* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    164    247     482
    1     0 S   NP   _N1_     1    28.55446    96.79613   -22.51152
    2     1 S   H    _HN1     2     1.02950    72.02169    16.50802
    3     1 S   H    _H1_     3     1.02828    41.44891   163.03407
    4     1 S   H    _H2_     4     1.02784    98.94206   -90.00501
    5     1 S   CT   _CA1     5     1.50124   145.12308   116.57703
    6     5 S   HC   _HA1     6     1.09575   105.18200    90.09678
    7     5 S   CO3  _C1_     7     1.53777   112.43959   -30.09248
    8     7 S   O2Z  _O11     8     1.26370   115.00305   -42.94676
    9     7 S   O2Z  _O12     9     1.26240   114.93854   136.11070
   10     5 S   CT   _CB1    10     1.53075   107.40939  -151.97176
   11    10 S   HC   HB11    11     1.09833   109.31650   -50.01147
   12    10 S   HC   HB12    12     1.09812   110.47190    66.57856
   13    10 S   CT   _CG1    13     1.52995   112.62741  -171.00523
   14    13 S   HC   HG11    14     1.09582   110.61980   -66.34294
   15    13 S   HC   HG12    15     1.09672   109.78843    52.88609
   16    13 S   C    _CD1    16     1.51812   112.21027   173.28245
   17    16 S   O    _OE1    17     1.22736   123.28033     6.93463
   18    16 S   N    _N2_    18     1.38658   111.68861  -173.04585
   19    18 S   H    _HN2    19     1.01578   118.94135     1.35263
   20    18 S   CT1  _CA2    20     1.46200   123.38392   177.05078
   21    20 S   HC   _HA2    21     1.09742   109.35987     3.03732
   22    20 S   C    _C2_    22     1.53595   108.57522  -112.37045
   23    22 S   O    _O2_    23     1.23059   122.29461  -147.85220
   24    20 S   CT   _CB2    32     1.53496   111.71812   125.06997
   25    24 S   HC   HB21    33     1.09525   109.59088    55.80760
   26    24 S   HC   HB22    34     1.09305   109.58790   174.60261
   27    22 S   N    _N3_    24     1.38332   113.72308    39.60468
   28    27 S   H    _HN3    25     1.01578   119.58646    -3.34006
   29    24 S   S    _SG2    35     1.83067   111.14181   -64.57619
   30    27 S   CT   _CA3    26     1.45282   123.20894   177.12506
   31    30 S   HC   HA31    27     1.09549   107.50954   -64.59031
   32    30 S   HC   HA32    28     1.09556   107.98738    51.84943
   33    29 S   CT   _C11    36     1.88297   102.78354  -170.54722
   34    30 S   CO3  _C3_    29     1.52958   114.07931   173.84467
   35    34 S   O2Z  _O31    30     1.26377   116.07033    -0.74072
   36    34 S   O2Z  _O32    31     1.26429   114.41104   179.32045
   37    33 S   CT   _C10    37     1.55651   106.58541    76.84115
   38    37 S   HC   _H12    38     1.09593   110.89555    61.74093
   39    37 S   HC   _H13    39     1.09844   108.20449   -49.80423
   40    33 S   CT   _C12    58     1.56896   106.82027  -161.05135
   41    40 S   HC   _H6_    59     1.08693   108.30587   173.13070
   42    33 S   CT   _C17    87     1.54022   109.74708   -43.06275
   43    42 S   HC   _H20    88     1.09581   112.17986   -50.60730
   44    42 S   HC   _H21    89     1.09588   110.86930  -170.06190
   45    42 S   HC   _H22    90     1.09524   112.03177    71.19613
   46    37 S   CT   _C9_    40     1.54794   120.35028  -169.70992
   47    46 S   HC   _H5_    41     1.09803   108.82774    66.05548
   48    40 S   OH   _O35    60     1.43644   109.57849    60.59436
   49    48 S   HO   _H19    61     0.97165   108.21840   173.80261
   50    46 S   CT   _C8_    42     1.54599   117.36282   -56.44695
   51    50 S   HC   _H4_    43     1.09285   108.90065    67.96984
   52    46 S   OS   _O36    76     1.45699   105.91396  -176.97030
   53    50 S   CM   _C22    44     1.49688   111.45247  -172.33745
   54    52 S   CO4  _C18    77     1.35950   118.18411   -88.92142
   55    54 S   O    _O37    78     1.22223   126.00826     0.22294
   56    53 S   CO4  _C24    45     1.47418   109.39151   102.70640
   57    56 S   O    _O38    46     1.21721   127.08282  -170.57902
   58    53 S   CM   _C23    73     1.33557   128.22876   -78.80778
   59    58 S   HC   _H28    74     1.08497   120.78458     0.89962
   60    58 S   HC   _H29    75     1.08512   121.71453  -179.19570
   61    54 S   CM   _C19    79     1.48953   109.41188  -179.94405
   62    56 S   OS   _O39    47     1.36267   106.98039     8.57964
   63    61 S   CM   _C20    80     1.34145   117.39280  -178.79374
   64    63 S   HC   _H23    81     1.08557   120.95209   179.98022
   65    63 S   HC   _H24    82     1.08537   122.49166    -0.01978
   66    61 S   CT   _C21    83     1.49790   120.16611     1.12709
   67    66 S   HC   _H25    84     1.09499   110.66568   -59.14737
   68    66 S   HC   _H26    85     1.09456   110.54869    61.41987
   69    66 S   HC   _H27    86     1.09538   111.87949  -178.88671
   70    50 S   CT   _C7_    48     1.53242   114.91962   -58.75610
   71    70 S   HC   _H3_    49     1.08776   113.12107    18.42636
   72    70 S   CM   _C6_    50     1.50922   113.14659   145.66274
   73    72 S   HC   _H11    51     1.09169   112.72895    77.60712
   74    72 S   CM   _C5_    52     1.35011   130.81949  -104.02589
   75    74 S   CT   _C14    53     1.52506   130.07950     3.46204
   76    75 S   HC   _H7_    54     1.09863   106.52205   144.96034
   77    74 S   CT   _C4_    69     1.51704   117.72261  -176.62153
   78    77 S   HC   _H8_    70     1.09510   110.29990   122.11571
   79    77 S   HC   _H9_    71     1.09517   112.83996     2.09312
   80    77 S   HC   _H10    72     1.09517   110.19432  -117.99092
   81    75 S   CT   _C13    55     1.54247   120.52342    23.57499
   82    81 S   HC   _H14    56     1.09860   107.16889   177.54075
   83    81 S   HC   _H15    57     1.08953   108.58157   -70.49485
   84    75 S   OS   _O33    62     1.45153   105.97613   -99.23022
   85    84 S   CO4  _C15    63     1.36258   117.84781  -143.58797
   86    85 S   O    _O34    64     1.22301   126.45710     0.04423
   87    85 S   CT   _C16    65     1.49835   109.47373  -179.92867
   88    87 S   HC   _H16    66     1.09291   109.82869   -60.85214
   89    87 S   HC   _H17    67     1.09379   109.36424  -179.88986
   90    87 S   HC   _H18    68     1.09290   109.82526    61.06186
  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
  19   2   1   1  18   7   6  15   7   6   2   1   1  14   6   5
   1  15   8   7   9   9   3   8   3   4   1   1   7   5   6   2
   1   3   2   1   1   6   3  10   3  11  12   6   5   2   1   1
   4   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    81    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    75    81    82    83    40    41    48    49    52    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    53    70    81    40    41    48    52    54    42    43    44    45  
   39    46    47    50    40    52    42  
   46    47    50    40    52    42  
   41    48    49    84    42    43    44    45    46    74    75    76    81    82    83  
   48    49    42    75    81    82    83  
   43    44    45    46    48    81  
   44    45  
   45  
    0  
   47    50    51    53    56    62    70    71    72    58    52    54    55    61  
   50    51    53    70    52    54  
   49    75    81    82    83  
   81  
   51    53    56    57    62    70    71    72    73    74    58    59    60    52    54  
   53    56    62    70    71    72    58    52  
   54    55    61    63    66    53    70  
   56    57    62    70    71    72    58    59    60  
   55    61    63    64    65    66    67    68    69  
   61    63    66  
   57    62    70    71    72    58    59    60  
   62    70    58  
   59    60    62    70  
   60  
    0  
   63    64    65    66    67    68    69  
   70    71    72    73    74  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    77  
   72    73    74  
   73    74    75    76    81    84    77    78    79    80  
   74    75    77  
   75    76    81    82    83    84    85    77    78    79    80  
   76    81    82    83    84    85    86    87    77    78    79    80  
   81    82    83    84    85    77  
   78    79    80    81    84  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84  
   84  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    70   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    70   320.000  1.410
   70    71   340.000  1.090
   70    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    77   317.000  1.510
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    84   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   84    85   214.000  1.327
   85    86   570.000  1.229
   85    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   320.000  1.462
   61    63   549.000  1.340
   61    66   317.000  1.510
   63    64   340.000  1.080
   63    65   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    58.35000  112.70000
   37    46    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    70.00000  112.02700
   46    50    70    58.35000  112.70000
   46    52    54    83.00000  116.90000
   50    46    47    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    70    62    50.00000  109.50000
   50    70    71    37.50000  110.70000
   50    70    72    70.00000  112.02700
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    62    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    62    70    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    70    71    35.00000  109.50000
   62    70    72    85.00000  110.90400
   70    50    51    37.50000  110.70000
   70    50    53    70.00000  112.02700
   70    72    73    35.00000  117.00000
   70    72    74    70.00000  124.00000
   72    70    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    77    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    81    70.00000  112.02700
   74    75    84    85.00000  110.90400
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    40    58.35000  112.70000
   75    84    85    83.00000  116.90000
   81    75    76    37.50000  110.70000
   81    40    41    37.50000  110.70000
   81    40    48    50.00000  109.50000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   84    75    76    35.00000  109.50000
   84    75    81    50.00000  109.50000
   84    85    86    83.00000  123.40000
   84    85    87    81.00000  111.40000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    35.00000  109.50000
   87    85    86    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    74    75    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    90.00000  111.29400
   54    61    63    65.00000  118.96000
   54    61    66    65.00000  116.34900
   61    54    55    80.00000  123.72100
   61    63    64    35.00000  120.00000
   61    63    65    35.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   65    63    64    35.00000  117.00000
   66    61    63    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.56750  1.0 1.0
   33    37    46    50  -0.07550 -1.0 2.0
   33    37    46    50   0.20000  1.0 3.0
   33    37    46    52   0.62750  1.0 1.0
   33    37    46    52  -0.30950 -1.0 2.0
   33    37    46    52   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.15000  1.0 3.0
   37    46    50    53   0.34400  1.0 1.0
   37    46    50    53   0.09450 -1.0 2.0
   37    46    50    53   0.11100  1.0 3.0
   37    46    50    70   0.56750  1.0 1.0
   37    46    50    70  -0.07550 -1.0 2.0
   37    46    50    70   0.20000  1.0 3.0
   37    46    52    54  -0.25900  1.0 1.0
   37    46    52    54  -0.47000 -1.0 2.0
   37    46    52    54   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    52   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    52   0.23400  1.0 3.0
   46    50    53    56   0.09700  1.0 1.0
   46    50    53    56   0.15600 -1.0 2.0
   46    50    53    56  -0.50800  1.0 3.0
   46    50    53    58   0.09850  1.0 1.0
   46    50    53    58   0.15250 -1.0 2.0
   46    50    53    58  -0.50650  1.0 3.0
   46    50    70    62   0.62750  1.0 1.0
   46    50    70    62  -0.30950 -1.0 2.0
   46    50    70    62   0.27300  1.0 3.0
   46    50    70    71   0.15000  1.0 3.0
   46    50    70    72   0.34400  1.0 1.0
   46    50    70    72   0.09450 -1.0 2.0
   46    50    70    72   0.11100  1.0 3.0
   46    52    54    55   3.00000 -1.0 2.0
   46    52    54    61   2.00000 -1.0 2.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    70   0.15000  1.0 3.0
   47    46    52    54   0.08050  1.0 3.0
   50    46    52    54  -0.25900  1.0 1.0
   50    46    52    54  -0.47000 -1.0 2.0
   50    46    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    62  -0.15000  1.0 1.0
   50    53   -56    62   0.89550 -1.0 2.0
   50    53   -56    62  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    70    72    73   0.00000  1.0 1.0
   50    70    72    74   0.09850  1.0 1.0
   50    70    72    74   0.15250 -1.0 2.0
   50    70    72    74  -0.50650  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    70    62   0.23400  1.0 3.0
   51    50    70    71   0.15000  1.0 3.0
   51    50    70    72   0.15000  1.0 3.0
   53    50   -70    62   0.61850  1.0 1.0
   53    50   -70    62  -0.22750 -1.0 2.0
   53    50   -70    62   0.15300  1.0 3.0
   53    50    70    71   0.15000  1.0 3.0
   53    50    70    72   0.31000  1.0 1.0
   53    50    70    72   0.14700 -1.0 2.0
   53    50    70    72   0.07550  1.0 3.0
   53    56   -62    70   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    62   -70    50  -0.25900  1.0 1.0
   56    62   -70    50  -0.47000 -1.0 2.0
   56    62   -70    50   0.11750  1.0 3.0
   56    62    70    71   0.08050  1.0 3.0
   56    62    70    72  -0.82050  1.0 1.0
   56    62    70    72   0.00600 -1.0 2.0
   56    62    70    72   0.04400  1.0 3.0
   57    56    62    70   3.00000 -1.0 2.0
   62    70    72    73   0.00000  1.0 1.0
   62    70    72    74   0.39000  1.0 1.0
   62    70    72    74  -0.05800 -1.0 2.0
   62    70    72    74  -0.55150  1.0 3.0
   70    50   -53    56   0.09700  1.0 1.0
   70    50   -53    56   0.15600 -1.0 2.0
   70    50   -53    56  -0.50800  1.0 3.0
   70    50    53    58   0.09850  1.0 1.0
   70    50    53    58   0.15250 -1.0 2.0
   70    50    53    58  -0.50650  1.0 3.0
   70    72    74    75   7.00000 -1.0 2.0
   70    72    74    77   7.00000 -1.0 2.0
   71    70    72    73   0.33100  1.0 3.0
   71    70    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    81   0.09850  1.0 1.0
   72    74    75    81   0.15250 -1.0 2.0
   72    74    75    81  -0.50650  1.0 3.0
   72    74    75    84   0.39000  1.0 1.0
   72    74    75    84  -0.05800 -1.0 2.0
   72    74    75    84  -0.55150  1.0 3.0
   72    74    77    78   0.00000  1.0 1.0
   72    74    77    79   0.00000  1.0 1.0
   72    74    77    80   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    77   7.00000 -1.0 2.0
   74    75    81    82   0.15000  1.0 3.0
   74    75    81    83   0.15000  1.0 3.0
   74    75    81    40   0.34400  1.0 1.0
   74    75    81    40   0.09450 -1.0 2.0
   74    75    81    40   0.11100  1.0 3.0
   74    75    84    85  -0.82050  1.0 1.0
   74    75    84    85   0.00600 -1.0 2.0
   74    75    84    85   0.04400  1.0 3.0
   75    74    77    78   0.34800  1.0 3.0
   75    74    77    79   0.34800  1.0 3.0
   75    74    77    80   0.34800  1.0 3.0
   75    81    40    33   0.56750  1.0 1.0
   75    81    40    33  -0.07550 -1.0 2.0
   75    81    40    33   0.20000  1.0 3.0
   75    81    40    41   0.15000  1.0 3.0
   75    81    40    48   0.86500  1.0 1.0
   75    81    40    48  -0.17500 -1.0 2.0
   75    81    40    48   0.20800  1.0 3.0
   75    84    85    86   3.00000 -1.0 2.0
   75    84    85    87   1.63150  1.0 1.0
   75    84    85    87   2.92000 -1.0 2.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    40   0.15000  1.0 3.0
   76    75    84    85   0.08050  1.0 3.0
   81    75    84    85  -0.25900  1.0 1.0
   81    75    84    85  -0.47000 -1.0 2.0
   81    75    84    85   0.11750  1.0 3.0
   81    40    48    49  -0.11600  1.0 1.0
   81    40    48    49  -0.09450 -1.0 2.0
   81    40    48    49   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    48   0.23400  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.15000  1.0 3.0
   83    81    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   84    75    81    82   0.23400  1.0 3.0
   84    75    81    83   0.23400  1.0 3.0
   84    75    81    40   0.62750  1.0 1.0
   84    75    81    40  -0.30950 -1.0 2.0
   84    75    81    40   0.27300  1.0 3.0
   84    85    87    88   0.00000  1.0 1.0
   84    85    87    89   0.00000  1.0 1.0
   84    85    87    90   0.00000  1.0 1.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   86    85    87    90   0.00000  1.0 1.0
   77    74    75    76   0.34800  1.0 3.0
   77    74    75    81   0.46850  1.0 1.0
   77    74    75    81   0.08550 -1.0 2.0
   77    74    75    81   0.09800  1.0 3.0
   77    74    75    84   0.09700  1.0 1.0
   77    74    75    84   0.15600 -1.0 2.0
   77    74    75    84  -0.50800  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    62  -0.56150  1.0 1.0
   58    53    56    62   2.19150 -1.0 2.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    53   0.61850  1.0 1.0
   52    46    50    53  -0.22750 -1.0 2.0
   52    46    50    53   0.15300  1.0 3.0
   52    46    50    70   0.62750  1.0 1.0
   52    46    50    70  -0.30950 -1.0 2.0
   52    46    50    70   0.27300  1.0 3.0
   52    54    61    63  -0.56150  1.0 1.0
   52    54    61    63   2.19150 -1.0 2.0
   52    54    61    66  -0.15000  1.0 1.0
   52    54    61    66   0.89550 -1.0 2.0
   52    54    61    66  -0.06900  1.0 3.0
   54    61    63    64   7.00000 -1.0 2.0
   54    61    63    65   7.00000 -1.0 2.0
   54    61    66    67   0.15000  1.0 3.0
   54    61    66    68   0.15000  1.0 3.0
   54    61    66    69   0.15000  1.0 3.0
   55    54    61    63   1.00000 -1.0 2.0
   55    54    61    66  -0.64400  1.0 1.0
   55    54    61    66   0.26850 -1.0 2.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   63    61    66    69   0.00000  1.0 1.0
   66    61    63    64   7.00000 -1.0 2.0
   66    61    63    65   7.00000 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  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
   50    56    53    58   1.10000 -1.0 2.0
   53    62    56    57  10.50000 -1.0 2.0
   70    73    72    74   1.10000 -1.0 2.0
   75    77    74    72   1.10000 -1.0 2.0
   84    87    85    86  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
   54    66    61    63  15.00000 -1.0 2.0
   64    65    63    61  15.00000 -1.0 2.0
END
