* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    197    326     596
    1     0 S   NP   _N1_     1    28.78926    96.35224   -19.82341
    2     1 S   H    _HN1     2     1.02965    82.50241    29.63926
    3     1 S   H    _H1_     3     1.02836    43.00828   154.57184
    4     1 S   H    _H2_     4     1.02772    83.30443   -79.95702
    5     1 S   CT   _CA1     5     1.50128   153.70260   151.36302
    6     5 S   HC   _HA1     6     1.09564   105.24895    61.39967
    7     5 S   CO3  _C1_     7     1.53716   112.44319   -58.90905
    8     7 S   O2Z  _O11     8     1.26347   114.91756   -40.65097
    9     7 S   O2Z  _O12     9     1.26223   114.99436   138.67567
   10     5 S   CT   _CB1    10     1.53090   107.44774   179.49876
   11    10 S   HC   HB11    11     1.09826   109.34560   -49.61084
   12    10 S   HC   HB12    12     1.09826   110.39447    66.96136
   13    10 S   CT   _CG1    13     1.53026   112.73160  -170.67034
   14    13 S   HC   HG11    14     1.09596   110.52381   -64.88310
   15    13 S   HC   HG12    15     1.09651   109.94713    54.41546
   16    13 S   C    _CD1    16     1.51807   112.24157   174.83999
   17    16 S   O    _OE1    17     1.22724   123.23929     1.97576
   18    16 S   N    _N2_    18     1.38624   111.67462  -178.26878
   19    18 S   H    _HN2    19     1.01585   119.04209     1.37402
   20    18 S   CT1  _CA2    20     1.46287   123.35884  -179.03958
   21    20 S   HC   _HA2    21     1.09736   109.40470    -9.29318
   22    20 S   C    _C2_    22     1.53434   108.47838  -124.99411
   23    22 S   O    _O2_    23     1.23019   122.17247  -146.40563
   24    20 S   CT   _CB2    32     1.53593   111.33470   112.74200
   25    24 S   HC   HB21    33     1.09237   108.98639    56.98131
   26    24 S   HC   HB22    34     1.09457   110.00246   175.56960
   27    22 S   N    _N3_    24     1.38483   113.42791    40.96442
   28    27 S   H    _HN3    25     1.01522   118.91992    -0.76745
   29    24 S   S    _SG2    35     1.82915   110.94707   -65.09145
   30    27 S   CT   _CA3    26     1.45464   123.57482   175.17777
   31    30 S   HC   HA31    27     1.09514   109.40688    20.98086
   32    30 S   HC   HA32    28     1.09502   107.07930   138.00893
   33    29 S   CT   _C21    36     1.89430   103.34803   163.26806
   34    30 S   CO3  _C3_    29     1.52916   112.99469  -102.61563
   35    34 S   O2Z  _O31    30     1.26411   115.35640   -45.48253
   36    34 S   O2Z  _O32    31     1.26346   115.01412   135.42122
   37    33 S   CT   _C26    37     1.54510   105.56190    57.03959
   38    37 S   HC   _H29    38     1.09722   111.88510    51.34351
   39    37 S   HC   _H30    39     1.09673   110.66903   -68.72630
   40    33 S   CT   _C20    54     1.54218   109.16705   -61.34579
   41    40 S   HC   _H25    55     1.09829   109.30414  -178.11851
   42    40 S   HC   _H26    56     1.09535   112.29504    67.08439
   43    37 S   CO4  _C25    40     1.50757   113.30176   171.92720
   44    43 S   O    _O37    41     1.22915   122.00713   145.35889
   45    43 S   CM   _C24    42     1.47118   118.06728   -38.93181
   46    45 S   HC   _H28    43     1.08348   118.10800  -167.42265
   47    45 S   CM   _C23    44     1.33540   120.09626    10.92487
   48    47 S   HC   _H27    45     1.08926   116.44035  -177.21878
   49    33 S   CT   _C22    46     1.60679   111.41153   178.37514
   50    49 S   CT   _C8_    47     1.61284   111.60614    89.05381
   51    50 S   F    F1__    48     1.39316   105.84646    86.27109
   52    49 S   CT   _C27    95     1.54941   110.82304   -39.23512
   53    52 S   HC   _H31    96     1.09405   112.43581    72.57879
   54    52 S   HC   _H32    97     1.09691   111.46433   -48.22722
   55    52 S   HC   _H33    98     1.09708   112.10431  -166.27149
   56    50 S   CT   _C9_    49     1.55622   113.48497   -26.42714
   57    56 S   HC   _H4_    50     1.09410   109.15048   -62.58241
   58    50 S   CT   _C7_    69     1.56331   116.03427  -159.15633
   59    58 S   HC   _H3_    70     1.09619   108.39661   -61.16080
   60    56 S   CT   _C19    51     1.54537   111.27846    57.45660
   61    60 S   HC   _H23    52     1.09760   108.72350  -149.85584
   62    60 S   HC   _H24    53     1.09770   111.02212    94.80133
   63    56 S   CT   _C10    57     1.54009   109.85066   177.77384
   64    63 S   HC   _H5_    58     1.10101   105.49957   -60.55342
   65    58 S   OH   _O38    71     1.42115   112.35559    56.66089
   66    65 S   HO   _H34    72     0.97244   107.93728  -174.74928
   67    63 S   CT   _C11    59     1.52738   118.54351  -178.83568
   68    67 S   HC   _H12    60     1.09513   109.93078   -46.09643
   69    67 S   HC   _H13    61     1.09445   112.19789    74.36592
   70    67 S   CT   _C12    62     1.54188   103.81196  -164.16439
   71    70 S   HC   _H6_    63     1.09365   109.39666   135.92911
   72    70 S   CT   _C13    64     1.54184   107.16528    10.67887
   73    63 S   CT   _C5_    65     1.54524   114.64144    57.97863
   74    72 S   OS   _O33    77     1.42835   104.27563   -99.03465
   75    72 S   CO4  _C17    88     1.53868   113.40464   143.57856
   76    75 S   O    _O35    89     1.23246   121.58729   -17.48593
   77    73 S   CT   _C6_    66     1.54401   106.05309   -61.44983
   78    77 S   HC   _H10    67     1.09703   110.11980   -63.91225
   79    77 S   HC   _H11    68     1.09461   109.74750   178.86979
   80    73 S   CT   _C4_    73     1.55103   113.10444    61.09668
   81    80 S   HC   _H7_    74     1.09489   112.37922    69.98373
   82    80 S   HC   _H8_    75     1.09157   113.32317   -49.97757
   83    80 S   HC   _H9_    76     1.09594   110.57497  -170.62355
   84    74 S   CO   _C14    78     1.42938   107.10134   -21.20174
   85    75 S   CT   _C18    90     1.52052   117.39364   163.74848
   86    85 S   HC   _H20    91     1.09065   109.36208    70.16188
   87    85 S   HC   _H21    92     1.09229   110.03942   -51.56737
   88    70 S   OS   _O34    79     1.42581   110.57748  -105.04234
   89    84 S   CT   _C15    80     1.52357   108.81814   136.02559
   90    89 S   HC   _H14    81     1.09526   110.74647   -61.31363
   91    89 S   HC   _H15    82     1.09514   111.31188   179.91377
   92    89 S   HC   _H16    83     1.09503   111.32182    57.79712
   93    84 S   CT   _C16    84     1.52628   109.39224  -103.26142
   94    93 S   HC   _H17    85     1.09525   111.00138    62.87697
   95    93 S   HC   _H18    86     1.09502   111.25575   -56.44503
   96    93 S   HC   _H19    87     1.09525   111.21221  -178.42070
   97    85 S   OH   _O36    93     1.41510   110.23671  -170.95328
   98    97 S   HO   _H22    94     0.97214   107.26136  -178.49976
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  23   2   1   1  14   6   5  13   6   5   6   3   6   3  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  12   6   5  13   6  19  13  15  10   4   6   2   1   3
   2   1   1   9   4   3   2   8   7   3   2   1   3   2   1   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    49    50    60    40    41    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    50    51    56    60    61    62    40    41    42    58    52    53    54    55  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    49    50    60    40    41    42    52  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    63    52    43    47    49    50    56    57    60    61    62  
   42    49    56    60    61    62  
   49    56    60    61    62  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    77    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    73    77    78    79    58    59    65    66    52    53    54    55  
   56    57    60    63    77    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    73    77    58    59    65    80  
   60    61    62    63    64    67    73    58  
   59    65    66    80    60    63    72    73    77    78    79  
   65    66    73    77    78    79  
   61    62    63    64    67    73  
   62    63  
   63  
   64    67    68    69    70    71    72    73    77    78    79    80    81    82    83    74    88    75  
   67    68    69    70    72    73    77    80  
   66    73    77    78    79  
   77  
   68    69    70    71    72    73    77    80    74    84    88    75  
   69    70    71    72    73    88  
   70    71    72    73    88  
   71    72    73    77    80    74    84    88    89    93    75    76    85  
   72    73    74    84    88    75  
   73    77    78    79    80    81    82    83    74    84    88    89    93    75    76    85    86    87    97  
   77    78    79    80    81    82    83    74    84    88    75    76    85  
   84    88    89    90    91    92    93    94    95    96    75    76    85    77    80  
   76    85    86    87    97    98    77    80    84    88  
   85    86    87    97  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   88    89    90    91    92    93    94    95    96  
   86    87    97    98  
   87    97    98  
   97    98  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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
   84   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   320.000  1.462
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   367.000  1.332
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    73   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    88   320.000  1.410
   72    73   268.000  1.529
   72    74   320.000  1.410
   72    75   317.000  1.522
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    84   320.000  1.380
   84    88   320.000  1.380
   84    89   250.000  1.527
   84    93   250.000  1.527
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   75    76   570.000  1.229
   75    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    97   320.000  1.410
   97    98   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    40.00000  117.72500
   43    45    47    65.00000  118.96000
   45    43    44    80.00000  123.72100
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    58.35000  112.70000
   49    47    48    35.00000  117.00000
   49    50    51    50.00000  109.50000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    77    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    50.00000  109.50000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    40    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    73    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    40    41    37.50000  110.70000
   60    40    42    37.50000  110.70000
   62    60    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    73    72    58.35000  112.70000
   63    73    77    58.35000  112.70000
   63    73    80    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    88    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    58.35000  112.70000
   70    72    74    50.00000  109.50000
   70    72    75    63.00000  111.10000
   70    88    84    60.00000  109.50000
   72    70    71    37.50000  110.70000
   72    73    77    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    74    84    60.00000  109.50000
   72    75    76    80.00000  120.40000
   72    75    85    70.00000  116.00000
   73    63    64    37.50000  110.70000
   73    63    67    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    58    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    58    59    37.50000  110.70000
   77    58    65    50.00000  109.50000
   79    77    78    33.00000  107.80000
   58    50    51    50.00000  109.50000
   58    50    56    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    77    79    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   80    73    77    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
   74    72    73    50.00000  109.50000
   74    84    88    92.60000  111.55000
   74    84    89    90.00000  108.56700
   74    84    93    90.00000  108.56700
   84    89    90    45.00000  108.72000
   84    89    91    45.00000  108.72000
   84    89    92    45.00000  108.72000
   84    93    94    45.00000  108.72000
   84    93    95    45.00000  108.72000
   84    93    96    45.00000  108.72000
   88    70    71    35.00000  109.50000
   88    70    72    50.00000  109.50000
   89    84    88    90.00000  108.56700
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    84    88    90.00000  108.56700
   93    84    89    65.00000  112.71400
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   75    72    73    63.00000  111.10000
   75    72    74    90.00000  108.74100
   75    85    86    35.00000  109.50000
   75    85    87    35.00000  109.50000
   75    85    97    90.00000  109.61100
   85    75    76    80.00000  120.40000
   85    97    98    55.00000  108.50000
   87    85    86    33.00000  107.80000
   97    85    86    35.00000  109.50000
   97    85    87    35.00000  109.50000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
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   74    84    89    90   0.23400  1.0 3.0
   74    84    89    91   0.23400  1.0 3.0
   74    84    89    92   0.23400  1.0 3.0
   74    84    93    94   0.23400  1.0 3.0
   74    84    93    95   0.23400  1.0 3.0
   74    84    93    96   0.23400  1.0 3.0
   88    70    72    73   0.62750  1.0 1.0
   88    70    72    73  -0.30950 -1.0 2.0
   88    70    72    73   0.27300  1.0 3.0
   88    70   -72    74   1.11900  1.0 1.0
   88    70   -72    74  -1.16350 -1.0 2.0
   88    70   -72    74  -0.34150  1.0 3.0
   88    70    72    75  -0.09450  1.0 1.0
   88    70    72    75  -1.12950 -1.0 2.0
   88    70    72    75   0.54000  1.0 3.0
   88    84    89    90   0.23400  1.0 3.0
   88    84    89    91   0.23400  1.0 3.0
   88    84    89    92   0.23400  1.0 3.0
   88    84    93    94   0.23400  1.0 3.0
   88    84    93    95   0.23400  1.0 3.0
   88    84    93    96   0.23400  1.0 3.0
   89    84    88    70   0.06250  1.0 1.0
   89    84    88    70  -0.01100 -1.0 2.0
   89    84    88    70   0.28050  1.0 3.0
   89    84    93    94   0.15000  1.0 3.0
   89    84    93    95   0.15000  1.0 3.0
   89    84    93    96   0.15000  1.0 3.0
   93    84    88    70   0.06250  1.0 1.0
   93    84    88    70  -0.01100 -1.0 2.0
   93    84    88    70   0.28050  1.0 3.0
   93    84    89    90   0.15000  1.0 3.0
   93    84    89    91   0.15000  1.0 3.0
   93    84    89    92   0.15000  1.0 3.0
   75    72    73    63  -0.95700  1.0 1.0
   75    72    73    63  -0.18200 -1.0 2.0
   75    72    73    63   0.29450  1.0 3.0
   75    72    73    77  -0.95700  1.0 1.0
   75    72    73    77  -0.18200 -1.0 2.0
   75    72    73    77   0.29450  1.0 3.0
   75    72    73    80  -0.95700  1.0 1.0
   75    72    73    80  -0.18200 -1.0 2.0
   75    72    73    80   0.29450  1.0 3.0
   75    72    74    84  -1.11000  1.0 1.0
   75    72    74    84   0.50250 -1.0 2.0
   75    72    74    84   0.47450  1.0 3.0
   75    85    97    98   0.91850  1.0 1.0
   75    85    97    98   0.57950  1.0 3.0
   76    75    85    86   0.00000  1.0 1.0
   76    75    85    87   0.00000  1.0 1.0
   76    75    85    97   0.30150 -1.0 2.0
   86    85    97    98   0.19450  1.0 3.0
   87    85    97    98   0.19450  1.0 3.0
   52    49    50    51   0.39650  1.0 1.0
   52    49    50    51  -0.18350 -1.0 2.0
   52    49    50    51   0.41450  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  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
   37    45    43    44  10.50000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   72    85    75    76  10.50000 -1.0 2.0
END
