* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    163    260     479
    1     0 S   NP   _N1_     1    28.64192    96.03050   -23.32913
    2     1 S   H    _HN1     2     1.02783   102.54404   -87.45742
    3     1 S   H    _H1_     3     1.02951    75.36374    18.52614
    4     1 S   H    _H2_     4     1.02829    36.12807   169.30633
    5     1 S   CT   _CA1     5     1.50116   139.78506   122.93675
    6     5 S   HC   _HA1     6     1.09574   105.20301    86.38016
    7     5 S   CO3  _C1_     7     1.53792   112.42891   -33.84603
    8     7 S   O2Z  _O11     8     1.26371   115.00654   -43.12003
    9     7 S   O2Z  _O12     9     1.26242   114.94248   135.99730
   10     5 S   CT   _CB1    10     1.53081   107.41800  -155.65947
   11    10 S   HC   HB11    11     1.09831   109.37218   -49.95042
   12    10 S   HC   HB12    12     1.09814   110.44425    66.65291
   13    10 S   CT   _CG1    13     1.52984   112.60408  -170.95165
   14    13 S   HC   HG11    14     1.09587   110.58048   -65.08653
   15    13 S   HC   HG12    15     1.09668   109.83603    54.14076
   16    13 S   C    _CD1    16     1.51803   112.27406   174.56527
   17    16 S   O    _OE1    17     1.22729   123.30569     4.60925
   18    16 S   N    _N2_    18     1.38658   111.63236  -175.46197
   19    18 S   H    _HN2    19     1.01584   118.93861     1.74215
   20    18 S   CT1  _CA2    20     1.46177   123.37230   177.93048
   21    20 S   HC   _HA2    21     1.09737   109.36704    -0.19782
   22    20 S   C    _C2_    22     1.53520   108.58415  -115.65484
   23    22 S   O    _O2_    23     1.23054   122.28012  -148.16348
   24    20 S   CT   _CB2    32     1.53371   111.62433   121.79412
   25    24 S   HC   HB21    33     1.09585   110.04257    55.99563
   26    24 S   HC   HB22    34     1.09402   109.98881   174.95818
   27    22 S   N    _N3_    24     1.38333   113.65857    39.30629
   28    27 S   H    _HN3    25     1.01602   119.54992    -3.47192
   29    24 S   S    _SG2    35     1.82890   111.46084   -64.72784
   30    27 S   CT   _CA3    26     1.45288   123.19474   177.04733
   31    30 S   HC   HA31    27     1.09550   107.51747   -64.23914
   32    30 S   HC   HA32    28     1.09557   107.97007    52.18878
   33    29 S   CT   _C16    36     1.84408   100.00746   177.62323
   34    33 S   HC   _H5_    37     1.09856   103.67315   -38.27019
   35    30 S   CO3  _C3_    29     1.52954   114.09525   174.17536
   36    35 S   O2Z  _O31    30     1.26374   116.05943    -0.84881
   37    35 S   O2Z  _O32    31     1.26428   114.41427   179.21366
   38    33 S   CT   _C15    38     1.54027   111.14357    77.82858
   39    38 S   HC   _H4_    39     1.09592   110.60619   -39.25326
   40    38 S   CT   _C14    40     1.53287   111.24947    82.84400
   41    40 S   HC   _H15    41     1.09477   110.17455   -63.70463
   42    40 S   HC   _H16    42     1.09599   110.21784   179.50425
   43    38 S   OS   _O37    79     1.43788   106.49442  -156.55325
   44    40 S   CT   _C13    43     1.52310   109.29565    60.12249
   45    44 S   HC   _H3_    44     1.09908   108.33605    66.16375
   46    43 S   CT   _C18    80     1.42160   113.61235   158.22969
   47    46 S   HC   _H18    81     1.09342   108.11578  -177.64865
   48    46 S   HC   _H19    82     1.09282   111.12802    63.68535
   49    46 S   HC   _H20    83     1.09412   110.57445   -59.12117
   50    44 S   CT   _C12    45     1.53664   115.61777   -61.46484
   51    44 S   NP   _N4_    56     1.51108   111.29681  -175.89535
   52    51 S   H    _H7_    57     1.02903   111.54712   -38.11624
   53    50 S   CA   _C7_    46     1.56609   106.35922   170.36544
   54    51 S   CT   _C20    58     1.52013   106.36914    82.15060
   55    54 S   HC   _H23    59     1.09487   106.88701   -95.97010
   56    54 S   HC   _H24    60     1.09424   108.76327   145.93202
   57    33 S   CT   _C17    75     1.56444   114.81010  -151.80903
   58    57 S   HC   _H6_    76     1.09978   103.97653   149.50916
   59    53 S   CA   _C8_    47     1.40124   122.10851  -149.14474
   60    59 S   HA   _H12    48     1.08297   122.62607     0.93461
   61    50 S   CT   _C21    61     1.55767   103.35335   -79.14172
   62    61 S   HC   _H8_    62     1.09660   111.86478  -147.56077
   63    57 S   OH   _O36    77     1.42914   110.71542    36.54665
   64    63 S   HO   _H17    78     0.97247   107.91212    39.57797
   65    59 S   CA   _C9_    49     1.38139   118.59607  -178.78937
   66    61 S   OH   _O38    63     1.41540   113.31075    91.69279
   67    66 S   HO   _H25    64     0.97268   108.10526   173.72215
   68    65 S   CA   _C10    50     1.37852   122.82938     0.45542
   69    68 S   CA   _C5_    51     1.38335   121.21571     0.30647
   70    68 S   OS   _O34    70     1.36265   111.06108  -179.94405
   71    53 S   CA   _C6_    52     1.43638   119.28737    33.61444
   72    69 S   OS   _O33    65     1.36665   127.22707   179.97202
   73    70 S   CO   _C11    71     1.43815   102.03034    -0.03956
   74    73 S   HC   _H13    72     1.09599   108.72443  -121.00176
   75    73 S   HC   _H14    73     1.09601   108.73035   120.83630
   76    71 S   CT   _C19    53     1.51817   119.47258    -1.91489
   77    76 S   HC   _H21    54     1.09544   111.74382   128.43041
   78    76 S   HC   _H22    55     1.09625   109.86986  -110.50562
   79    72 S   CT   _C4_    66     1.42046   118.39858     0.78034
   80    79 S   HC   _H9_    67     1.09448   107.61750   179.40455
   81    79 S   HC   _H10    68     1.09456   111.22809    62.03254
   82    79 S   HC   _H11    69     1.09451   111.17956   -63.25474
   83    65 S   OS   _O35    74     1.36334   124.30979  -179.65736
  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  10   5   4   3
  16   8   2   1   1  16   7  14   6   5   6  19   8   3   2   1
   1  20  14   8  18  11   5   4   8   3  10   4   6   2   1   1
   9   1   1  10  12   6   5   5   3   2   1   2   1   1   3   2
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    57    58    63    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    50    53    61    57    58    63    64    43    46  
   38    39    40    50    57    58    63    43  
   36    37  
   37  
    0  
   39    40    41    42    44    45    50    51    57    58    63    43    46    47    48    49  
   40    41    42    44    57    43    46  
   41    42    44    45    50    53    76    51    52    54    61    57    43    46  
   42    44    45    50    51    43  
   44    45    50    51    43  
   46    47    48    49    44    57  
   45    50    53    59    71    76    77    78    51    52    54    55    56    61    62    66    57    58    63  
   50    53    76    51    52    54    61    57  
   47    48    49  
   48    49  
   49  
    0  
   53    59    60    65    69    71    76    51    52    54    55    56    61    62    66    67    57    58    63    64  
   52    54    55    56    61    62    66    57    53    69    71    76    77    78  
   54    55    56    61    71    76    77    78  
   59    60    65    68    69    71    76    77    78    54    61    62    66    72    83    57    58    63  
   55    56    61    62    66    67    57    71    76    77    78  
   56    61    62    66    76  
   61    62    66    76  
   58    63    64    59    61    62    66    71  
   63    64    61  
   60    65    68    69    71    76    61    70    73    83  
   65    68    71    83  
   62    66    67    63    71    76  
   66    67  
   64  
    0  
   68    69    71    72    70    73    74    75    83  
   67  
    0  
   69    71    76    72    79    70    73    74    75    83  
   71    76    77    78    72    79    80    81    82    70    73    83  
   73    74    75    83    71    72  
   76    77    78    72    79  
   79    80    81    82    76  
   74    75    83  
   75    83  
   83  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   52   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    51   367.000  1.471
   50    53   317.000  1.510
   50    61   268.000  1.529
   50    57   268.000  1.529
   53    59   469.000  1.400
   53    71   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    68   469.000  1.400
   65    83   450.000  1.364
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    71   469.000  1.400
   69    72   450.000  1.364
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    51   367.000  1.471
   51    52   434.000  1.010
   51    54   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    66   320.000  1.410
   66    67   553.000  0.945
   72    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   70    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    83   320.000  1.380
   57    58   340.000  1.090
   57    63   320.000  1.410
   63    64   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    57    50    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    63    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    43    46    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    44    51    80.00000  111.20000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    50    53    70.00000  112.17500
   44    50    61    58.35000  112.70000
   44    50    57    58.35000  112.70000
   44    51    76    75.00000  113.01200
   44    51    52    35.00000  109.50000
   44    51    54    75.00000  113.01200
   50    44    45    37.50000  110.70000
   50    53    59    70.00000  120.00000
   50    53    71    70.00000  120.00000
   50    61    54    58.35000  112.70000
   50    61    62    37.50000  110.70000
   50    61    66    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    63    50.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    65    63.00000  120.00000
   53    71    69    63.00000  120.00000
   53    71    76    70.00000  120.00000
   59    65    68    63.00000  120.00000
   59    65    83    70.00000  120.00000
   65    59    60    35.00000  120.00000
   65    68    69    63.00000  120.00000
   65    68    70    70.00000  120.00000
   65    83    73   100.00000  112.36700
   68    69    71    63.00000  120.00000
   68    69    72    70.00000  120.00000
   68    70    73   100.00000  112.36700
   69    71    76    70.00000  120.00000
   69    72    79    75.00000  111.00000
   71    53    59    63.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    51    75.00000  110.83300
   76    51    52    35.00000  109.50000
   76    51    54    75.00000  113.01200
   78    76    77    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    50    80.00000  111.20000
   51    76    77    35.00000  109.50000
   51    76    78    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    61    80.00000  111.20000
   54    51    52    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    50    53    70.00000  112.17500
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    66    67    55.00000  108.50000
   66    61    62    35.00000  109.50000
   72    69    71    70.00000  120.00000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   70    68    69    70.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    83    92.60000  111.55000
   75    73    74    33.00000  109.50000
   83    65    68    70.00000  120.00000
   83    73    74    35.00000  109.50000
   83    73    75    35.00000  109.50000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    50    53    70.00000  112.17500
   57    50    61    58.35000  112.70000
   57    63    64    55.00000  108.50000
   63    57    58    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    57    50   0.44750  1.0 1.0
   29    33    57    50  -0.17800 -1.0 2.0
   29    33    57    50   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    63   0.56750  1.0 1.0
   29    33    57    63  -0.07550 -1.0 2.0
   29    33    57    63   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    43    46   0.06250  1.0 1.0
   33    38    43    46  -0.01100 -1.0 2.0
   33    38    43    46   0.28050  1.0 3.0
   33    57    63    64  -0.11600  1.0 1.0
   33    57    63    64  -0.09450 -1.0 2.0
   33    57    63    64   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    57    50   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    63   0.23400  1.0 3.0
   38    33    57    50   0.56750  1.0 1.0
   38    33    57    50  -0.07550 -1.0 2.0
   38    33    57    50   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    63   0.86500  1.0 1.0
   38    33    57    63  -0.17500 -1.0 2.0
   38    33    57    63   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   0.56750  1.0 1.0
   38    40   -44    50  -0.07550 -1.0 2.0
   38    40   -44    50   0.20000  1.0 3.0
   38    40    44    51   1.36600  1.0 1.0
   38    40    44    51  -0.11450 -1.0 2.0
   38    40    44    51   0.24250  1.0 3.0
   38    43    46    47   0.37050  1.0 3.0
   38    43    46    48   0.37050  1.0 3.0
   38    43    46    49   0.37050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    43    46   0.37050  1.0 3.0
   40    38    43    46   0.06250  1.0 1.0
   40    38    43    46  -0.01100 -1.0 2.0
   40    38    43    46   0.28050  1.0 3.0
   40    44    50    53  -0.03700  1.0 1.0
   40    44    50    53   0.37200 -1.0 2.0
   40    44    50    53  -0.47300  1.0 3.0
   40    44    50    61   0.56750  1.0 1.0
   40    44    50    61  -0.07550 -1.0 2.0
   40    44    50    61   0.20000  1.0 3.0
   40    44    50    57   0.56750  1.0 1.0
   40    44    50    57  -0.07550 -1.0 2.0
   40    44    50    57   0.20000  1.0 3.0
   40    44    51    76   0.47100  1.0 1.0
   40    44    51    52   0.17350  1.0 3.0
   40    44    51    54   0.47100  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    51   0.19200  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    50   0.15000  1.0 3.0
   42    40    44    51   0.19200  1.0 3.0
   44    50    53    59   0.04150 -1.0 2.0
   44    50    53    71   0.04150 -1.0 2.0
   44    50   -61    54   0.56750  1.0 1.0
   44    50   -61    54  -0.07550 -1.0 2.0
   44    50   -61    54   0.20000  1.0 3.0
   44    50    61    62   0.15000  1.0 3.0
   44    50    61    66   0.86500  1.0 1.0
   44    50    61    66  -0.17500 -1.0 2.0
   44    50    61    66   0.20800  1.0 3.0
   44    50   -57    33   0.56750  1.0 1.0
   44    50   -57    33  -0.07550 -1.0 2.0
   44    50   -57    33   0.20000  1.0 3.0
   44    50    57    58   0.15000  1.0 3.0
   44    50    57    63   0.86500  1.0 1.0
   44    50    57    63  -0.17500 -1.0 2.0
   44    50    57    63   0.20800  1.0 3.0
   44    51    54    55   0.15000  1.0 3.0
   44    51    54    56   0.15000  1.0 3.0
   44    51   -54    61   0.47100  1.0 1.0
   45    44    50    53   0.43200  1.0 3.0
   45    44    50    61   0.15000  1.0 3.0
   45    44    50    57   0.15000  1.0 3.0
   45    44    51    76   0.15000  1.0 3.0
   45    44    51    52   0.13050  1.0 3.0
   45    44    51    54   0.15000  1.0 3.0
   50    44    51    76   0.47100  1.0 1.0
   50    44    51    52   0.17350  1.0 3.0
   50    44   -51    54   0.47100  1.0 1.0
   50    53    59    60   3.62500 -1.0 2.0
   50    53    59    65   3.62500 -1.0 2.0
   50    53    71    69   3.62500 -1.0 2.0
   50    53   -71    76   3.62500 -1.0 2.0
   50    61    66    67  -0.11600  1.0 1.0
   50    61    66    67  -0.09450 -1.0 2.0
   50    61    66    67   0.21250  1.0 3.0
   50    57    63    64  -0.11600  1.0 1.0
   50    57    63    64  -0.09450 -1.0 2.0
   50    57    63    64   0.21250  1.0 3.0
   53    50    61    54  -0.03700  1.0 1.0
   53    50    61    54   0.37200 -1.0 2.0
   53    50    61    54  -0.47300  1.0 3.0
   53    50    61    62   0.43200  1.0 3.0
   53    50    61    66   1.13150  1.0 1.0
   53    50    61    66  -1.01400 -1.0 2.0
   53    50    57    33  -0.03700  1.0 1.0
   53    50    57    33   0.37200 -1.0 2.0
   53    50    57    33  -0.47300  1.0 3.0
   53    50    57    58   0.43200  1.0 3.0
   53    50    57    63   1.13150  1.0 1.0
   53    50    57    63  -1.01400 -1.0 2.0
   53    59    65    68   3.62500 -1.0 2.0
   53    59    65    83   3.62500 -1.0 2.0
   53    71    76    77   0.00000  1.0 1.0
   53    71    76    78   0.00000  1.0 1.0
   53    71    76    51  -0.46400 -1.0 2.0
   59    53    71    69   3.62500 -1.0 2.0
   59    53    71    76   3.62500 -1.0 2.0
   59    65   -68    69   3.62500 -1.0 2.0
   59    65    68    70   3.62500 -1.0 2.0
   59    65    83    73   1.63200 -1.0 2.0
   60    59    65    68   3.62500 -1.0 2.0
   60    59    65    83   3.62500 -1.0 2.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    72   3.62500 -1.0 2.0
   65    68   -70    73   1.63200 -1.0 2.0
   68    65   -83    73   1.63200 -1.0 2.0
   68    69   -71    53   3.62500 -1.0 2.0
   68    69    71    76   3.62500 -1.0 2.0
   68    69    72    79   1.63200 -1.0 2.0
   68    70    73    74   0.08050  1.0 3.0
   68    70    73    75   0.08050  1.0 3.0
   68    70   -73    83  -0.25600  1.0 1.0
   68    70   -73    83  -0.40050 -1.0 2.0
   68    70   -73    83   0.34700  1.0 3.0
   69    68    70    73   1.63200 -1.0 2.0
   69    71    76    77   0.00000  1.0 1.0
   69    71    76    78   0.00000  1.0 1.0
   69    71    76    51  -0.46400 -1.0 2.0
   69    72    79    80   0.08050  1.0 3.0
   69    72    79    81   0.08050  1.0 3.0
   69    72    79    82   0.08050  1.0 3.0
   71    53    59    60   3.62500 -1.0 2.0
   71    53   -59    65   3.62500 -1.0 2.0
   71    69    72    79   1.63200 -1.0 2.0
   71    76   -51    44   0.03550  1.0 1.0
   71    76   -51    44   0.09800 -1.0 2.0
   71    76    51    52   0.17350  1.0 3.0
   71    76    51    54   0.03550  1.0 1.0
   71    76    51    54   0.09800 -1.0 2.0
   76    51    54    55   0.15000  1.0 3.0
   76    51    54    56   0.15000  1.0 3.0
   76    51    54    61   0.47100  1.0 1.0
   77    76    51    44   0.15000  1.0 3.0
   77    76    51    52   0.13050  1.0 3.0
   77    76    51    54   0.15000  1.0 3.0
   78    76    51    44   0.15000  1.0 3.0
   78    76    51    52   0.13050  1.0 3.0
   78    76    51    54   0.15000  1.0 3.0
   51    44   -50    53   1.24050  1.0 1.0
   51    44   -50    53   0.48100 -1.0 2.0
   51    44   -50    53   1.08150  1.0 3.0
   51    44   -50    61   1.36600  1.0 1.0
   51    44   -50    61  -0.11450 -1.0 2.0
   51    44   -50    61   0.24250  1.0 3.0
   51    44    50    57   1.36600  1.0 1.0
   51    44    50    57  -0.11450 -1.0 2.0
   51    44    50    57   0.24250  1.0 3.0
   51    54   -61    50   1.36600  1.0 1.0
   51    54   -61    50  -0.11450 -1.0 2.0
   51    54   -61    50   0.24250  1.0 3.0
   51    54    61    62   0.19200  1.0 3.0
   51    54    61    66   1.69300  1.0 1.0
   51    54    61    66  -0.48450 -1.0 2.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.13050  1.0 3.0
   52    51    54    61   0.17350  1.0 3.0
   54    61    66    67  -0.11600  1.0 1.0
   54    61    66    67  -0.09450 -1.0 2.0
   54    61    66    67   0.21250  1.0 3.0
   55    54    61    50   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    66   0.23400  1.0 3.0
   56    54    61    50   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    66   0.23400  1.0 3.0
   61    50    53    59   0.04150 -1.0 2.0
   61    50    53    71   0.04150 -1.0 2.0
   61    50    57    33   0.56750  1.0 1.0
   61    50    57    33  -0.07550 -1.0 2.0
   61    50    57    33   0.20000  1.0 3.0
   61    50    57    58   0.15000  1.0 3.0
   61    50    57    63   0.86500  1.0 1.0
   61    50    57    63  -0.17500 -1.0 2.0
   61    50    57    63   0.20800  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   72    69    71    53   3.62500 -1.0 2.0
   72    69    71    76   3.62500 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    73   -83    65  -0.25600  1.0 1.0
   70    73   -83    65  -0.40050 -1.0 2.0
   70    73   -83    65   0.34700  1.0 3.0
   74    73    83    65   0.08050  1.0 3.0
   75    73    83    65   0.08050  1.0 3.0
   83    65    68    69   3.62500 -1.0 2.0
   83    65   -68    70   3.62500 -1.0 2.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    43   0.62750  1.0 1.0
   57    33    38    43  -0.30950 -1.0 2.0
   57    33    38    43   0.27300  1.0 3.0
   57    50    53    59   0.04150 -1.0 2.0
   57    50    53    71   0.04150 -1.0 2.0
   57    50    61    54   0.56750  1.0 1.0
   57    50    61    54  -0.07550 -1.0 2.0
   57    50    61    54   0.20000  1.0 3.0
   57    50    61    62   0.15000  1.0 3.0
   57    50    61    66   0.86500  1.0 1.0
   57    50    61    66  -0.17500 -1.0 2.0
   57    50    61    66   0.20800  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    44   0.62750  1.0 1.0
   43    38    40    44  -0.30950 -1.0 2.0
   43    38    40    44   0.27300  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
   36    30    35    37  10.50000 -1.0 2.0
   59    71    53    50   4.00000 -1.0 2.0
   65    60    59    53   1.10000 -1.0 2.0
   68    83    65    59   4.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    72    69    68   4.00000 -1.0 2.0
   69    76    71    53   4.00000 -1.0 2.0
END
