8   3   2   1   1   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    49    51    46    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    48    49    51    58    82    46    61    52    53    54    55    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    48    49    51    76    82    83    46    52    50    39    40    41    42  
   43    44    45    47    49    82    46    39  
   40    41    42    43    46    47    49    51    52  
   41    42    49  
   42    49  
   49  
   44    45    47    48    49    51    82    46    52    50    56  
   45    47    48    49    46    50  
   47    48    49    46    50  
   61    47    49    51    58    71    76    77    82    83  
   48    49    51    58    82    61    52    53    54    55    50    56    57    65  
   49    51    52    50    56  
   51    58    59    60    67    76    82    83    61    62    63    64    52    53    54    55    50    56  
   56    57    65    66    69    51    52  
   58    59    60    67    68    71    76    77    82    83    61    62    63    64    52    53    54    55  
   53    54    55    58    61    82  
   54    55  
   55  
    0  
   57    65    66    69    70    72  
   65    66    69  
   59    60    67    68    71    76    82    83    78    61    62    63    64  
   60    67    68    71    82    61  
   67    68    71    82    61  
   62    63    64    67    76    82    83  
   63    64    82  
   64    82  
   82  
   66    69    70    72    73    74    75  
   69    70    72  
   68    71    76    77    82    78    79    80    81  
   71    76    78  
   70    72    73    74    75  
   72    73    74    75  
   76    77    82    83    78    79    80    81  
   73    74    75  
   74    75  
   75  
    0  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   83   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    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    58   268.000  1.529
   51    82   268.000  1.529
   51    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   317.000  1.522
   67    68   570.000  1.229
   67    71   320.000  1.462
   71    76   549.000  1.340
   71    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    46   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   50    56   214.000  1.327
   56    57   570.000  1.229
   56    65   320.000  1.462
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    49    47    58.35000  112.70000
   33    49    51    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    46    82    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50    56    83.00000  116.90000
   49    33    37    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    51    82    58.35000  112.70000
   49    51    61    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    67    63.00000  111.10000
   51    82    76    70.00000  112.02700
   51    82    83    37.50000  110.70000
   51    82    46    50.00000  109.50000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   58    67    68    80.00000  120.40000
   58    67    71    65.00000  118.62400
   60    58    59    33.00000  107.80000
   67    58    59    35.00000  109.50000
   67    58    60    35.00000  109.50000
   67    71    76    65.00000  118.96000
   67    71    78    65.00000  116.34900
   71    67    68    80.00000  123.72100
   71    76    77    35.00000  120.00000
   71    76    82    70.00000  124.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    46    85.00000  110.90400
   82    51    58    58.35000  112.70000
   82    76    77    35.00000  117.00000
   46    37    38    35.00000  109.50000
   46    37    43    50.00000  109.50000
   46    82    83    35.00000  109.50000
   78    71    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    51    58    58.35000  112.70000
   61    51    82    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50    56    57    83.00000  123.40000
   50    56    65    90.00000  111.29400
   56    65    66    40.00000  117.72500
   56    65    69    65.00000  118.96000
   65    56    57    80.00000  123.72100
   65    69    70    35.00000  120.00000
   65    69    72    70.00000  124.00000
   69    65    66    35.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   72    69    70    35.00000  117.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37   -43    47   0.56750  1.0 1.0
   33    37   -43    47  -0.07550 -1.0 2.0
   33    37   -43    47   0.20000  1.0 3.0
   33    37    46    82   0.06250  1.0 1.0
   33    37    46    82  -0.01100 -1.0 2.0
   33    37    46    82   0.28050  1.0 3.0
   33    49    51    58   0.56750  1.0 1.0
   33    49    51    58  -0.07550 -1.0 2.0
   33    49    51    58   0.20000  1.0 3.0
   33    49   -51    82   0.56750  1.0 1.0
   33    49   -51    82  -0.07550 -1.0 2.0
   33    49   -51    82   0.20000  1.0 3.0
   33    49    51    61   0.56750  1.0 1.0
   33    49    51    61  -0.07550 -1.0 2.0
   33    49    51    61   0.20000  1.0 3.0
   33    49    52    53   0.15000  1.0 3.0
   33    49    52    54   0.15000  1.0 3.0
   33    49    52    55   0.15000  1.0 3.0
   37    33   -49    47   0.56750  1.0 1.0
   37    33   -49    47  -0.07550 -1.0 2.0
   37    33   -49    47   0.20000  1.0 3.0
   37    33    49    51   0.56750  1.0 1.0
   37    33    49    51  -0.07550 -1.0 2.0
   37    33    49    51   0.20000  1.0 3.0
   37    33    49    52   0.56750  1.0 1.0
   37    33    49    52  -0.07550 -1.0 2.0
   37    33    49    52   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    48   0.15000  1.0 3.0
   37    43   -47    49   0.56750  1.0 1.0
   37    43   -47    49  -0.07550 -1.0 2.0
   37    43   -47    49   0.20000  1.0 3.0
   37    43    47    50   0.62750  1.0 1.0
   37    43    47    50  -0.30950 -1.0 2.0
   37    43    47    50   0.27300  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    47   0.15000  1.0 3.0
   38    37    46    82   0.37050  1.0 3.0
   43    37    46    82   0.06250  1.0 1.0
   43    37    46    82  -0.01100 -1.0 2.0
   43    37    46    82   0.28050  1.0 3.0
   43    47   -49    33   0.56750  1.0 1.0
   43    47   -49    33  -0.07550 -1.0 2.0
   43    47   -49    33   0.20000  1.0 3.0
   43    47    49    51   0.56750  1.0 1.0
   43    47    49    51  -0.07550 -1.0 2.0
   43    47    49    51   0.20000  1.0 3.0
   43    47    49    52   0.56750  1.0 1.0
   43    47    49    52  -0.07550 -1.0 2.0
   43    47    49    52   0.20000  1.0 3.0
   43    47    50    56  -0.25900  1.0 1.0
   43    47    50    56  -0.47000 -1.0 2.0
   43    47    50    56   0.11750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.23400  1.0 3.0
   47    49    51    58   0.56750  1.0 1.0
   47    49    51    58  -0.07550 -1.0 2.0
   47    49    51    58   0.20000  1.0 3.0
   47    49    51    82   0.56750  1.0 1.0
   47    49    51    82  -0.07550 -1.0 2.0
   47    49    51    82   0.20000  1.0 3.0
   47    49    51    61   0.56750  1.0 1.0
   47    49    51    61  -0.07550 -1.0 2.0
   47    49    51    61   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    55   0.15000  1.0 3.0
   47    50    56    57   3.00000 -1.0 2.0
   47    50    56    65   2.00000 -1.0 2.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    50    56   0.08050  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33   -37    43   0.56750  1.0 1.0
   49    33   -37    43  -0.07550 -1.0 2.0
   49    33   -37    43   0.20000  1.0 3.0
   49    33    37    46   0.62750  1.0 1.0
   49    33    37    46  -0.30950 -1.0 2.0
   49    33    37    46   0.27300  1.0 3.0
   49    33    39    40   0.62750  1.0 1.0
   49    33    39    40  -0.30950 -1.0 2.0
   49    33    39    40   0.27300  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    47    50    56  -0.25900  1.0 1.0
   49    47    50    56  -0.47000 -1.0 2.0
   49    47    50    56   0.11750  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    67  -0.95700  1.0 1.0
   49    51    58    67  -0.18200 -1.0 2.0
   49    51    58    67   0.29450  1.0 3.0
   49    51    82    76   0.34400  1.0 1.0
   49    51    82    76   0.09450 -1.0 2.0
   49    51    82    76   0.11100  1.0 3.0
   49    51    82    83   0.15000  1.0 3.0
   49    51   -82    46   0.62750  1.0 1.0
   49    51   -82    46  -0.30950 -1.0 2.0
   49    51   -82    46   0.27300  1.0 3.0
   49    51    61    62   0.15000  1.0 3.0
   49    51    61    63   0.15000  1.0 3.0
   49    51    61    64   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    58    67    68   0.30150 -1.0 2.0
   51    58    67    71   0.65300  1.0 1.0
   51    58    67    71  -0.03850 -1.0 2.0
   51    58    67    71   0.33900  1.0 3.0
   51    82   -46    37   0.06250  1.0 1.0
   51    82   -46    37  -0.01100 -1.0 2.0
   51    82   -46    37   0.28050  1.0 3.0
   58    51    82    76   0.34400  1.0 1.0
   58    51    82    76   0.09450 -1.0 2.0
   58    51    82    76   0.11100  1.0 3.0
   58    51    82    83   0.15000  1.0 3.0
   58    51    82    46   0.62750  1.0 1.0
   58    51    82    46  -0.30950 -1.0 2.0
   58    51    82    46   0.27300  1.0 3.0
   58    51    61    62   0.15000  1.0 3.0
   58    51    61    63   0.15000  1.0 3.0
   58    51    61    64   0.15000  1.0 3.0
   58    67   -71    76  -0.33500  1.0 1.0
   58    67   -71    76   1.06600 -1.0 2.0
   58    67   -71    76  -0.14000  1.0 3.0
   58    67    71    78   0.25700  1.0 1.0
   58    67    71    78   0.66200 -1.0 2.0
   58    67    71    78   0.04450  1.0 3.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    71   0.00000  1.0 1.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    71   0.00000  1.0 1.0
   67    71    76    77   7.00000 -1.0 2.0
   67    71    76    82   7.00000 -1.0 2.0
   67    71    78    79   0.15000  1.0 3.0
   67    71    78    80   0.15000  1.0 3.0
   67    71    78    81   0.15000  1.0 3.0
   68    67    71    76   1.00000 -1.0 2.0
   68    67    71    78  -0.64400  1.0 1.0
   68    67    71    78   0.26850 -1.0 2.0
   71    76   -82    51   0.09850  1.0 1.0
   71    76   -82    51   0.15250 -1.0 2.0
   71    76   -82    51  -0.50650  1.0 3.0
   71    76    82    83   0.00000  1.0 1.0
   71    76    82    46   0.39000  1.0 1.0
   71    76    82    46  -0.05800 -1.0 2.0
   71    76    82    46  -0.55150  1.0 3.0
   76    71    78    79   0.00000  1.0 1.0
   76    71    78    80   0.00000  1.0 1.0
   76    71    78    81   0.00000  1.0 1.0
   76    82    46    37  -0.77900  1.0 1.0
   76    82    46    37  -0.36900 -1.0 2.0
   76    82    46    37   0.40400  1.0 3.0
   77    76    82    51   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    46   0.00000  1.0 1.0
   82    51    58    59   0.15000  1.0 3.0
   82    51    58    60   0.15000  1.0 3.0
   82    51   -58    67  -0.95700  1.0 1.0
   82    51   -58    67  -0.18200 -1.0 2.0
   82    51   -58    67   0.29450  1.0 3.0
   82    51    61    62   0.15000  1.0 3.0
   82    51    61    63   0.15000  1.0 3.0
   82    51    61    64   0.15000  1.0 3.0
   83    82    46    37   0.37050  1.0 3.0
   46    37    43    44   0.23400  1.0 3.0
   46    37    43    45   0.23400  1.0 3.0
   46    37    43    47   0.62750  1.0 1.0
   46    37    43    47  -0.30950 -1.0 2.0
   46    37    43    47   0.27300  1.0 3.0
   78    71    76    77   7.00000 -1.0 2.0
   78    71    76    82   7.00000 -1.0 2.0
   61    51    58    59   0.15000  1.0 3.0
   61    51    58    60   0.15000  1.0 3.0
   61    51    58    67  -0.95700  1.0 1.0
   61    51    58    67  -0.18200 -1.0 2.0
   61    51    58    67   0.29450  1.0 3.0
   61    51    82    76   0.34400  1.0 1.0
   61    51    82    76   0.09450 -1.0 2.0
   61    51    82    76   0.11100  1.0 3.0
   61    51    82    83   0.15000  1.0 3.0
   61    51    82    46   0.62750  1.0 1.0
   61    51    82    46  -0.30950 -1.0 2.0
   61    51    82    46   0.27300  1.0 3.0
   52    49    51    58   0.56750  1.0 1.0
   52    49    51    58  -0.07550 -1.0 2.0
   52    49    51    58   0.20000  1.0 3.0
   52    49    51    82   0.56750  1.0 1.0
   52    49    51    82  -0.07550 -1.0 2.0
   52    49    51    82   0.20000  1.0 3.0
   52    49    51    61   0.56750  1.0 1.0
   52    49    51    61  -0.07550 -1.0 2.0
   52    49    51    61   0.20000  1.0 3.0
   50    47    49    33   0.62750  1.0 1.0
   50    47    49    33  -0.30950 -1.0 2.0
   50    47    49    33   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   50    56    65    66   1.63100 -1.0 2.0
   50    56    65    69  -0.56150  1.0 1.0
   50    56    65    69   2.19150 -1.0 2.0
   56    65    69    70   7.00000 -1.0 2.0
   56    65    69    72   7.00000 -1.0 2.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    69   1.00000 -1.0 2.0
   65    69    72    73   0.00000  1.0 1.0
   65    69    72    74   0.00000  1.0 1.0
   65    69    72    75   0.00000  1.0 1.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    72   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.33100  1.0 3.0
   70    69    72    75   0.33100  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    46   0.62750  1.0 1.0
   39    33    37    46  -0.30950 -1.0 2.0
   39    33    37    46   0.27300  1.0 3.0
   39    33    49    47   0.56750  1.0 1.0
   39    33    49    47  -0.07550 -1.0 2.0
   39    33    49    47   0.20000  1.0 3.0
   39    33    49    51   0.56750  1.0 1.0
   39    33    49    51  -0.07550 -1.0 2.0
   39    33    49    51   0.20000  1.0 3.0
   39    33    49    52   0.56750  1.0 1.0
   39    33    49    52  -0.07550 -1.0 2.0
   39    33    49    52   0.20000  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
   58    71    67    68  10.50000 -1.0 2.0
   67    78    71    76   1.10000 -1.0 2.0
   82    77    76    71   1.10000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
   56    66    65    69  15.00000 -1.0 2.0
   72    70    69    65  15.00000 -1.0 2.0
END
