* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    241     453
    1     0 S   NP   _N1_     1    31.96684   101.53931   -24.08497
    2     1 S   H    _HN1     2     1.02756    99.08630  -167.90411
    3     1 S   H    _H1_     3     1.03490   123.37505   -49.92499
    4     1 S   H    _H2_     4     1.02859    15.37003   -43.51236
    5     1 S   CT   _CA1     5     1.50131   103.38434    77.70054
    6     5 S   HC   _HA1     6     1.09554   104.85576   164.97300
    7     5 S   CO3  _C1_     7     1.53617   112.74403    44.47946
    8     7 S   O2Z  _O11     8     1.26375   115.13993   -43.23888
    9     7 S   O2Z  _O12     9     1.26283   115.08543   135.85321
   10     5 S   CT   _CB1    10     1.53073   107.33326   -76.87201
   11    10 S   HC   HB11    11     1.09537   109.35031   -40.05523
   12    10 S   HC   HB12    12     1.09819   110.63900    75.52807
   13    10 S   CT   _CG1    13     1.53241   113.04172  -162.45673
   14    13 S   HC   HG11    14     1.09489   110.93630   -92.85485
   15    13 S   HC   HG12    15     1.09549   111.36620    26.53532
   16    13 S   C    _CD1    16     1.51653   109.30456   147.16943
   17    16 S   O    _OE1    17     1.22774   121.84704    87.51419
   18    16 S   N    _N2_    18     1.38552   112.51942   -88.89761
   19    18 S   H    _HN2    19     1.01588   118.91786    -5.41251
   20    18 S   CT1  _CA2    20     1.46403   123.83016   171.34753
   21    20 S   HC   _HA2    21     1.09720   109.23923   -14.50386
   22    20 S   C    _C2_    22     1.53847   108.22938  -129.94482
   23    22 S   O    _O2_    23     1.23051   122.32056  -152.62894
   24    20 S   CT   _CB2    32     1.53440   111.64820   108.39943
   25    24 S   HC   HB21    33     1.09207   108.95132    52.30936
   26    24 S   HC   HB22    34     1.09465   110.60694   170.12197
   27    22 S   N    _N3_    24     1.38391   113.80739    34.47641
   28    27 S   H    _HN3    25     1.01442   119.15175    -1.60340
   29    24 S   S    _SG2    35     1.82899   111.52197   -71.25153
   30    27 S   CT   _CA3    26     1.45340   123.37280   178.08194
   31    30 S   HC   HA31    27     1.09550   107.18467   -71.10473
   32    30 S   HC   HA32    28     1.09556   108.26665    45.27365
   33    29 S   CT   _C18    36     1.90049   102.40566   144.00909
   34    30 S   CO3  _C3_    29     1.53030   114.37796   167.40682
   35    34 S   O2Z  _O31    30     1.26430   116.31715    -5.68334
   36    34 S   O2Z  _O32    31     1.26405   114.44477   174.44557
   37    33 S   CO4  _C17    37     1.54924   103.60191   -65.54149
   38    37 S   O    _O36    38     1.23112   122.15179   100.76188
   39    33 S   CT   _C21    74     1.58811   111.78127    51.49413
   40    39 S   HC   _H18    75     1.09785   108.04235   -67.41562
   41    37 S   CA   _C7_    39     1.49586   119.67229   -77.77122
   42    39 S   CT   _C22    76     1.53816   116.54054    50.70179
   43    42 S   HC   _H19    77     1.09294   112.49384    69.42159
   44    42 S   HC   _H20    78     1.09222   112.69439   -53.55541
   45    42 S   HC   _H21    79     1.09673   109.75105  -172.09036
   46    39 S   CT   _C23    80     1.54021   112.71065   176.58327
   47    46 S   HC   _H22    81     1.09452   111.85985   -70.64594
   48    46 S   HC   _H23    82     1.09597   110.27312   170.09347
   49    46 S   HC   _H24    83     1.09390   111.81156    50.90146
   50    41 S   CA   _C6_    40     1.41417   121.07521   -14.37709
   51    50 S   CA   _C5_    41     1.42644   121.33594  -175.85830
   52    50 S   CO4  _C20    69     1.49176   117.96202     5.81649
   53    52 S   O    _O37    70     1.22873   119.11439   151.81917
   54    51 S   CA   _C10    42     1.39868   117.64543    -7.48939
   55    51 S   CT   _C4_    65     1.50359   121.72305   171.82661
   56    55 S   HC   _H5_    66     1.09377   110.56359    90.03131
   57    55 S   HC   _H6_    67     1.09201   111.54313  -148.09787
   58    55 S   HC   _H7_    68     1.09465   111.56902   -32.32900
   59    33 S   CT   _C19    71     1.57257   111.98449  -179.56479
   60    59 S   OM   _O38    72     1.32147   111.47557   -64.06210
   61    59 S   HC   _H4_    73     1.10230   107.08937   165.22914
   62    54 S   CA   _C9_    43     1.39437   119.68954     5.42679
   63    41 S   CA   _C8_    44     1.40095   119.71294   165.57629
   64    62 S   OS   _O33    47     1.37514   113.81159   178.66279
   65    63 S   OH   _O35    45     1.36618   124.28299    -0.76464
   66    65 S   HO   _H17    46     0.97331   108.95540     5.51306
   67    64 S   CO   _C12    48     1.43997   103.16899    19.05270
   68    67 S   HC   _H3_    49     1.09623   108.99866  -152.13432
   69    54 S   CT   _C11    50     1.51550   132.49539  -177.66418
   70    67 S   OH   _O34    63     1.42648   109.47248    90.07361
   71    70 S   HO   _H8_    64     0.97519   106.61138    70.22127
   72    69 S   CT   _C13    51     1.54330   108.71366   -82.11190
   73    72 S   HC   _H9_    52     1.09507   111.39760  -168.67038
   74    72 S   HC   _H10    53     1.09493   111.50889    71.08926
   75    72 S   HC   _H11    54     1.09679   112.06099   -48.87446
   76    69 S   CT   _C14    55     1.54961   115.41906    44.51157
   77    76 S   HC   _H12    56     1.09846   109.87334    44.64583
   78    76 S   HC   _H13    57     1.09466   110.38042   -71.00310
   79    76 S   CM   _C15    58     1.50659   114.70376   169.40166
   80    79 S   HC   _H14    59     1.08667   117.58661    63.60521
   81    79 S   CM   _C16    60     1.33807   124.02942  -118.05677
   82    81 S   HC   _H15    61     1.08458   120.55735  -179.25140
   83    81 S   HC   _H16    62     1.08473   121.51881     1.07702
  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  12   5   4   3
  20   2   1   1  15   5  14   9  12   8   3   2   1   4   2   1
   1  15  15   7   3  20   5   2   1   1   2   1   1  10   5   8
   1   1  12   5  12   3   1   7   3   2   1   7   4   3   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    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    59    60    61    39    40    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    50    63    52    53    59    60    61    39    40    42    43    44    45    46    47    48    49  
   35    36  
   36  
    0  
   38    41    50    51    62    63    65    52    59    60    61    39    40    42    46  
   41    50    63    59    39  
   40    42    43    44    45    46    47    48    49    41    52    59    60    61  
   42    43    44    45    46    47    48    49    59  
   50    51    54    62    63    65    66    64    55    52    53    59  
   43    44    45    46    47    48    49    59  
   44    45    46  
   45    46  
   46  
   47    48    49    59  
   48    49  
   49  
    0  
   51    54    62    63    65    69    55    56    57    58    52    53    59    60    61  
   54    62    63    64    67    69    72    76    55    56    57    58    52    53    59  
   53    59    60    61    54    55    63  
   59    60    61  
   62    63    65    64    67    68    69    72    73    74    75    76    77    78    79    70    55    56    57    58  
   56    57    58    62    69  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    65    66    64    67    68    69    72    76    70  
   65    66    64    67    69  
   67    68    69    72    76    70    71    65  
   66  
    0  
   68    69    72    73    74    75    76    77    78    79    70    71  
   69    72    76    70    71  
   72    73    74    75    76    77    78    79    80    81    70    71  
   71    72    76  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79    80    81    82    83  
   78    79    80    81  
   79    80    81  
   80    81    82    83  
   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  -0.335000   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   3.7500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.1200   0.1700  -0.582700   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   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    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    50   469.000  1.400
   41    63   469.000  1.400
   50    51   469.000  1.400
   50    52   310.000  1.470
   51    54   469.000  1.400
   51    55   317.000  1.510
   54    62   469.000  1.400
   54    69   317.000  1.510
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   450.000  1.364
   65    66   553.000  0.945
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    69   250.000  1.527
   67    70   380.000  1.407
   69    72   268.000  1.529
   69    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.510
   79    80   340.000  1.080
   79    81   549.000  1.340
   81    82   340.000  1.080
   81    83   340.000  1.080
   70    71   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   570.000  1.307
   59    61   340.000  1.090
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    46   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    59    52    63.00000  111.10000
   33    59    60    50.00000  109.50000
   33    59    61    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    46    58.35000  112.70000
   37    41    50    60.00000  119.52600
   37    41    63    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    50    51    63.00000  120.00000
   41    50    52    60.00000  119.52600
   41    63    62    63.00000  120.00000
   41    63    65    70.00000  120.00000
   50    51    54    63.00000  120.00000
   50    51    55    70.00000  120.00000
   50    52    53    75.00000  123.78400
   50    52    59    65.00000  115.47100
   51    54    62    63.00000  120.00000
   51    54    69    70.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   54    62    63    63.00000  120.00000
   54    62    64    70.00000  120.00000
   54    69    67    70.00000  112.17500
   54    69    72    70.00000  112.17500
   54    69    76    70.00000  112.17500
   62    63    65    70.00000  120.00000
   62    64    67   100.00000  112.36700
   63    41    50    63.00000  120.00000
   63    65    66    35.00000  113.00000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    90.00000  108.56700
   64    67    70   110.00000  112.08000
   67    69    72    75.00000  109.43000
   67    69    76    75.00000  109.43000
   67    70    71    70.00000  107.92000
   69    54    62    70.00000  120.00000
   69    67    68    45.00000  112.01100
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    70.00000  112.02700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    69    72    58.35000  112.70000
   76    79    80    35.00000  117.00000
   76    79    81    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    35.00000  120.00000
   79    81    83    35.00000  120.00000
   81    79    80    35.00000  120.00000
   83    81    82    35.00000  117.00000
   70    67    68    60.00000  108.02500
   70    67    69    90.00000  110.19100
   55    51    54    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    50    51    60.00000  119.52600
   52    59    60    90.00000  108.74100
   52    59    61    35.00000  109.50000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   61    59    60    45.00000  125.66300
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    49    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    42    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.56750  1.0 1.0
   29    33    59    60  -0.07550 -1.0 2.0
   29    33    59    60   0.20000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    37    41    50   2.26350  1.0 1.0
   33    37    41    50   0.76750 -1.0 2.0
   33    37    41    50   0.22500  1.0 3.0
   33    37    41    63   2.26350  1.0 1.0
   33    37    41    63   0.76750 -1.0 2.0
   33    37    41    63   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    49   0.15000  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.09450  1.0 1.0
   37    33    59    60  -1.12950 -1.0 2.0
   37    33    59    60   0.54000  1.0 3.0
   37    33    59    61  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    46  -0.95700  1.0 1.0
   37    33    39    46  -0.18200 -1.0 2.0
   37    33    39    46   0.29450  1.0 3.0
   37    41    50    51   3.62500 -1.0 2.0
   37    41   -50    52   3.62500 -1.0 2.0
   37    41    63    62   3.62500 -1.0 2.0
   37    41    63    65   3.62500 -1.0 2.0
   38    37    41    50   1.05000 -1.0 2.0
   38    37    41    63   1.05000 -1.0 2.0
   41    50    51    54   3.62500 -1.0 2.0
   41    50    51    55   3.62500 -1.0 2.0
   41    50    52    53   1.05000 -1.0 2.0
   41    50    52    59   2.26350  1.0 1.0
   41    50    52    59   0.76750 -1.0 2.0
   41    50    52    59   0.22500  1.0 3.0
   41    63    65    66   0.84100 -1.0 2.0
   50    41    63    62   3.62500 -1.0 2.0
   50    41    63    65   3.62500 -1.0 2.0
   50    51   -54    62   3.62500 -1.0 2.0
   50    51    54    69   3.62500 -1.0 2.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    51    55    58   0.00000  1.0 1.0
   50    52   -59    33   0.05850 -1.0 2.0
   50    52   -59    33   0.17250  1.0 3.0
   50    52    59    60   0.65300  1.0 1.0
   50    52    59    60  -0.03850 -1.0 2.0
   50    52    59    60   0.33900  1.0 3.0
   50    52    59    61   0.00000  1.0 1.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    59   2.26350  1.0 1.0
   51    50    52    59   0.76750 -1.0 2.0
   51    50    52    59   0.22500  1.0 3.0
   51    54    62    63   3.62500 -1.0 2.0
   51    54    62    64   3.62500 -1.0 2.0
   51    54    69    67   0.04150 -1.0 2.0
   51    54    69    72   0.04150 -1.0 2.0
   51    54    69    76   0.04150 -1.0 2.0
   54    51    55    56   0.00000  1.0 1.0
   54    51    55    57   0.00000  1.0 1.0
   54    51    55    58   0.00000  1.0 1.0
   54    62   -63    41   3.62500 -1.0 2.0
   54    62    63    65   3.62500 -1.0 2.0
   54    62   -64    67   1.63200 -1.0 2.0
   54    69    72    73   0.43200  1.0 3.0
   54    69    72    74   0.43200  1.0 3.0
   54    69    72    75   0.43200  1.0 3.0
   54    69    76    77   0.43200  1.0 3.0
   54    69    76    78   0.43200  1.0 3.0
   54    69    76    79   0.21200  1.0 1.0
   54    69    76    79   0.16900 -1.0 2.0
   54    69    76    79  -1.15100  1.0 3.0
   62    54   -69    67   0.04150 -1.0 2.0
   62    54    69    72   0.04150 -1.0 2.0
   62    54    69    76   0.04150 -1.0 2.0
   62    63    65    66   0.84100 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64   -67    69  -0.32850  1.0 1.0
   62    64   -67    69  -0.35800 -1.0 2.0
   62    64   -67    69   0.33950  1.0 3.0
   62    64    67    70  -0.25600  1.0 1.0
   62    64    67    70  -0.40050 -1.0 2.0
   62    64    67    70   0.34700  1.0 3.0
   63    41   -50    51   3.62500 -1.0 2.0
   63    41    50    52   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    41   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   64    67   -69    54  -0.64350  1.0 1.0
   64    67   -69    54  -0.04200 -1.0 2.0
   64    67   -69    54   0.19800  1.0 3.0
   64    67    69    72   0.62750  1.0 1.0
   64    67    69    72  -0.30950 -1.0 2.0
   64    67    69    72   0.27300  1.0 3.0
   64    67    69    76   0.62750  1.0 1.0
   64    67    69    76  -0.30950 -1.0 2.0
   64    67    69    76   0.27300  1.0 3.0
   64    67    70    71  -0.50000  1.0 1.0
   64    67    70    71  -0.73950 -1.0 2.0
   64    67    70    71   0.17150  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69    72    75   0.15000  1.0 3.0
   67    69    76    77   0.15000  1.0 3.0
   67    69    76    78   0.15000  1.0 3.0
   67    69    76    79   0.34400  1.0 1.0
   67    69    76    79   0.09450 -1.0 2.0
   67    69    76    79   0.11100  1.0 3.0
   68    67    69    54   0.43200  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    69    76   0.15000  1.0 3.0
   68    67    70    71   0.19450  1.0 3.0
   69    54    62    63   3.62500 -1.0 2.0
   69    54   -62    64   3.62500 -1.0 2.0
   69    67    70    71  -0.11600  1.0 1.0
   69    67    70    71  -0.09450 -1.0 2.0
   69    67    70    71   0.21250  1.0 3.0
   69    76    79    80   0.00000  1.0 1.0
   69    76    79    81   0.09850  1.0 1.0
   69    76    79    81   0.15250 -1.0 2.0
   69    76    79    81  -0.50650  1.0 3.0
   72    69    76    77   0.15000  1.0 3.0
   72    69    76    78   0.15000  1.0 3.0
   72    69    76    79   0.34400  1.0 1.0
   72    69    76    79   0.09450 -1.0 2.0
   72    69    76    79   0.11100  1.0 3.0
   76    69    72    73   0.15000  1.0 3.0
   76    69    72    74   0.15000  1.0 3.0
   76    69    72    75   0.15000  1.0 3.0
   76    79    81    82   7.00000 -1.0 2.0
   76    79    81    83   7.00000 -1.0 2.0
   77    76    79    80   0.33100  1.0 3.0
   77    76    79    81   0.00000  1.0 1.0
   78    76    79    80   0.33100  1.0 3.0
   78    76    79    81   0.00000  1.0 1.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    83   7.00000 -1.0 2.0
   70    67    69    54   1.13150  1.0 1.0
   70    67    69    54  -1.01400 -1.0 2.0
   70    67    69    72   0.86500  1.0 1.0
   70    67    69    72  -0.17500 -1.0 2.0
   70    67    69    72   0.20800  1.0 3.0
   70    67    69    76   0.86500  1.0 1.0
   70    67    69    76  -0.17500 -1.0 2.0
   70    67    69    76   0.20800  1.0 3.0
   55    51    54    62   3.62500 -1.0 2.0
   55    51    54    69   3.62500 -1.0 2.0
   52    50    51    54   3.62500 -1.0 2.0
   52    50    51    55   3.62500 -1.0 2.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.30150 -1.0 2.0
   53    52    59    61   0.00000  1.0 1.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    41   0.05850 -1.0 2.0
   59    33   -37    41   0.17250  1.0 3.0
   59    33    39    40   0.15000  1.0 3.0
   59    33    39    42   0.56750  1.0 1.0
   59    33    39    42  -0.07550 -1.0 2.0
   59    33    39    42   0.20000  1.0 3.0
   59    33    39    46   0.56750  1.0 1.0
   59    33    39    46  -0.07550 -1.0 2.0
   59    33    39    46   0.20000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.62750  1.0 1.0
   39    33    59    60  -0.30950 -1.0 2.0
   39    33    59    60   0.27300  1.0 3.0
   39    33    59    61   0.15000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   42    39    46    47   0.15000  1.0 3.0
   42    39    46    48   0.15000  1.0 3.0
   42    39    46    49   0.15000  1.0 3.0
   46    39    42    43   0.15000  1.0 3.0
   46    39    42    44   0.15000  1.0 3.0
   46    39    42    45   0.15000  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
   50    63    41    37   4.00000 -1.0 2.0
   51    52    50    41   4.00000 -1.0 2.0
   54    55    51    50   4.00000 -1.0 2.0
   62    69    54    51   4.00000 -1.0 2.0
   63    64    62    54   4.00000 -1.0 2.0
   62    65    63    41   4.00000 -1.0 2.0
   76    80    79    81  15.00000 -1.0 2.0
   82    83    81    79  15.00000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
END
