* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    194    316     586
    1     0 S   NP   _N1_     1    30.79482    99.95269   -25.59190
    2     1 S   H    _HN1     2     1.02758    73.77770  -178.63055
    3     1 S   H    _H1_     3     1.03478   160.21141   -81.74005
    4     1 S   H    _H2_     4     1.02858    54.16623   -52.31660
    5     1 S   CT   _CA1     5     1.50101    85.19258    67.79837
    6     5 S   HC   _HA1     6     1.09546   104.88462   130.00307
    7     5 S   CO3  _C1_     7     1.53651   113.30483     9.39438
    8     7 S   O2Z  _O11     8     1.26399   115.08070   -32.59898
    9     7 S   O2Z  _O12     9     1.26233   115.03168   146.74820
   10     5 S   CT   _CB1    10     1.53007   107.42891  -111.54961
   11    10 S   HC   HB11    11     1.09540   109.43363   -39.76156
   12    10 S   HC   HB12    12     1.09838   110.45391    75.82188
   13    10 S   CT   _CG1    13     1.53240   113.02131  -162.30481
   14    13 S   HC   HG11    14     1.09546   110.92019   -94.01819
   15    13 S   HC   HG12    15     1.09611   111.56783    25.28861
   16    13 S   C    _CD1    16     1.51547   109.29890   145.93094
   17    16 S   O    _OE1    17     1.22797   121.84865    86.58779
   18    16 S   N    _N2_    18     1.38577   112.48090   -90.00811
   19    18 S   H    _HN2    19     1.01585   119.10214    -4.92111
   20    18 S   CT1  _CA2    20     1.46219   123.61781   173.17542
   21    20 S   HC   _HA2    21     1.09714   109.23163   -10.37695
   22    20 S   C    _C2_    22     1.53836   108.76196  -126.12054
   23    22 S   O    _O2_    23     1.23074   122.11477  -156.05976
   24    20 S   CT   _CB2    32     1.53503   111.69941   112.09818
   25    24 S   HC   HB21    33     1.09408   109.27199    57.13763
   26    24 S   HC   HB22    34     1.09460   109.87455   175.57278
   27    22 S   N    _N3_    24     1.38338   113.97037    30.67809
   28    27 S   H    _HN3    25     1.01439   119.06152    -1.80959
   29    24 S   S    _SG2    35     1.82898   111.52838   -65.12441
   30    27 S   CT   _CA3    26     1.45323   123.51026   178.33940
   31    30 S   HC   HA31    27     1.09548   107.19144   -71.26202
   32    30 S   HC   HA32    28     1.09554   108.26990    45.13223
   33    29 S   CT   _C20    36     1.91917   102.17367   162.43470
   34    30 S   CO3  _C3_    29     1.53066   114.33761   167.26752
   35    34 S   O2Z  _O31    30     1.26433   116.34498    -5.37378
   36    34 S   O2Z  _O32    31     1.26400   114.44392   174.74573
   37    33 S   CM   _C6_    37     1.52648   103.30923   -66.38252
   38    37 S   HC   _H38    38     1.08762   118.26244    95.05534
   39    33 S   CT   _C12    53     1.54065   108.98577    55.25275
   40    39 S   HC   _H41    54     1.09604   111.67271   -58.40186
   41    39 S   HC   _H42    55     1.09736   110.13382  -173.78479
   42    37 S   CMA  _C7_    39     1.35362   121.99865   -84.00532
   43    42 S   OM   _O26    40     1.25865   131.22263   178.42953
   44    42 S   CM   _C4_    41     1.46984   117.20361    -0.33572
   45    44 S   HC   _H36    42     1.08822   119.28730   160.05691
   46    44 S   CM   _C5_    43     1.34821   121.95443   -20.38929
   47    46 S   HC   _H37    44     1.08398   119.07177  -178.23076
   48    33 S   CT   _C19    45     1.60245   112.99640   176.01759
   49    48 S   CT   _C23    46     1.58405   110.08662   -61.77537
   50    49 S   F    _F34    47     1.37823   107.21036    60.55967
   51    48 S   CT   _C26    97     1.56757   110.63798   176.61783
   52    51 S   HC   _H57    98     1.09213   113.10851    77.71884
   53    51 S   HC   _H58    99     1.09530   112.78601   -42.40756
   54    51 S   HC   _H59   100     1.09573   111.70266  -160.88816
   55    49 S   CT   _C15    48     1.56879   110.95984   -55.28259
   56    55 S   HC   _H47    49     1.09343   109.39054   -67.71666
   57    49 S   CT   _C18    68     1.55889   116.66733   175.82533
   58    57 S   HC   _H50    69     1.09562   108.67637   -61.90683
   59    55 S   CT   _C11    50     1.54036   113.08771    50.27877
   60    59 S   HC   _H39    51     1.09719   109.29002  -170.16197
   61    59 S   HC   _H40    52     1.09607   109.95932    74.21694
   62    55 S   CT   _C16    56     1.53849   108.54747   173.95895
   63    62 S   HC   _H48    57     1.10200   105.86363   -58.53720
   64    57 S   OH   _O30    70     1.41827   112.58269    56.24446
   65    64 S   HO   _H65    71     0.97244   107.80740  -176.51328
   66    62 S   CT   _C13    58     1.52792   118.86293  -176.70973
   67    66 S   HC   _H43    59     1.09615   110.51734   -41.31439
   68    66 S   HC   _H44    60     1.09489   111.46698    78.67457
   69    66 S   CT   _C17    61     1.54700   104.51088  -159.37962
   70    69 S   HC   _H49    62     1.09756   109.18472   122.12116
   71    69 S   CT   _C21    63     1.56069   106.33410     3.09478
   72    69 S   OS   _O34    90     1.43810   111.22309  -117.49429
   73    62 S   CT   _C22    64     1.55065   113.68929    60.41263
   74    71 S   CO4  _C8_    76     1.53465   113.53726   152.26754
   75    74 S   O    _O27    77     1.23222   121.40679  -141.31439
   76    71 S   OH   _O33    88     1.43039   109.14209   -91.58940
   77    76 S   HO   _H66    89     0.97237   108.41344  -179.98022
   78    72 S   CO4  _C9_    91     1.36267   116.84001   -78.16397
   79    78 S   O    _O28    92     1.22315   126.32029     0.36850
   80    73 S   CT   _C14    65     1.54590   107.30018   -59.82831
   81    80 S   HC   _H45    66     1.09617   110.16903   -65.38024
   82    80 S   HC   _H46    67     1.09649   109.56339   177.53963
   83    73 S   CT   _C27    72     1.55610   112.99729    61.91159
   84    83 S   HC   _H60    73     1.09390   112.94818    70.95977
   85    83 S   HC   _H61    74     1.09132   113.24150   -49.39072
   86    83 S   HC   _H62    75     1.09523   110.91320  -169.26102
   87    74 S   CT   _C28    78     1.52165   117.30659    42.83094
   88    87 S   HC   _H63    79     1.09457   108.82718    53.40214
   89    87 S   HC   _H64    80     1.09371   109.08878   -68.29184
   90    78 S   CT   _C24    93     1.49814   109.50953  -179.53691
   91    90 S   HC   _H51    94     1.09289   109.82920   -60.90779
   92    90 S   HC   _H52    95     1.09376   109.36519  -179.95577
   93    90 S   HC   _H53    96     1.09295   109.80385    60.99268
   94    87 S   OS   _O35    81     1.42928   109.00334   172.58138
   95    94 S   CO4  _C10    82     1.36271   115.16839  -179.93147
   96    95 S   O    _O29    83     1.22342   126.18171    -0.00000
   97    95 S   CT   _C25    84     1.49832   109.63622   180.00000
   98    97 S   HC   _H54    85     1.09290   109.83548   -60.91774
   99    97 S   HC   _H55    86     1.09380   109.35724  -179.96044
  100    97 S   HC   _H56    87     1.09289   109.83396    60.99934
  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
  22   2   1   1  13   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  14   6  18   9  12  10   5   4   1   5   4   6
   2   1   3   2   1   1   6   3   2   3   2   1   1   6   5   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    80    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    73    80    81    82    57    58    64    65    51    52    53    54  
   55    56    59    62    80    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    73    80    57    58    64    83  
   59    60    61    62    63    66    73    57  
   58    64    65    83    59    62    71    73    80    81    82  
   64    65    73    80    81    82  
   60    61    62    63    66    73  
   61    62  
   62  
   63    66    67    68    69    70    71    73    80    81    82    83    84    85    86    74    76    72  
   66    67    68    69    71    73    80    83  
   65    73    80    81    82  
   80  
   67    68    69    70    71    73    80    83    74    76    72    78  
   68    69    70    71    73    72  
   69    70    71    73    72  
   70    71    73    80    83    74    75    87    76    77    72    78    79    90  
   71    73    74    76    72    78  
   73    80    81    82    83    84    85    86    74    75    87    88    89    94    76    77    72    78  
   78    79    90    91    92    93    73    74    76  
   80    81    82    83    84    85    86    74    75    87    76    77  
   75    87    88    89    94    95    76    77    80    83  
   87    88    89    94    76  
   77    80    83    87  
    0  
   79    90    91    92    93  
   90    91    92    93  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    94    95    96    97  
   89    94    95  
   94    95  
   91    92    93  
   92    93  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   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  1.510
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   367.000  1.332
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    73   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    72   320.000  1.410
   71    73   268.000  1.529
   71    74   317.000  1.522
   71    76   320.000  1.410
   73    80   268.000  1.529
   73    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    75   570.000  1.229
   74    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   320.000  1.410
   94    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   76    77   553.000  0.945
   72    78   214.000  1.327
   78    79   570.000  1.229
   78    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    50.00000  109.50000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    80    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    50.00000  109.50000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    73    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    37.50000  110.70000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    73    71    58.35000  112.70000
   62    73    80    58.35000  112.70000
   62    73    83    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    72    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    74    63.00000  111.10000
   69    71    76    50.00000  109.50000
   69    72    78    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    73    80    58.35000  112.70000
   71    73    83    58.35000  112.70000
   71    74    75    80.00000  120.40000
   71    74    87    70.00000  116.00000
   71    76    77    55.00000  108.50000
   73    62    63    37.50000  110.70000
   73    62    66    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    57    58.35000  112.70000
   73    83    84    37.50000  110.70000
   73    83    85    37.50000  110.70000
   73    83    86    37.50000  110.70000
   80    57    58    37.50000  110.70000
   80    57    64    50.00000  109.50000
   82    80    81    33.00000  107.80000
   57    49    50    50.00000  109.50000
   57    49    55    58.35000  112.70000
   57    80    81    37.50000  110.70000
   57    80    82    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   83    73    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    71    73    63.00000  111.10000
   74    87    88    35.00000  109.50000
   74    87    89    35.00000  109.50000
   74    87    94    90.00000  108.74100
   87    74    75    80.00000  120.40000
   87    94    95    83.00000  116.90000
   89    87    88    33.00000  107.80000
   94    87    88    35.00000  109.50000
   94    87    89    35.00000  109.50000
   94    95    96    83.00000  123.40000
   94    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   76    71    73    50.00000  109.50000
   76    71    74    90.00000  109.61100
   72    69    70    35.00000  109.50000
   72    69    71    50.00000  109.50000
   72    78    79    83.00000  123.40000
   72    78    90    81.00000  111.40000
   78    90    91    35.00000  109.50000
   78    90    92    35.00000  109.50000
   78    90    93    35.00000  109.50000
   90    78    79    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
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   76    71    73    62  -0.17500 -1.0 2.0
   76    71    73    62   0.20800  1.0 3.0
   76    71    73    80   0.86500  1.0 1.0
   76    71    73    80  -0.17500 -1.0 2.0
   76    71    73    80   0.20800  1.0 3.0
   76    71    73    83   0.86500  1.0 1.0
   76    71    73    83  -0.17500 -1.0 2.0
   76    71    73    83   0.20800  1.0 3.0
   76    71    74    75   0.30150 -1.0 2.0
   76    71    74    87   0.55300  1.0 1.0
   76    71    74    87   1.25850 -1.0 2.0
   76    71    74    87  -0.23600  1.0 3.0
   72    69    71    73   0.62750  1.0 1.0
   72    69    71    73  -0.30950 -1.0 2.0
   72    69    71    73   0.27300  1.0 3.0
   72    69    71    74  -0.09450  1.0 1.0
   72    69    71    74  -1.12950 -1.0 2.0
   72    69    71    74   0.54000  1.0 3.0
   72    69    71    76   3.69350  1.0 1.0
   72    69    71    76  -1.82950 -1.0 2.0
   72    78    90    91   0.00000  1.0 1.0
   72    78    90    92   0.00000  1.0 1.0
   72    78    90    93   0.00000  1.0 1.0
   79    78    90    91   0.00000  1.0 1.0
   79    78    90    92   0.00000  1.0 1.0
   79    78    90    93   0.00000  1.0 1.0
   51    48    49    50   0.39650  1.0 1.0
   51    48    49    50  -0.18350 -1.0 2.0
   51    48    49    50   0.41450  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    87    74    75  10.50000 -1.0 2.0
   94    97    95    96  10.50000 -1.0 2.0
   72    90    78    79  10.50000 -1.0 2.0
END
