* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    252     469
    1     0 S   NP   _N1_     1    28.80278    95.41510   -22.16761
    2     1 S   H    _HN1     2     1.02833    34.01032   155.28662
    3     1 S   H    _H1_     3     1.02783    94.19460   -88.51606
    4     1 S   H    _H2_     4     1.02955    82.71606    19.47717
    5     1 S   CT   _CA1     5     1.50095   143.37964   134.17414
    6     5 S   HC   _HA1     6     1.09553   105.28644    71.70922
    7     5 S   CO3  _C1_     7     1.53805   112.47828   -48.78684
    8     7 S   O2Z  _O11     8     1.26360   115.09288   -39.78655
    9     7 S   O2Z  _O12     9     1.26274   115.12250   139.72392
   10     5 S   CT   _CB1    10     1.53115   107.47753  -169.96199
   11    10 S   HC   HB11    11     1.09821   109.72014   -46.95186
   12    10 S   HC   HB12    12     1.09822   110.27129    69.75670
   13    10 S   CT   _CG1    13     1.52960   112.54021  -167.87418
   14    13 S   HC   HG11    14     1.09490   110.63813   -59.05971
   15    13 S   HC   HG12    15     1.09651   109.94307    60.06542
   16    13 S   C    _CD1    16     1.51746   112.35697  -179.47251
   17    16 S   O    _OE1    17     1.22705   123.35522    -3.94332
   18    16 S   N    _N2_    18     1.38595   111.49622   176.15152
   19    18 S   H    _HN2    19     1.01600   118.93691     2.30851
   20    18 S   CT1  _CA2    20     1.46199   123.48999  -179.83449
   21    20 S   HC   _HA2    21     1.09724   109.46154    -6.33376
   22    20 S   C    _C2_    22     1.53408   108.50857  -121.97608
   23    22 S   O    _O2_    23     1.23031   122.32566  -148.61821
   24    20 S   CT   _CB2    32     1.53271   111.08757   115.75834
   25    24 S   HC   HB21    33     1.09532   109.74311    55.36946
   26    24 S   HC   HB22    34     1.09508   110.81022   173.80992
   27    22 S   N    _N3_    24     1.38342   113.53337    38.85765
   28    27 S   H    _HN3    25     1.01631   119.49729    -3.54911
   29    24 S   S    _SG2    35     1.82936   111.48829   -67.01989
   30    27 S   CT   _CA3    26     1.45292   123.17581   177.01784
   31    30 S   HC   HA31    27     1.09550   107.49521   -64.61303
   32    30 S   HC   HA32    28     1.09556   107.99365    51.81627
   33    29 S   CT   _C22    36     1.83668    99.59723   147.99097
   34    33 S   HC   _H3_    37     1.09702   108.51077    38.37425
   35    30 S   CO3  _C3_    29     1.52945   114.09306   173.79303
   36    35 S   O2Z  _O31    30     1.26373   116.03808    -1.69200
   37    35 S   O2Z  _O32    31     1.26426   114.42201   178.38553
   38    33 S   CT   _C16    38     1.54147   109.45777   -81.56758
   39    38 S   HC   _H37    39     1.09592   111.35241    50.65273
   40    33 S   OS   _O25    71     1.43234   110.43038   158.66591
   41    38 S   CO4  _C9_    40     1.51048   108.35966   168.57875
   42    41 S   O    _O21    41     1.22249   124.90041   -70.16744
   43    40 S   CO   _C13    72     1.42223   113.46908   -91.14775
   44    43 S   HC   _H34    73     1.09585   111.50586    49.78534
   45    41 S   OS   _O23    42     1.36375   111.06842   108.28262
   46    43 S   CM   _C4_    74     1.47682   108.51026   172.15250
   47    46 S   HC   _H27    75     1.08067   123.81481   -60.62705
   48    45 S   CT   _C14    43     1.42596   110.44870     0.21580
   49    48 S   HC   _H35    44     1.09379   109.90178  -107.26851
   50    46 S   CM   _C5_    76     1.33039   111.47678   119.26463
   51    48 S   CM   _C7_    45     1.49589   110.68384   126.82987
   52    50 S   CO4  _C8_    77     1.46734   106.37765     0.00000
   53    52 S   O    _O20    78     1.21872   125.50542  -179.81443
   54    50 S   CT   _C19    80     1.47820   129.99660  -179.80617
   55    54 S   HC   _H39    81     1.09449   110.52400   119.95801
   56    54 S   HC   _H40    82     1.09480   111.42624    -0.01978
   57    54 S   HC   _H41    83     1.09447   110.52812  -120.02055
   58    51 S   CM   _C6_    46     1.34168   110.98952  -101.60449
   59    43 S   OS   _O22    79     1.43186   112.47001   -73.86554
   60    58 S   CT   _C10    47     1.49403   112.13188    -0.49178
   61    60 S   HC   _H28    48     1.09497   110.62403   109.59425
   62    60 S   HC   _H29    49     1.09417   111.25712  -129.49021
   63    58 S   CT   _C15    52     1.49386   124.75447   178.13691
   64    63 S   HC   _H36    53     1.09623   109.37972   108.25974
   65    38 S   CT   _C17    50     1.52455   115.55904   -77.27692
   66    65 S   HC   _H38    51     1.09711   113.10857    24.97294
   67    63 S   CT   _C11    54     1.53330   111.67977   -12.91631
   68    67 S   HC   _H30    55     1.09758   110.40697   -81.24094
   69    67 S   HC   _H31    56     1.09716   109.12919   163.50507
   70    63 S   OH   _O24    69     1.42351   110.38297  -132.66679
   71    70 S   HO   _H49    70     0.97613   107.38838   -78.65645
   72    67 S   CT   _C12    57     1.52990   111.70584    41.81554
   73    72 S   HC   _H32    58     1.09902   108.14544    62.44023
   74    72 S   HC   _H33    59     1.09724   109.36869   177.68413
   75    51 S   CT   _C18    60     1.51311   124.64883    77.50441
   76    75 S   CT   _C20    61     1.53971   111.31996    47.63026
   77    76 S   HC   _H42    62     1.09627   110.96230   174.97687
   78    76 S   HC   _H43    63     1.09629   111.37224    55.03520
   79    76 S   HC   _H44    64     1.09588   111.77688   -65.45350
   80    75 S   CT   _C21    65     1.54028   109.58303   -72.58879
   81    80 S   HC   _H45    66     1.09610   111.04647  -174.97141
   82    80 S   HC   _H46    67     1.09601   111.51382    65.65637
   83    80 S   HC   _H47    68     1.09563   111.91265   -54.64657
  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   8   5   4   3
  15   6   2   1   1  15   8   9   8   3   8   5   8   9   4  13
   6   7  22   6   2   4   2   1   1  16   1   9   4   3  11   6
   2   1  10   6   5   2   1  11   4   3   8   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    65    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    60    65    66    40    43    44    46    59  
   38    39    41    65    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    58    60    61    62    65    66    40    43  
   41    42    45    48    60    65    66    40  
   43    44    46    47    50    52    59    41    65  
   42    45    48    49    51    60    65    66  
   45    48    65  
   44    46    47    50    52    53    59    54  
   46    47    50    52    59  
   48    49    51    58    60    65    66    75  
   47    50    52    53    59    54    55    56    57  
   50    52    59    54  
   49    51    58    60    61    62    65    66    63    72    75    76    80  
   51    58    60    65    66    75  
   52    53    59    54    55    56    57  
   58    60    61    62    65    66    63    64    67    72    73    74    75    76    77    78    79    80    81    82    83    70  
   53    59    54    55    56    57  
   59    54  
   55    56    57    59  
   56    57  
   57  
    0  
   60    61    62    65    66    63    64    67    68    69    72    75    76    80    70    71  
    0  
   61    62    65    66    63    64    67    75    70  
   62    65    66    63  
   65    66    63  
   64    67    68    69    72    73    74    75    70    71    65  
   67    68    69    72    70    71  
   66    75  
    0  
   68    69    72    73    74    75    76    80    70    71  
   69    72    73    74    75    70  
   72    73    74    75    70  
   71    72  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    65   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    65   268.000  1.529
   51    58   549.000  1.340
   51    75   317.000  1.510
   58    60   317.000  1.510
   58    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   70    71   553.000  0.945
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    59   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    52   320.000  1.462
   50    54   317.000  1.510
   52    53   570.000  1.229
   52    59   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    65    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    65    48    58.35000  112.70000
   38    65    60    58.35000  112.70000
   38    65    66    37.50000  110.70000
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    85.00000  110.90400
   45    48    65    50.00000  109.50000
   48    51    58    70.00000  124.00000
   48    51    75    65.00000  117.92700
   48    65    60    58.35000  112.70000
   48    65    66    37.50000  110.70000
   51    48    49    35.00000  109.50000
   51    58    60    70.00000  124.00000
   51    58    63    70.00000  124.00000
   51    75    72    70.00000  112.02700
   51    75    76    70.00000  112.02700
   51    75    80    70.00000  112.02700
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    65    70.00000  112.02700
   58    63    64    35.00000  109.50000
   58    63    67    70.00000  112.02700
   58    63    70    90.00000  110.39200
   60    65    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   65    38    39    37.50000  110.70000
   65    38    41    63.00000  111.10000
   65    48    49    37.50000  110.70000
   65    48    51    70.00000  112.02700
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   63    58    60    65.00000  117.92700
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    58.35000  112.70000
   63    70    71    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    51    58    70.00000  124.00000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    67    50.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    59    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    59    52    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    52    65.00000  118.96000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    59    90.00000  111.29400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   59    43    44    35.00000  109.50000
   59    43    46    85.00000  110.90400
   59    52    53    83.00000  123.40000
   54    50    52    65.00000  116.34900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    65   0.44750  1.0 1.0
   29    33    38    65  -0.17800 -1.0 2.0
   29    33    38    65   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    65    48   0.56750  1.0 1.0
   33    38    65    48  -0.07550 -1.0 2.0
   33    38    65    48   0.20000  1.0 3.0
   33    38    65    60   0.56750  1.0 1.0
   33    38    65    60  -0.07550 -1.0 2.0
   33    38    65    60   0.20000  1.0 3.0
   33    38    65    66   0.15000  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    59  -0.53350  1.0 1.0
   33    40    43    59  -0.78350 -1.0 2.0
   33    40    43    59   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    65   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    65    48   0.15000  1.0 3.0
   39    38    65    60   0.15000  1.0 3.0
   39    38    65    66   0.15000  1.0 3.0
   41    38   -65    48  -0.95700  1.0 1.0
   41    38   -65    48  -0.18200 -1.0 2.0
   41    38   -65    48   0.29450  1.0 3.0
   41    38    65    60  -0.95700  1.0 1.0
   41    38    65    60  -0.18200 -1.0 2.0
   41    38    65    60   0.29450  1.0 3.0
   41    38    65    66  -0.11250  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    51  -0.82050  1.0 1.0
   41    45    48    51   0.00600 -1.0 2.0
   41    45    48    51   0.04400  1.0 3.0
   41    45   -48    65  -0.25900  1.0 1.0
   41    45   -48    65  -0.47000 -1.0 2.0
   41    45   -48    65   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48    51    58   0.39000  1.0 1.0
   45    48    51    58  -0.05800 -1.0 2.0
   45    48    51    58  -0.55150  1.0 3.0
   45    48    51    75   0.09700  1.0 1.0
   45    48    51    75   0.15600 -1.0 2.0
   45    48    51    75  -0.50800  1.0 3.0
   45    48   -65    38   0.62750  1.0 1.0
   45    48   -65    38  -0.30950 -1.0 2.0
   45    48   -65    38   0.27300  1.0 3.0
   45    48    65    60   0.62750  1.0 1.0
   45    48    65    60  -0.30950 -1.0 2.0
   45    48    65    60   0.27300  1.0 3.0
   45    48    65    66   0.23400  1.0 3.0
   48    51   -58    60   7.00000 -1.0 2.0
   48    51    58    63   7.00000 -1.0 2.0
   48    51    75    72   0.46850  1.0 1.0
   48    51    75    72   0.08550 -1.0 2.0
   48    51    75    72   0.09800  1.0 3.0
   48    51    75    76   0.46850  1.0 1.0
   48    51    75    76   0.08550 -1.0 2.0
   48    51    75    76   0.09800  1.0 3.0
   48    51    75    80   0.46850  1.0 1.0
   48    51    75    80   0.08550 -1.0 2.0
   48    51    75    80   0.09800  1.0 3.0
   49    48    51    58   0.00000  1.0 1.0
   49    48    51    75   0.34800  1.0 3.0
   49    48    65    38   0.15000  1.0 3.0
   49    48    65    60   0.15000  1.0 3.0
   49    48    65    66   0.15000  1.0 3.0
   51    48    65    38   0.34400  1.0 1.0
   51    48    65    38   0.09450 -1.0 2.0
   51    48    65    38   0.11100  1.0 3.0
   51    48   -65    60   0.34400  1.0 1.0
   51    48   -65    60   0.09450 -1.0 2.0
   51    48   -65    60   0.11100  1.0 3.0
   51    48    65    66   0.15000  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   51    58   -60    65   0.09850  1.0 1.0
   51    58   -60    65   0.15250 -1.0 2.0
   51    58   -60    65  -0.50650  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    67   0.09850  1.0 1.0
   51    58    63    67   0.15250 -1.0 2.0
   51    58    63    67  -0.50650  1.0 3.0
   51    58    63    70   0.67800  1.0 1.0
   51    58    63    70   0.47050 -1.0 2.0
   51    58    63    70  -0.62500  1.0 3.0
   51    75    76    77   0.15000  1.0 3.0
   51    75    76    78   0.15000  1.0 3.0
   51    75    76    79   0.15000  1.0 3.0
   51    75    80    81   0.15000  1.0 3.0
   51    75    80    82   0.15000  1.0 3.0
   51    75    80    83   0.15000  1.0 3.0
   58    51    75    72   0.09850  1.0 1.0
   58    51    75    72   0.15250 -1.0 2.0
   58    51    75    72  -0.50650  1.0 3.0
   58    51    75    76   0.09850  1.0 1.0
   58    51    75    76   0.15250 -1.0 2.0
   58    51    75    76  -0.50650  1.0 3.0
   58    51    75    80   0.09850  1.0 1.0
   58    51    75    80   0.15250 -1.0 2.0
   58    51    75    80  -0.50650  1.0 3.0
   58    60    65    38   0.34400  1.0 1.0
   58    60    65    38   0.09450 -1.0 2.0
   58    60    65    38   0.11100  1.0 3.0
   58    60   -65    48   0.34400  1.0 1.0
   58    60   -65    48   0.09450 -1.0 2.0
   58    60   -65    48   0.11100  1.0 3.0
   58    60    65    66   0.15000  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    69   0.15000  1.0 3.0
   58    63   -67    72   0.34400  1.0 1.0
   58    63   -67    72   0.09450 -1.0 2.0
   58    63   -67    72   0.11100  1.0 3.0
   58    63    70    71  -0.07800  1.0 1.0
   58    63    70    71  -0.21500 -1.0 2.0
   58    63    70    71  -0.03150  1.0 3.0
   60    58    63    64   0.34800  1.0 3.0
   60    58    63    67   0.46850  1.0 1.0
   60    58    63    67   0.08550 -1.0 2.0
   60    58    63    67   0.09800  1.0 3.0
   60    58    63    70   0.18000  1.0 1.0
   60    58    63    70   0.16450 -1.0 2.0
   60    58    63    70   0.04450  1.0 3.0
   61    60    65    38   0.15000  1.0 3.0
   61    60    65    48   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   62    60    65    38   0.15000  1.0 3.0
   62    60    65    48   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   65    38    41    42   0.30150 -1.0 2.0
   65    38   -41    45   0.36750  1.0 3.0
   65    48   -51    58   0.09850  1.0 1.0
   65    48   -51    58   0.15250 -1.0 2.0
   65    48   -51    58  -0.50650  1.0 3.0
   65    48    51    75   0.46850  1.0 1.0
   65    48    51    75   0.08550 -1.0 2.0
   65    48    51    75   0.09800  1.0 3.0
   63    58    60    61   0.34800  1.0 3.0
   63    58    60    62   0.34800  1.0 3.0
   63    58    60    65   0.46850  1.0 1.0
   63    58    60    65   0.08550 -1.0 2.0
   63    58    60    65   0.09800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.56750  1.0 1.0
   63    67    72    75  -0.07550 -1.0 2.0
   63    67    72    75   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   67    63    70    71  -0.11600  1.0 1.0
   67    63    70    71  -0.09450 -1.0 2.0
   67    63    70    71   0.21250  1.0 3.0
   67    72   -75    51   0.34400  1.0 1.0
   67    72   -75    51   0.09450 -1.0 2.0
   67    72   -75    51   0.11100  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    51   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    51   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    51    58    60   7.00000 -1.0 2.0
   75    51   -58    63   7.00000 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   70    63    67    68   0.23400  1.0 3.0
   70    63    67    69   0.23400  1.0 3.0
   70    63    67    72   0.86500  1.0 1.0
   70    63    67    72  -0.17500 -1.0 2.0
   70    63    67    72   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    65   0.62750  1.0 1.0
   40    33    38    65  -0.30950 -1.0 2.0
   40    33    38    65   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    59    52  -1.83450  1.0 1.0
   40    43    59    52  -0.02700 -1.0 2.0
   40    43    59    52  -0.20100  1.0 3.0
   43    46   -50    52   7.00000 -1.0 2.0
   43    46    50    54   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    59    52   0.08050  1.0 3.0
   46    43   -59    52  -0.82050  1.0 1.0
   46    43   -59    52   0.00600 -1.0 2.0
   46    43   -59    52   0.04400  1.0 3.0
   46    50    52    53   1.00000 -1.0 2.0
   46    50   -52    59  -0.56150  1.0 1.0
   46    50   -52    59   2.19150 -1.0 2.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    52   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    52   -59    43   2.00000 -1.0 2.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   53    52    59    43   3.00000 -1.0 2.0
   59    43    46    47   0.00000  1.0 1.0
   59    43   -46    50   0.39000  1.0 1.0
   59    43   -46    50  -0.05800 -1.0 2.0
   59    43   -46    50  -0.55150  1.0 3.0
   54    50    52    53  -0.64400  1.0 1.0
   54    50    52    53   0.26850 -1.0 2.0
   54    50    52    59  -0.15000  1.0 1.0
   54    50    52    59   0.89550 -1.0 2.0
   54    50    52    59  -0.06900  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
   48    75    51    58   1.10000 -1.0 2.0
   60    63    58    51   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   52    54    50    46   1.10000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
END
