* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    155    244     458
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02090    42.57563   112.31050
    3     1 S   H    _H1_     3     1.02132    70.78314   -96.00886
    4     1 S   H    _H2_     4     1.02062   103.58733     9.34218
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C19    36     1.83361    97.78143  -178.17437
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C20    37     1.52215   107.18697   -59.96173
   38    37 S   O    _O37    38     1.22822   122.46766    92.15640
   39    33 S   OH   _O38    83     1.42651   109.72371    54.83757
   40    39 S   HO   _H18    84     0.96949   106.55789   -55.52019
   41    37 S   CA   _C6_    39     1.48515   117.71048   -86.17192
   42    41 S   CA   _C7_    40     1.40746   120.75253   -11.70717
   43    42 S   CA   _C8_    41     1.40111   120.37981   177.74432
   44    42 S   CO4  _C17    69     1.48276   120.74482    -2.94477
   45    44 S   O    _O36    70     1.22655   120.00488   170.68312
   46    43 S   CA   _C9_    42     1.38125   117.85600     1.07301
   47    43 S   OH   _O35    67     1.35878   123.44038  -179.51021
   48    47 S   HO   _H16    68     0.97118   110.42720    -0.00000
   49    33 S   CT   _C18    71     1.53465   114.66181   176.66857
   50    49 S   HC   _H17    72     1.10024   108.28978  -175.52097
   51    46 S   CA   _C10    43     1.38779   122.28293    -1.03948
   52    49 S   CT   _C21    73     1.53270   113.69346   -58.38075
   53    52 S   HC   _H19    74     1.09452   107.99253    87.15838
   54    41 S   CA   _C5_    44     1.40288   118.71798   166.68074
   55    51 S   CT   _C11    49     1.49476   109.25687  -177.02178
   56    52 S   CT   _C22    75     1.52457   110.35737  -154.26813
   57    56 S   HC   _H20    76     1.09572   111.44900    61.83410
   58    56 S   HC   _H21    77     1.09453   110.95191   -58.56368
   59    56 S   HC   _H22    78     1.09557   110.55122  -178.13628
   60    52 S   CT   _C23    79     1.52457   110.34367   -31.40528
   61    60 S   HC   _H23    80     1.09555   111.43601   -61.80682
   62    60 S   HC   _H24    81     1.09559   110.53953   178.09895
   63    60 S   HC   _H25    82     1.09513   110.91914    58.59558
   64    54 S   CT   _C4_    45     1.49338   122.75059     1.97120
   65    64 S   HC   _H4_    46     1.09534   110.29040    90.02124
   66    64 S   HC   _H5_    47     1.09774   111.16305  -149.51141
   67    64 S   HC   _H6_    48     1.09717   111.18726   -30.54338
   68    55 S   CO   _C12    50     1.55333    97.95366   -17.00821
   69    68 S   HC   _H3_    51     1.10302   110.49657   -91.90501
   70    55 S   CT   _C13    55     1.53604   109.98631   101.31558
   71    70 S   HC   _H8_    56     1.08793   109.57469   180.00000
   72    70 S   HC   _H9_    57     1.08712   109.59430    60.01867
   73    70 S   HC   _H10    58     1.08709   109.63407   -60.01876
   74    55 S   CT   _C14    59     1.52923   114.00203  -134.51751
   75    74 S   HC   _H11    60     1.09088   108.31894    40.03454
   76    74 S   HC   _H12    61     1.08983   108.54388   -76.71585
   77    46 S   OS   _O33    52     1.37212   124.19957  -179.90721
   78    68 S   OH   _O34    53     1.42107   111.29304   148.72642
   79    78 S   HO   _H7_    54     0.96908   106.45384  -179.96044
   80    74 S   CM   _C15    62     1.49284   110.81926   163.03581
   81    80 S   HC   _H13    63     1.08694   117.65972    60.29704
   82    80 S   CM   _C16    64     1.33775   123.69094  -120.94885
   83    82 S   HC   _H14    65     1.08481   121.54031   179.95154
   84    82 S   HC   _H15    66     1.08428   120.40965    -0.02798
  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
  15   2   1   1  13   5   6   1  14  13  11  10   3  12   3   1
  11   4  18   9   8   9  16   7   3   2   1   3   2   1   1   3
   2   1   1  12   5   9   3   2   1   9   4   3   2   1   1   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    49    50    52    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    54    44    45    49    50    52    53    56    60    39    40  
   35    36  
   36  
    0  
   38    41    42    43    51    54    64    44    49    50    52    39    40  
   41    42    54    49    39  
   40    41    44    49    50    52  
   49  
   42    43    46    51    54    64    65    66    67    55    47    44    45    49  
   43    46    51    54    64    77    47    48    44    45    49    50    52  
   46    51    54    55    68    77    47    48    44    45    49  
   45    49    50    52    53    56    60    46    47    54  
   49    50    52  
   51    54    64    55    68    69    77    78    70    74    47    48  
   48    51    77  
    0  
   50    52    53    56    57    58    59    60    61    62    63  
   52    53    56    60  
   54    64    65    66    67    55    68    69    77    78    70    71    72    73    74    75    76    80  
   53    56    57    58    59    60    61    62    63  
   56    57    58    59    60    61    62    63  
   64    65    66    67    55    68    77    70    74  
   68    69    77    78    79    70    71    72    73    74    75    76    80    81    82    64  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    77    78    79    70    71    72    73    74    75    76    80  
   77    78    79    70    74  
   71    72    73    74    75    76    80    77    78  
   72    73    74  
   73    74  
   74  
   75    76    80    81    82    83    84    77    78  
   76    80    81    82  
   80    81    82  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.432500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    49   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    42   469.000  1.400
   41    54   469.000  1.400
   42    43   469.000  1.400
   42    44   310.000  1.470
   43    46   469.000  1.400
   43    47   450.000  1.364
   46    51   469.000  1.400
   46    77   450.000  1.364
   51    54   469.000  1.400
   51    55   317.000  1.510
   54    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   55    68   250.000  1.527
   55    70   268.000  1.529
   55    74   268.000  1.529
   68    69   340.000  1.090
   68    77   320.000  1.380
   68    78   380.000  1.407
   78    79   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   317.000  1.510
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   340.000  1.080
   82    84   340.000  1.080
   47    48   553.000  0.945
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   553.000  0.945
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  110.18000
   29    33    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    49    44    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    52    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    60.00000  119.52600
   37    41    54    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    42    43    63.00000  120.00000
   41    42    44    60.00000  119.52600
   41    54    51    63.00000  120.00000
   41    54    64    70.00000  120.00000
   42    43    46    63.00000  120.00000
   42    43    47    70.00000  120.00000
   42    44    45    75.00000  123.78400
   42    44    49    65.00000  115.47100
   43    46    51    63.00000  120.00000
   43    46    77    70.00000  120.00000
   43    47    48    35.00000  113.00000
   46    51    54    63.00000  120.00000
   46    51    55    70.00000  120.00000
   46    77    68   100.00000  112.36700
   51    54    64    70.00000  120.00000
   51    55    68    70.00000  112.17500
   51    55    70    70.00000  112.17500
   51    55    74    70.00000  112.17500
   54    41    42    63.00000  120.00000
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   55    51    54    70.00000  120.00000
   55    68    69    45.00000  112.01100
   55    68    77    90.00000  108.56700
   55    68    78    90.00000  110.19100
   55    70    71    37.50000  110.70000
   55    70    72    37.50000  110.70000
   55    70    73    37.50000  110.70000
   55    74    75    37.50000  110.70000
   55    74    76    37.50000  110.70000
   55    74    80    70.00000  112.02700
   68    78    79    70.00000  107.92000
   77    46    51    70.00000  120.00000
   77    68    69    35.00000  109.50000
   78    68    69    60.00000  108.02500
   78    68    77   110.00000  112.08000
   70    55    68    75.00000  109.43000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    55    68    75.00000  109.43000
   74    55    70    58.35000  112.70000
   74    80    81    35.00000  117.00000
   74    80    82    70.00000  124.00000
   76    74    75    33.00000  107.80000
   80    74    75    35.00000  109.50000
   80    74    76    35.00000  109.50000
   80    82    83    35.00000  120.00000
   80    82    84    35.00000  120.00000
   82    80    81    35.00000  120.00000
   84    82    83    35.00000  117.00000
   47    43    46    70.00000  120.00000
   44    42    43    60.00000  119.52600
   44    49    50    35.00000  109.50000
   44    49    52    63.00000  111.10000
   49    33    37    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    52    53    37.50000  110.70000
   49    52    56    58.35000  112.70000
   49    52    60    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   56    52    53    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    90.00000  109.61100
   39    33    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   2.26350  1.0 1.0
   33    37    41    42   0.76750 -1.0 2.0
   33    37    41    42   0.22500  1.0 3.0
   33    37    41    54   2.26350  1.0 1.0
   33    37    41    54   0.76750 -1.0 2.0
   33    37    41    54   0.22500  1.0 3.0
   33    49    52    53   0.15000  1.0 3.0
   33    49    52    56   0.56750  1.0 1.0
   33    49    52    56  -0.07550 -1.0 2.0
   33    49    52    56   0.20000  1.0 3.0
   33    49    52    60   0.56750  1.0 1.0
   33    49    52    60  -0.07550 -1.0 2.0
   33    49    52    60   0.20000  1.0 3.0
   37    33    49    44   0.11950  1.0 1.0
   37    33    49    44   0.20300 -1.0 2.0
   37    33    49    44  -0.70800  1.0 3.0
   37    33    49    50  -0.11250  1.0 3.0
   37    33    49    52  -0.95700  1.0 1.0
   37    33    49    52  -0.18200 -1.0 2.0
   37    33    49    52   0.29450  1.0 3.0
   37    33    39    40   0.91850  1.0 1.0
   37    33    39    40   0.57950  1.0 3.0
   37    41    42    43   3.62500 -1.0 2.0
   37    41   -42    44   3.62500 -1.0 2.0
   37    41    54    51   3.62500 -1.0 2.0
   37    41    54    64   3.62500 -1.0 2.0
   38    37    41    42   1.05000 -1.0 2.0
   38    37    41    54   1.05000 -1.0 2.0
   41    42    43    46   3.62500 -1.0 2.0
   41    42    43    47   3.62500 -1.0 2.0
   41    42    44    45   1.05000 -1.0 2.0
   41    42    44    49   2.26350  1.0 1.0
   41    42    44    49   0.76750 -1.0 2.0
   41    42    44    49   0.22500  1.0 3.0
   41    54    64    65   0.00000  1.0 1.0
   41    54    64    66   0.00000  1.0 1.0
   41    54    64    67   0.00000  1.0 1.0
   42    41    54    51   3.62500 -1.0 2.0
   42    41    54    64   3.62500 -1.0 2.0
   42    43   -46    51   3.62500 -1.0 2.0
   42    43    46    77   3.62500 -1.0 2.0
   42    43    47    48   0.84100 -1.0 2.0
   42    44   -49    33   0.05850 -1.0 2.0
   42    44   -49    33   0.17250  1.0 3.0
   42    44    49    50   0.00000  1.0 1.0
   42    44    49    52   0.05850 -1.0 2.0
   42    44    49    52   0.17250  1.0 3.0
   43    42    44    45   1.05000 -1.0 2.0
   43    42    44    49   2.26350  1.0 1.0
   43    42    44    49   0.76750 -1.0 2.0
   43    42    44    49   0.22500  1.0 3.0
   43    46    51    54   3.62500 -1.0 2.0
   43    46    51    55   3.62500 -1.0 2.0
   43    46    77    68   1.63200 -1.0 2.0
   46    43    47    48   0.84100 -1.0 2.0
   46    51   -54    41   3.62500 -1.0 2.0
   46    51    54    64   3.62500 -1.0 2.0
   46    51   -55    68   0.04150 -1.0 2.0
   46    51    55    70   0.04150 -1.0 2.0
   46    51    55    74   0.04150 -1.0 2.0
   51    46   -77    68   1.63200 -1.0 2.0
   51    54    64    65   0.00000  1.0 1.0
   51    54    64    66   0.00000  1.0 1.0
   51    54    64    67   0.00000  1.0 1.0
   51    55    68    69   0.43200  1.0 3.0
   51    55   -68    77  -0.64350  1.0 1.0
   51    55   -68    77  -0.04200 -1.0 2.0
   51    55   -68    77   0.19800  1.0 3.0
   51    55    68    78   1.13150  1.0 1.0
   51    55    68    78  -1.01400 -1.0 2.0
   51    55    70    71   0.43200  1.0 3.0
   51    55    70    72   0.43200  1.0 3.0
   51    55    70    73   0.43200  1.0 3.0
   51    55    74    75   0.43200  1.0 3.0
   51    55    74    76   0.43200  1.0 3.0
   51    55    74    80   0.21200  1.0 1.0
   51    55    74    80   0.16900 -1.0 2.0
   51    55    74    80  -1.15100  1.0 3.0
   54    41   -42    43   3.62500 -1.0 2.0
   54    41    42    44   3.62500 -1.0 2.0
   54    51    55    68   0.04150 -1.0 2.0
   54    51    55    70   0.04150 -1.0 2.0
   54    51    55    74   0.04150 -1.0 2.0
   55    51    54    41   3.62500 -1.0 2.0
   55    51    54    64   3.62500 -1.0 2.0
   55    68   -77    46  -0.32850  1.0 1.0
   55    68   -77    46  -0.35800 -1.0 2.0
   55    68   -77    46   0.33950  1.0 3.0
   55    68    78    79  -0.11600  1.0 1.0
   55    68    78    79  -0.09450 -1.0 2.0
   55    68    78    79   0.21250  1.0 3.0
   55    74    80    81   0.00000  1.0 1.0
   55    74    80    82   0.09850  1.0 1.0
   55    74    80    82   0.15250 -1.0 2.0
   55    74    80    82  -0.50650  1.0 3.0
   68    55    70    71   0.15000  1.0 3.0
   68    55    70    72   0.15000  1.0 3.0
   68    55    70    73   0.15000  1.0 3.0
   68    55    74    75   0.15000  1.0 3.0
   68    55    74    76   0.15000  1.0 3.0
   68    55    74    80   0.34400  1.0 1.0
   68    55    74    80   0.09450 -1.0 2.0
   68    55    74    80   0.11100  1.0 3.0
   69    68    77    46   0.08050  1.0 3.0
   69    68    78    79   0.19450  1.0 3.0
   77    46    51    54   3.62500 -1.0 2.0
   77    46   -51    55   3.62500 -1.0 2.0
   77    68    78    79  -0.50000  1.0 1.0
   77    68    78    79  -0.73950 -1.0 2.0
   77    68    78    79   0.17150  1.0 3.0
   78    68    77    46  -0.25600  1.0 1.0
   78    68    77    46  -0.40050 -1.0 2.0
   78    68    77    46   0.34700  1.0 3.0
   70    55    68    69   0.15000  1.0 3.0
   70    55    68    77   0.62750  1.0 1.0
   70    55    68    77  -0.30950 -1.0 2.0
   70    55    68    77   0.27300  1.0 3.0
   70    55    68    78   0.86500  1.0 1.0
   70    55    68    78  -0.17500 -1.0 2.0
   70    55    68    78   0.20800  1.0 3.0
   70    55    74    75   0.15000  1.0 3.0
   70    55    74    76   0.15000  1.0 3.0
   70    55    74    80   0.34400  1.0 1.0
   70    55    74    80   0.09450 -1.0 2.0
   70    55    74    80   0.11100  1.0 3.0
   74    55    68    69   0.15000  1.0 3.0
   74    55    68    77   0.62750  1.0 1.0
   74    55    68    77  -0.30950 -1.0 2.0
   74    55    68    77   0.27300  1.0 3.0
   74    55    68    78   0.86500  1.0 1.0
   74    55    68    78  -0.17500 -1.0 2.0
   74    55    68    78   0.20800  1.0 3.0
   74    55    70    71   0.15000  1.0 3.0
   74    55    70    72   0.15000  1.0 3.0
   74    55    70    73   0.15000  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80    82    84   7.00000 -1.0 2.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   76    74    80    81   0.33100  1.0 3.0
   76    74    80    82   0.00000  1.0 1.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    84   7.00000 -1.0 2.0
   47    43    46    51   3.62500 -1.0 2.0
   47    43    46    77   3.62500 -1.0 2.0
   44    42    43    46   3.62500 -1.0 2.0
   44    42    43    47   3.62500 -1.0 2.0
   44    49    52    53  -0.11250  1.0 3.0
   44    49    52    56  -0.95700  1.0 1.0
   44    49    52    56  -0.18200 -1.0 2.0
   44    49    52    56   0.29450  1.0 3.0
   44    49    52    60  -0.95700  1.0 1.0
   44    49    52    60  -0.18200 -1.0 2.0
   44    49    52    60   0.29450  1.0 3.0
   45    44    49    33   0.30150 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    52   0.30150 -1.0 2.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    41   0.05850 -1.0 2.0
   49    33   -37    41   0.17250  1.0 3.0
   49    33    39    40  -0.11600  1.0 1.0
   49    33    39    40  -0.09450 -1.0 2.0
   49    33    39    40   0.21250  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52    56    59   0.15000  1.0 3.0
   49    52    60    61   0.15000  1.0 3.0
   49    52    60    62   0.15000  1.0 3.0
   49    52    60    63   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   50    49    52    60   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   56    52    60    61   0.15000  1.0 3.0
   56    52    60    62   0.15000  1.0 3.0
   56    52    60    63   0.15000  1.0 3.0
   60    52    56    57   0.15000  1.0 3.0
   60    52    56    58   0.15000  1.0 3.0
   60    52    56    59   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    49    44  -0.09450  1.0 1.0
   39    33    49    44  -1.12950 -1.0 2.0
   39    33    49    44   0.54000  1.0 3.0
   39    33    49    50   0.23400  1.0 3.0
   39    33    49    52   0.86500  1.0 1.0
   39    33    49    52  -0.17500 -1.0 2.0
   39    33    49    52   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
   33    41    37    38  10.50000 -1.0 2.0
   42    54    41    37   4.00000 -1.0 2.0
   43    44    42    41   4.00000 -1.0 2.0
   46    47    43    42   4.00000 -1.0 2.0
   51    77    46    43   4.00000 -1.0 2.0
   54    55    51    46   4.00000 -1.0 2.0
   51    64    54    41   4.00000 -1.0 2.0
   74    81    80    82  15.00000 -1.0 2.0
   83    84    82    80  15.00000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
END
