* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    252     480
    1     0 S   NP   _N1_     1    29.71223    95.66972   -17.31916
    2     1 S   H    _HN1     2     1.02832    47.99033   136.97630
    3     1 S   H    _H1_     3     1.02770    67.15053   -76.89426
    4     1 S   H    _H2_     4     1.02968    96.74056    30.24742
    5     1 S   CT   _CA1     5     1.50175   150.68848  -172.19553
    6     5 S   HC   _HA1     6     1.09578   105.15674    21.09414
    7     5 S   CO3  _C1_     7     1.53946   112.61131   -98.72040
    8     7 S   O2Z  _O11     8     1.26337   115.04416   -34.74604
    9     7 S   O2Z  _O12     9     1.26277   115.03575   144.40742
   10     5 S   CT   _CB1    10     1.53162   107.32656   138.92249
   11    10 S   HC   HB11    11     1.09806   109.43731   -50.15965
   12    10 S   HC   HB12    12     1.09780   110.23998    66.39412
   13    10 S   CT   _CG1    13     1.52862   112.66527  -171.34628
   14    13 S   HC   HG11    14     1.09490   109.98324   -62.52706
   15    13 S   HC   HG12    15     1.09637   110.19054    56.45521
   16    13 S   C    _CD1    16     1.51831   112.79042   177.00507
   17    16 S   O    _OE1    17     1.22656   123.41015   -10.80726
   18    16 S   N    _N2_    18     1.38600   111.29632   169.74834
   19    18 S   H    _HN2    19     1.01545   118.75215     1.62221
   20    18 S   CT1  _CA2    20     1.46066   123.95413  -178.03278
   21    20 S   HC   _HA2    21     1.09708   109.31482   -17.83572
   22    20 S   C    _C2_    22     1.53534   107.79797  -133.52245
   23    22 S   O    _O2_    23     1.23003   122.31950  -146.64880
   24    20 S   CT   _CB2    32     1.53556   111.66467   104.74790
   25    24 S   HC   HB21    33     1.09520   110.39191    53.96805
   26    24 S   HC   HB22    34     1.09537   110.18379   171.69958
   27    22 S   N    _N3_    24     1.38523   113.37586    40.45948
   28    27 S   H    _HN3    25     1.01535   118.88514    -0.18557
   29    24 S   S    _SG2    35     1.83010   112.74897   -70.01358
   30    27 S   CT   _CA3    26     1.45444   123.55819   175.99137
   31    30 S   HC   HA31    27     1.09516   109.36376    21.29037
   32    30 S   HC   HA32    28     1.09501   107.05705   138.26327
   33    29 S   CT   _C22    36     1.83002   100.24725   125.10154
   34    33 S   HC   _H26    37     1.09386   107.78095    48.29787
   35    33 S   HC   _H27    38     1.09581   106.94920   163.01811
   36    30 S   CO3  _C3_    29     1.52898   113.08912  -102.32338
   37    36 S   O2Z  _O31    30     1.26406   115.39727   -44.18116
   38    36 S   O2Z  _O32    31     1.26352   114.98117   136.75871
   39    33 S   CT   _C20    39     1.52888   112.48796   -75.70017
   40    39 S   HC   _H7_    40     1.09235   111.92815    40.55501
   41    39 S   CO4  _C21    41     1.50759   112.81234   -80.62458
   42    41 S   O    _O38    42     1.22040   126.66975    39.31067
   43    41 S   OS   _O39    43     1.36264   109.28613  -142.23778
   44    43 S   CT   _C7_    44     1.44893   110.67910    -2.34017
   45    44 S   HC   _H3_    45     1.09914   105.59145   -88.87154
   46    44 S   CM   _C6_    46     1.50759   105.13131   159.98753
   47    46 S   HC   _H11    47     1.09629   107.05242    56.46941
   48    39 S   CT   _C8_    61     1.54522   112.86297   165.24815
   49    48 S   HC   _H4_    62     1.09432   105.87216    40.71761
   50    46 S   CM   _C5_    48     1.35116   139.39999  -124.18263
   51    50 S   CO   _C14    49     1.52347   130.36327    -0.50435
   52    50 S   CT   _C4_    83     1.52427   116.79575  -179.18411
   53    52 S   HC   _H8_    84     1.09462   110.72148   122.78932
   54    52 S   HC   _H9_    85     1.09542   112.96775     3.03970
   55    52 S   HC   _H10    86     1.09475   110.56589  -116.81393
   56    51 S   CT   _C13    50     1.54011   111.54300  -110.47128
   57    56 S   HC   _H14    51     1.09665   111.31255    22.24965
   58    56 S   HC   _H15    52     1.09569   112.26122   -98.90912
   59    51 S   OH   _O34    81     1.42939   109.93897   129.86093
   60    59 S   HO   _H16    82     0.97195   107.29871   -43.47613
   61    56 S   CT   _C12    53     1.51597   103.45034   139.27013
   62    61 S   HC   _H6_    54     1.09440   113.18100  -152.83295
   63    61 S   CT   _C11    55     1.53219   102.39238   -30.81560
   64    61 S   OH   _O35    79     1.42468   108.94450    87.19279
   65    64 S   HO   _H17    80     0.97243   107.63589    63.14853
   66    63 S   CT   _C10    56     1.54479   111.21197   -79.69942
   67    66 S   HC   _H12    57     1.09659   111.05458    49.04514
   68    66 S   HC   _H13    58     1.09854   108.91684   -65.43686
   69    51 S   OS   _O33    74     1.42467   112.85878     9.91865
   70    63 S   CT   _C15    75     1.52928   113.33103   153.56166
   71    70 S   HC   _H18    76     1.09572   111.39550   -57.15494
   72    70 S   HC   _H19    77     1.09483   111.56311  -174.12430
   73    70 S   HC   _H20    78     1.09445   111.34410    64.24237
   74    66 S   CT   _C9_    59     1.53686   115.76102   171.66926
   75    74 S   HC   _H5_    60     1.09534   108.74417    65.96524
   76    74 S   OS   _O36    63     1.45268   106.88078  -176.98481
   77    76 S   CO4  _C16    64     1.35920   118.13553   -90.72329
   78    77 S   O    _O37    65     1.22194   126.21865     0.26467
   79    77 S   CM   _C17    66     1.48806   109.24253  -179.18868
   80    79 S   CM   _C18    67     1.34102   117.31224   164.06754
   81    80 S   HC   _H21    68     1.08557   120.99468   179.82641
   82    80 S   HC   _H22    69     1.08563   122.45106    -0.72739
   83    79 S   CT   _C19    70     1.49725   119.94069   -16.57391
   84    83 S   HC   _H23    71     1.09498   110.47719   -55.97182
   85    83 S   HC   _H24    72     1.09386   110.71415    64.40412
   86    83 S   HC   _H25    73     1.09526   111.87323  -175.70053
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  13  16   6   2   1   1  12   7   6   4   1  13   6  13   4
   1  11   6   5   5   4   2   1   1   5   2   5   9   3   7   6
   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    74    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    74    75    48    49    76  
   41    42    43    44    74    48    49  
   42    43    44    45    46    74    48    49  
   43    44    48  
   44    45    46    47    50    74    48    49  
   45    46    47    50    51    66    74    75    48    49    76    52  
   46    47    50    74    48    49  
   47    50    51    56    74    48    49    69    59    52    53    54    55  
   50    51    48    52  
   49    76    77    50    63    66    67    68    74    75  
   76    66    74    75  
   51    56    57    58    61    63    69    59    60    52    53    54    55  
   56    57    58    61    62    63    66    69    70    64    59    60    52    53    54    55  
   53    54    55    56    59    69  
   54    55  
   55  
    0  
   57    58    61    62    63    66    69    70    64    65    59    60  
   58    61    62    63    69    64    59  
   61    62    63    69    64    59  
   60    61    63    69  
   69  
   62    63    66    67    68    74    69    70    71    72    73    64    65  
   63    66    69    70    64    65  
   66    67    68    74    75    76    69    70    71    72    73    64    65  
   65    66    69    70  
    0  
   67    68    74    75    76    77    69    70    71    72    73  
   68    74    75    76    69    70  
   74    75    76    69    70  
   70    71    72    73    74  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77  
   77    78    79    80    83  
   78    79    80    81    82    83    84    85    86  
   79    80    83  
   80    81    82    83    84    85    86  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.364700   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    52   317.000  1.510
   51    56   250.000  1.527
   51    69   320.000  1.380
   51    59   380.000  1.407
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    64   320.000  1.410
   63    66   268.000  1.529
   63    69   320.000  1.410
   63    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    48   268.000  1.529
   74    76   320.000  1.410
   48    49   340.000  1.090
   76    77   214.000  1.327
   77    78   570.000  1.229
   77    79   320.000  1.462
   79    80   549.000  1.340
   79    83   317.000  1.510
   80    81   340.000  1.080
   80    82   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   64    65   553.000  0.945
   59    60   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    74    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    74    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    52    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    56    70.00000  112.02700
   50    51    69    85.00000  110.90400
   50    51    59    90.00000  110.39200
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    56    57    45.00000  108.72000
   51    56    58    45.00000  108.72000
   51    56    61    75.00000  109.43000
   51    69    63    60.00000  109.50000
   51    59    60    70.00000  107.92000
   56    61    62    37.50000  110.70000
   56    61    63    58.35000  112.70000
   56    61    64    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    63    66    58.35000  112.70000
   61    63    69    50.00000  109.50000
   61    63    70    58.35000  112.70000
   61    64    65    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    74    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    48    58.35000  112.70000
   66    74    76    50.00000  109.50000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    48    49    37.50000  110.70000
   74    76    77    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    74    75    37.50000  110.70000
   76    74    75    35.00000  109.50000
   76    74    48    50.00000  109.50000
   76    77    78    83.00000  123.40000
   76    77    79    90.00000  111.29400
   77    79    80    65.00000  118.96000
   77    79    83    65.00000  116.34900
   79    77    78    80.00000  123.72100
   79    80    81    35.00000  120.00000
   79    80    82    35.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   82    80    81    35.00000  117.00000
   83    79    80    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    51    56    90.00000  108.56700
   69    63    66    50.00000  109.50000
   70    63    66    58.35000  112.70000
   70    63    69    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    50.00000  109.50000
   59    51    56    90.00000  110.19100
   59    51    69   110.00000  112.08000
   52    50    51    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    74   0.56750  1.0 1.0
   33    39    48    74  -0.07550 -1.0 2.0
   33    39    48    74   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    74   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    74  -0.95700  1.0 1.0
   41    39    48    74  -0.18200 -1.0 2.0
   41    39    48    74   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    74   0.62750  1.0 1.0
   43    44    48    74  -0.30950 -1.0 2.0
   43    44    48    74   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    52   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    74   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    74   0.34400  1.0 1.0
   46    44    48    74   0.09450 -1.0 2.0
   46    44    48    74   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    56   0.09850  1.0 1.0
   46    50    51    56   0.15250 -1.0 2.0
   46    50    51    56  -0.50650  1.0 3.0
   46    50    51    69   0.39000  1.0 1.0
   46    50    51    69  -0.05800 -1.0 2.0
   46    50    51    69  -0.55150  1.0 3.0
   46    50    51    59   0.67800  1.0 1.0
   46    50    51    59   0.47050 -1.0 2.0
   46    50    51    59  -0.62500  1.0 3.0
   46    50    52    53   0.00000  1.0 1.0
   46    50    52    54   0.00000  1.0 1.0
   46    50    52    55   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    61   0.34400  1.0 1.0
   50    51    56    61   0.09450 -1.0 2.0
   50    51    56    61   0.11100  1.0 3.0
   50    51    69    63  -0.77900  1.0 1.0
   50    51    69    63  -0.36900 -1.0 2.0
   50    51    69    63   0.40400  1.0 3.0
   50    51    59    60  -0.07800  1.0 1.0
   50    51    59    60  -0.21500 -1.0 2.0
   50    51    59    60  -0.03150  1.0 3.0
   51    50    52    53   0.34800  1.0 3.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    52    55   0.34800  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56   -61    63   3.97050  1.0 1.0
   51    56    61    64   0.86500  1.0 1.0
   51    56    61    64  -0.17500 -1.0 2.0
   51    56    61    64   0.20800  1.0 3.0
   56    51   -69    63   0.06250  1.0 1.0
   56    51   -69    63  -0.01100 -1.0 2.0
   56    51   -69    63   0.28050  1.0 3.0
   56    51    59    60  -0.11600  1.0 1.0
   56    51    59    60  -0.09450 -1.0 2.0
   56    51    59    60   0.21250  1.0 3.0
   56    61    63    66   0.56750  1.0 1.0
   56    61    63    66  -0.07550 -1.0 2.0
   56    61    63    66   0.20000  1.0 3.0
   56    61   -63    69   0.62750  1.0 1.0
   56    61   -63    69  -0.30950 -1.0 2.0
   56    61   -63    69   0.27300  1.0 3.0
   56    61    63    70   0.56750  1.0 1.0
   56    61    63    70  -0.07550 -1.0 2.0
   56    61    63    70   0.20000  1.0 3.0
   56    61    64    65  -0.11600  1.0 1.0
   56    61    64    65  -0.09450 -1.0 2.0
   56    61    64    65   0.21250  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.23400  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.23400  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    68   0.15000  1.0 3.0
   61    63    66    74   0.56750  1.0 1.0
   61    63    66    74  -0.07550 -1.0 2.0
   61    63    66    74   0.20000  1.0 3.0
   61    63   -69    51   0.06250  1.0 1.0
   61    63   -69    51  -0.01100 -1.0 2.0
   61    63   -69    51   0.28050  1.0 3.0
   61    63    70    71   0.15000  1.0 3.0
   61    63    70    72   0.15000  1.0 3.0
   61    63    70    73   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    64    65   0.19450  1.0 3.0
   63    61    64    65  -0.11600  1.0 1.0
   63    61    64    65  -0.09450 -1.0 2.0
   63    61    64    65   0.21250  1.0 3.0
   63    66    74    75   0.15000  1.0 3.0
   63    66    74    48   0.56750  1.0 1.0
   63    66    74    48  -0.07550 -1.0 2.0
   63    66    74    48   0.20000  1.0 3.0
   63    66    74    76   0.62750  1.0 1.0
   63    66    74    76  -0.30950 -1.0 2.0
   63    66    74    76   0.27300  1.0 3.0
   66    63    69    51   0.06250  1.0 1.0
   66    63    69    51  -0.01100 -1.0 2.0
   66    63    69    51   0.28050  1.0 3.0
   66    63    70    71   0.15000  1.0 3.0
   66    63    70    72   0.15000  1.0 3.0
   66    63    70    73   0.15000  1.0 3.0
   66    74    48    39   0.56750  1.0 1.0
   66    74    48    39  -0.07550 -1.0 2.0
   66    74    48    39   0.20000  1.0 3.0
   66    74    48    44   0.56750  1.0 1.0
   66    74    48    44  -0.07550 -1.0 2.0
   66    74    48    44   0.20000  1.0 3.0
   66    74    48    49   0.15000  1.0 3.0
   66    74    76    77  -0.25900  1.0 1.0
   66    74    76    77  -0.47000 -1.0 2.0
   66    74    76    77   0.11750  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    48   0.15000  1.0 3.0
   67    66    74    76   0.23400  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    48   0.15000  1.0 3.0
   68    66    74    76   0.23400  1.0 3.0
   74    76    77    78   3.00000 -1.0 2.0
   74    76    77    79   2.00000 -1.0 2.0
   75    74    48    39   0.15000  1.0 3.0
   75    74    48    44   0.15000  1.0 3.0
   75    74    48    49   0.15000  1.0 3.0
   75    74    76    77   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    74    76    77  -0.25900  1.0 1.0
   48    74    76    77  -0.47000 -1.0 2.0
   48    74    76    77   0.11750  1.0 3.0
   76    74    48    39   0.62750  1.0 1.0
   76    74    48    39  -0.30950 -1.0 2.0
   76    74    48    39   0.27300  1.0 3.0
   76    74    48    44   0.62750  1.0 1.0
   76    74    48    44  -0.30950 -1.0 2.0
   76    74    48    44   0.27300  1.0 3.0
   76    74    48    49   0.23400  1.0 3.0
   76    77    79    80  -0.56150  1.0 1.0
   76    77    79    80   2.19150 -1.0 2.0
   76    77    79    83  -0.15000  1.0 1.0
   76    77    79    83   0.89550 -1.0 2.0
   76    77    79    83  -0.06900  1.0 3.0
   77    79    80    81   7.00000 -1.0 2.0
   77    79    80    82   7.00000 -1.0 2.0
   77    79    83    84   0.15000  1.0 3.0
   77    79    83    85   0.15000  1.0 3.0
   77    79    83    86   0.15000  1.0 3.0
   78    77    79    80   1.00000 -1.0 2.0
   78    77    79    83  -0.64400  1.0 1.0
   78    77    79    83   0.26850 -1.0 2.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   83    79    80    81   7.00000 -1.0 2.0
   83    79    80    82   7.00000 -1.0 2.0
   69    51    56    57   0.23400  1.0 3.0
   69    51    56    58   0.23400  1.0 3.0
   69    51   -56    61   0.62750  1.0 1.0
   69    51   -56    61  -0.30950 -1.0 2.0
   69    51   -56    61   0.27300  1.0 3.0
   69    51    59    60  -0.50000  1.0 1.0
   69    51    59    60  -0.73950 -1.0 2.0
   69    51    59    60   0.17150  1.0 3.0
   69    63    66    67   0.23400  1.0 3.0
   69    63    66    68   0.23400  1.0 3.0
   69    63    66    74   0.62750  1.0 1.0
   69    63    66    74  -0.30950 -1.0 2.0
   69    63    66    74   0.27300  1.0 3.0
   69    63    70    71   0.23400  1.0 3.0
   69    63    70    72   0.23400  1.0 3.0
   69    63    70    73   0.23400  1.0 3.0
   70    63    66    67   0.15000  1.0 3.0
   70    63    66    68   0.15000  1.0 3.0
   70    63    66    74   0.56750  1.0 1.0
   70    63    66    74  -0.07550 -1.0 2.0
   70    63    66    74   0.20000  1.0 3.0
   70    63    69    51   0.06250  1.0 1.0
   70    63    69    51  -0.01100 -1.0 2.0
   70    63    69    51   0.28050  1.0 3.0
   64    61    63    66   0.86500  1.0 1.0
   64    61    63    66  -0.17500 -1.0 2.0
   64    61    63    66   0.20800  1.0 3.0
   64    61    63    69   3.69350  1.0 1.0
   64    61    63    69  -1.82950 -1.0 2.0
   64    61    63    70   0.86500  1.0 1.0
   64    61    63    70  -0.17500 -1.0 2.0
   64    61    63    70   0.20800  1.0 3.0
   59    51    56    57   0.23400  1.0 3.0
   59    51    56    58   0.23400  1.0 3.0
   59    51    56    61   0.86500  1.0 1.0
   59    51    56    61  -0.17500 -1.0 2.0
   59    51    56    61   0.20800  1.0 3.0
   59    51    69    63  -0.70900  1.0 1.0
   59    51    69    63  -1.18000 -1.0 2.0
   59    51    69    63   0.91650  1.0 3.0
   52    50    51    56   0.46850  1.0 1.0
   52    50    51    56   0.08550 -1.0 2.0
   52    50    51    56   0.09800  1.0 3.0
   52    50    51    69   0.09700  1.0 1.0
   52    50    51    69   0.15600 -1.0 2.0
   52    50    51    69  -0.50800  1.0 3.0
   52    50    51    59   0.18000  1.0 1.0
   52    50    51    59   0.16450 -1.0 2.0
   52    50    51    59   0.04450  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    52    50    46   1.10000 -1.0 2.0
   76    79    77    78  10.50000 -1.0 2.0
   77    83    79    80  15.00000 -1.0 2.0
   81    82    80    79  15.00000 -1.0 2.0
END
