* LIGAND DATABASE FILE (OPLS2005)
*
001      99   106    196    352     603
    1     0 S   NP   _N1_     1    28.99976    97.49482   -25.14530
    2     1 S   H    _HN1     2     1.02797   117.44918   -94.89343
    3     1 S   H    _H1_     3     1.02946    64.49470     3.48318
    4     1 S   H    _H2_     4     1.02826    42.78282   178.07776
    5     1 S   CT   _CA1     5     1.50141   129.00861    99.85227
    6     5 S   HC   _HA1     6     1.09574   105.14563   104.65111
    7     5 S   CO3  _C1_     7     1.53761   112.40681   -15.54100
    8     7 S   O2Z  _O11     8     1.26380   115.00260   -43.50497
    9     7 S   O2Z  _O12     9     1.26230   114.93792   135.37744
   10     5 S   CT   _CB1    10     1.53041   107.38292  -137.40626
   11    10 S   HC   HB11    11     1.09847   109.31811   -49.15077
   12    10 S   HC   HB12    12     1.09809   110.49268    67.43057
   13    10 S   CT   _CG1    13     1.53038   112.66083  -170.05612
   14    13 S   HC   HG11    14     1.09564   110.78724   -68.00645
   15    13 S   HC   HG12    15     1.09665   109.66835    51.25788
   16    13 S   C    _CD1    16     1.51820   111.79447   171.77381
   17    16 S   O    _OE1    17     1.22776   123.09732    15.41457
   18    16 S   N    _N2_    18     1.38611   111.96237  -164.60479
   19    18 S   H    _HN2    19     1.01583   119.08733     0.38155
   20    18 S   CT1  _CA2    20     1.46209   123.35850   176.31863
   21    20 S   HC   _HA2    21     1.09726   109.27759     9.45908
   22    20 S   C    _C2_    22     1.53758   109.11491  -106.30656
   23    22 S   O    _O2_    23     1.23114   122.14622  -150.34689
   24    20 S   CT   _CB2    32     1.53358   111.60253   131.54087
   25    24 S   HC   HB21    33     1.09499   109.43950    58.71660
   26    24 S   HC   HB22    34     1.09469   109.57143   177.19956
   27    22 S   N    _N3_    24     1.38273   114.03004    37.07302
   28    27 S   H    _HN3    25     1.01526   119.63264    -3.06267
   29    24 S   S    _SG2    35     1.83383   111.47345   -63.71440
   30    27 S   CT   _CA3    26     1.45268   123.28764   177.40965
   31    30 S   HC   HA31    27     1.09545   107.51499   -65.34234
   32    30 S   HC   HA32    28     1.09559   108.00304    51.12057
   33    29 S   CT   _C17    36     1.90074   102.19983   161.99631
   34    33 S   OM   _O42    37     1.31011   105.30204   -65.78291
   35    30 S   CO3  _C3_    29     1.52975   114.03631   173.17421
   36    35 S   O2Z  _O31    30     1.26387   116.10014     1.25585
   37    35 S   O2Z  _O32    31     1.26426   114.40807  -178.70714
   38    33 S   CT   _C18    38     1.58272   106.08997   173.82289
   39    38 S   HC   _H14    39     1.10552   105.42716   -26.29554
   40    33 S   CT   _C16    92     1.57192   110.55643    53.96548
   41    40 S   HC   _H6_    93     1.09490   110.61971   -45.78251
   42    38 S   CO4  _C33    40     1.54036   118.70515    85.66394
   43    42 S   O    _O41    41     1.22779   123.36619   -17.91818
   44    42 S   CA   _C27    42     1.49331   117.89036   168.29157
   45    44 S   CA   _C26    43     1.40290   120.27005     1.76525
   46    45 S   CA   _C31    44     1.40763   120.13511   176.44978
   47    45 S   CO4  _C25    57     1.48484   119.32755    -5.68748
   48    47 S   O    _O38    58     1.22614   119.41353   155.59142
   49    46 S   CA   _C30    45     1.40176   120.86101     0.88955
   50    46 S   OH   _O39    55     1.37206   122.31523   179.77883
   51    50 S   HO   _H18    56     0.97369   109.20459     6.84596
   52    38 S   CT   _C19    59     1.55724   114.43076  -138.95830
   53    49 S   CA   _C29    46     1.39762   118.73144     0.03956
   54    53 S   HA   _H17    47     1.08808   120.08300   179.63955
   55    49 S   CT   _C32    51     1.50193   121.24150   179.41717
   56    55 S   HC   _H19    52     1.09474   110.19411   -62.76035
   57    55 S   HC   _H20    53     1.09484   110.30028    58.11665
   58    55 S   HC   _H21    54     1.09512   111.58009   177.56281
   59    52 S   CT   _C20    60     1.57320   117.76879   -76.52915
   60    59 S   HC   _H7_    61     1.09534   113.32232   -98.00848
   61    52 S   CT   _C14    88     1.57842   111.51808    44.05986
   62    61 S   HC   _H4_    89     1.09485   114.29050   125.87862
   63    44 S   CA   _C28    48     1.40372   121.01220   179.33383
   64    59 S   CO4  _C22    62     1.52651   115.21871    27.80064
   65    64 S   O    _O36    63     1.22906   120.66748  -104.38481
   66    61 S   CT   _C15    90     1.51866   114.68213    -4.23411
   67    66 S   HC   _H5_    91     1.09251   111.95126    66.35694
   68    59 S   CT   _C21    96     1.52846   104.03684   142.51212
   69    68 S   HC   _H8_    97     1.09418   114.40942  -163.27422
   70    63 S   OH   _O40    49     1.36995   123.61013     2.92730
   71    70 S   HO   _H22    50     0.97439   108.84931    -0.72226
   72    64 S   CT   _C23    64     1.53272   115.49374    78.83705
   73    72 S   HC   _H16    65     1.10289   104.03517    84.18151
   74    66 S   OH   _O43    94     1.42179   110.73456  -174.28914
   75    74 S   HO   _H23    95     0.97248   107.26977   175.13119
   76    68 S   OH   _O35    98     1.42001   111.67415    74.56701
   77    76 S   HO   _H15    99     0.97242   107.57948    64.42566
   78    72 S   CO4  _C24    66     1.51669   118.03388  -164.44722
   79    78 S   O    _O37    67     1.22815   122.38220   -27.72208
   80    78 S   CA   _C8_    68     1.49083   117.84501   157.41707
   81    80 S   CA   _C9_    69     1.40291   119.97875     6.11119
   82    81 S   CA   _C10    70     1.40612   120.11880   177.04574
   83    81 S   CO4  _C11    83     1.48516   119.22927    -5.25352
   84    83 S   O    _O34    84     1.22564   119.51795   152.90413
   85    82 S   CA   _C5_    71     1.40202   120.74759     0.95121
   86    82 S   OH   _O33    81     1.37172   122.24170   179.72446
   87    86 S   HO   _H13    82     0.97361   109.21909     6.37920
   88    72 S   CT   _C12    85     1.54545   109.62409   -30.99479
   89    85 S   CA   _C6_    72     1.39871   118.80344    -0.02798
   90    89 S   HA   _H12    73     1.08804   120.06594   179.44433
   91    85 S   CT   _C4_    77     1.50193   121.19895   178.99225
   92    91 S   HC   _H9_    78     1.09474   110.15256   -63.88019
   93    91 S   HC   _H10    79     1.09485   110.34047    57.00098
   94    91 S   HC   _H11    80     1.09512   111.56979   176.40479
   95    88 S   CT   _C13    86     1.58137   109.64684    51.37744
   96    95 S   HC   _H3_    87     1.09461   114.44596   123.91885
   97    80 S   CA   _C7_    74     1.40194   121.10368  -175.68008
   98    97 S   OH   _O44    75     1.36952   123.47718     2.66800
   99    98 S   HO   _H24    76     0.97429   108.80276     0.85684
  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
  19   8   2   1   1  20   8  20   8  11   4  12  13  13  13   3
  10   3   1  16   8   3   4   2   1   1  16   8  14   7   2  12
   5   9   4   8   5   1   1  11   6   3   1   4   1  10   4  12
  12  13   7   2  10   3   1   2   8   3   4   2   1   1   1   1
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    52    88    66    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    47    52    59    72    83    88    95    61    66    67    40    41    74  
   38    39    42    52    88    66    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    63    47    48    52    59    60    64    88    95    61    62    66    40    41    68  
   42    43    44    47    52    59    61    40  
   41    74    75    68    42    52    61    62    64    66    67    72    73    78    81    83    84    88    95    96  
   74    61    66    67    72    83    88    95  
   43    44    45    46    53    63    70    47    52    59    61  
   44    45    63    52  
   45    46    49    53    54    63    70    71    50    47    48    52  
   46    49    53    63    70    55    50    51    47    48    52    59    61  
   49    53    54    63    55    56    57    58    50    51    47    48    52  
   48    52    59    60    64    95    61    62    66    68    49    50    63  
   52    59    61  
   53    54    63    70    55    56    57    58    50    51  
   51    53    55  
    0  
   59    60    64    65    72    88    95    96    61    62    66    67    74    68    69    76  
   54    63    70    71    55    56    57    58  
   63    70    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    65    72    73    78    88    95    96    61    62    66    68    69    76    77  
   64    65    72    95    61    68    69    76  
   62    66    67    74    75    68    69    76    64    72    83    88    95    96  
   66    67    74    68    88    95    96  
   70    71  
   65    72    73    78    79    80    83    88    95    68    69    76  
   72    73    78    88    68  
   67    74    75    68    72    83    88    95    96  
   74    75    88    95  
   69    76    77    72    83    88    95    96  
   76    77    88    95    96  
   71  
    0  
   73    78    79    80    81    97    83    84    88    95    96  
   78    79    80    83    88    95  
   75    88    95  
    0  
   77    88    95    96  
   95  
   79    80    81    82    89    97    98    83    88    95  
   80    81    97    88  
   81    82    85    89    90    97    98    99    86    83    84    88  
   82    85    89    97    98    91    86    87    83    84    88    95  
   85    89    90    97    91    92    93    94    86    87    83    84    88  
   84    88    95    96    85    86    97  
   88    95  
   89    90    97    98    91    92    93    94    86    87  
   87    89    91  
    0  
   95    96  
   90    97    98    99    91    92    93    94  
   97    98    91  
   92    93    94    97  
   93    94  
   94  
    0  
   96  
    0  
   98    99  
   99  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   98   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.435000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    52   268.000  1.529
   42    43   570.000  1.229
   42    44   310.000  1.470
   44    45   469.000  1.400
   44    63   469.000  1.400
   45    46   469.000  1.400
   45    47   310.000  1.470
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    53   469.000  1.400
   49    55   317.000  1.510
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    70   450.000  1.364
   70    71   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   50    51   553.000  0.945
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    59   268.000  1.529
   52    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.522
   59    68   268.000  1.529
   64    65   570.000  1.229
   64    72   317.000  1.522
   72    73   340.000  1.090
   72    78   317.000  1.522
   72    88   268.000  1.529
   78    79   570.000  1.229
   78    80   310.000  1.470
   80    81   469.000  1.400
   80    97   469.000  1.400
   81    82   469.000  1.400
   81    83   310.000  1.470
   82    85   469.000  1.400
   82    86   450.000  1.364
   85    89   469.000  1.400
   85    91   317.000  1.510
   89    90   367.000  1.080
   89    97   469.000  1.400
   97    98   450.000  1.364
   98    99   553.000  0.945
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   86    87   553.000  0.945
   83    84   570.000  1.229
   83    88   317.000  1.522
   88    95   268.000  1.529
   88    40   268.000  1.529
   95    96   340.000  1.090
   95    61   268.000  1.529
   95    68   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    40   268.000  1.529
   66    74   320.000  1.410
   40    41   340.000  1.090
   74    75   553.000  0.945
   68    69   340.000  1.090
   68    76   320.000  1.410
   76    77   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    52    58.35000  112.70000
   33    40    88    58.35000  112.70000
   33    40    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    44    65.00000  115.47100
   38    52    47    63.00000  111.10000
   38    52    59    58.35000  112.70000
   38    52    61    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    44    45    60.00000  119.52600
   42    44    63    60.00000  119.52600
   44    42    43    75.00000  123.78400
   44    45    46    63.00000  120.00000
   44    45    47    60.00000  119.52600
   44    63    53    63.00000  120.00000
   44    63    70    70.00000  120.00000
   45    46    49    63.00000  120.00000
   45    46    50    70.00000  120.00000
   45    47    48    75.00000  123.78400
   45    47    52    65.00000  115.47100
   46    49    53    63.00000  120.00000
   46    49    55    70.00000  120.00000
   46    50    51    35.00000  113.00000
   49    53    54    35.00000  120.00000
   49    53    63    63.00000  120.00000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   53    63    70    70.00000  120.00000
   63    44    45    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    71    35.00000  113.00000
   55    49    53    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
   50    46    49    70.00000  120.00000
   47    45    46    60.00000  119.52600
   47    52    59    63.00000  111.10000
   47    52    61    63.00000  111.10000
   52    38    39    37.50000  110.70000
   52    38    42    63.00000  111.10000
   52    47    48    80.00000  120.40000
   52    59    60    37.50000  110.70000
   52    59    64    63.00000  111.10000
   52    59    68    58.35000  112.70000
   52    61    95    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    66    58.35000  112.70000
   59    64    65    80.00000  120.40000
   59    64    72    70.00000  116.00000
   59    68    95    58.35000  112.70000
   59    68    69    37.50000  110.70000
   59    68    76    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    72    73    35.00000  109.50000
   64    72    78    75.00000  107.99600
   64    72    88    63.00000  111.10000
   72    64    65    80.00000  120.40000
   72    78    79    80.00000  120.40000
   72    78    80    65.00000  115.47100
   72    88    83    63.00000  111.10000
   72    88    95    58.35000  112.70000
   72    88    40    58.35000  112.70000
   78    72    73    35.00000  109.50000
   78    80    81    60.00000  119.52600
   78    80    97    60.00000  119.52600
   80    78    79    75.00000  123.78400
   80    81    82    63.00000  120.00000
   80    81    83    60.00000  119.52600
   80    97    89    63.00000  120.00000
   80    97    98    70.00000  120.00000
   81    82    85    63.00000  120.00000
   81    82    86    70.00000  120.00000
   81    83    84    75.00000  123.78400
   81    83    88    65.00000  115.47100
   82    85    89    63.00000  120.00000
   82    85    91    70.00000  120.00000
   82    86    87    35.00000  113.00000
   85    89    90    35.00000  120.00000
   85    89    97    63.00000  120.00000
   85    91    92    35.00000  109.50000
   85    91    93    35.00000  109.50000
   85    91    94    35.00000  109.50000
   89    97    98    70.00000  120.00000
   97    80    81    63.00000  120.00000
   97    89    90    35.00000  120.00000
   97    98    99    35.00000  113.00000
   91    85    89    70.00000  120.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   86    82    85    70.00000  120.00000
   83    81    82    60.00000  119.52600
   83    88    95    63.00000  111.10000
   83    88    40    63.00000  111.10000
   88    72    73    37.50000  110.70000
   88    72    78    63.00000  111.10000
   88    83    84    80.00000  120.40000
   88    95    96    37.50000  110.70000
   88    95    61    58.35000  112.70000
   88    95    68    58.35000  112.70000
   88    40    66    58.35000  112.70000
   88    40    41    37.50000  110.70000
   95    61    62    37.50000  110.70000
   95    61    66    58.35000  112.70000
   95    68    69    37.50000  110.70000
   95    68    76    50.00000  109.50000
   61    52    59    58.35000  112.70000
   61    95    96    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    40    58.35000  112.70000
   61    66    74    50.00000  109.50000
   66    61    62    37.50000  110.70000
   66    40    41    37.50000  110.70000
   66    74    75    55.00000  108.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    88    95    58.35000  112.70000
   40    66    67    37.50000  110.70000
   74    66    67    35.00000  109.50000
   74    66    40    50.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    64    63.00000  111.10000
   68    95    96    37.50000  110.70000
   68    95    61    58.35000  112.70000
   68    76    77    55.00000  108.50000
   76    68    69    35.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
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   61    52   -59    68  -0.07550 -1.0 2.0
   61    52   -59    68   0.20000  1.0 3.0
   61    95   -68    59   0.56750  1.0 1.0
   61    95   -68    59  -0.07550 -1.0 2.0
   61    95   -68    59   0.20000  1.0 3.0
   61    95    68    69   0.15000  1.0 3.0
   61    95    68    76   0.86500  1.0 1.0
   61    95    68    76  -0.17500 -1.0 2.0
   61    95    68    76   0.20800  1.0 3.0
   61    66   -40    33   0.56750  1.0 1.0
   61    66   -40    33  -0.07550 -1.0 2.0
   61    66   -40    33   0.20000  1.0 3.0
   61    66   -40    88   0.56750  1.0 1.0
   61    66   -40    88  -0.07550 -1.0 2.0
   61    66   -40    88   0.20000  1.0 3.0
   61    66    40    41   0.15000  1.0 3.0
   61    66    74    75  -0.11600  1.0 1.0
   61    66    74    75  -0.09450 -1.0 2.0
   61    66    74    75   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    40   0.15000  1.0 3.0
   62    61    66    74   0.23400  1.0 3.0
   67    66    40    33   0.15000  1.0 3.0
   67    66    40    88   0.15000  1.0 3.0
   67    66    40    41   0.15000  1.0 3.0
   67    66    74    75   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33   -38    52   0.56750  1.0 1.0
   40    33   -38    52  -0.07550 -1.0 2.0
   40    33   -38    52   0.20000  1.0 3.0
   40    88    95    96   0.15000  1.0 3.0
   40    88   -95    61   0.56750  1.0 1.0
   40    88   -95    61  -0.07550 -1.0 2.0
   40    88   -95    61   0.20000  1.0 3.0
   40    88    95    68   0.56750  1.0 1.0
   40    88    95    68  -0.07550 -1.0 2.0
   40    88    95    68   0.20000  1.0 3.0
   40    66    74    75  -0.11600  1.0 1.0
   40    66    74    75  -0.09450 -1.0 2.0
   40    66    74    75   0.21250  1.0 3.0
   74    66    40    33   0.86500  1.0 1.0
   74    66    40    33  -0.17500 -1.0 2.0
   74    66    40    33   0.20800  1.0 3.0
   74    66    40    88   0.86500  1.0 1.0
   74    66    40    88  -0.17500 -1.0 2.0
   74    66    40    88   0.20800  1.0 3.0
   74    66    40    41   0.23400  1.0 3.0
   68    59    64    65   0.30150 -1.0 2.0
   68    59   -64    72   0.60050  1.0 1.0
   68    59   -64    72   0.05600 -1.0 2.0
   68    59   -64    72   0.26150  1.0 3.0
   68    95   -61    52   0.56750  1.0 1.0
   68    95   -61    52  -0.07550 -1.0 2.0
   68    95   -61    52   0.20000  1.0 3.0
   68    95    61    62   0.15000  1.0 3.0
   68    95    61    66   0.56750  1.0 1.0
   68    95    61    66  -0.07550 -1.0 2.0
   68    95    61    66   0.20000  1.0 3.0
   69    68    76    77   0.19450  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
   36    30    35    37  10.50000 -1.0 2.0
   38    44    42    43  10.50000 -1.0 2.0
   45    63    44    42   4.00000 -1.0 2.0
   46    47    45    44   4.00000 -1.0 2.0
   49    50    46    45   4.00000 -1.0 2.0
   53    55    49    46   4.00000 -1.0 2.0
   63    54    53    49   1.10000 -1.0 2.0
   53    70    63    44   4.00000 -1.0 2.0
   45    52    47    48  10.50000 -1.0 2.0
   59    72    64    65  10.50000 -1.0 2.0
   72    80    78    79  10.50000 -1.0 2.0
   81    97    80    78   4.00000 -1.0 2.0
   82    83    81    80   4.00000 -1.0 2.0
   85    86    82    81   4.00000 -1.0 2.0
   89    91    85    82   4.00000 -1.0 2.0
   97    90    89    85   1.10000 -1.0 2.0
   89    98    97    80   4.00000 -1.0 2.0
   81    88    83    84  10.50000 -1.0 2.0
END
