COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.793  -2.338   0.952  1.00  0.00           C  
HETATM    2  C   UNL     1       7.028  -3.233   0.824  1.00  0.00           C  
HETATM    3  C   UNL     1       6.779  -4.295  -0.248  1.00  0.00           C  
HETATM    4  N   UNL     1       7.964  -5.154  -0.371  1.00  0.00           N  
HETATM    5  C   UNL     1       6.503  -3.612  -1.589  1.00  0.00           C  
HETATM    6  C   UNL     1       5.268  -2.717  -1.461  1.00  0.00           C  
HETATM    7  C   UNL     1       5.517  -1.655  -0.388  1.00  0.00           C  
HETATM    8  N   UNL     1       4.335  -0.798  -0.266  1.00  0.00           N  
HETATM    9  C   UNL     1       4.463   0.493   0.215  1.00  0.00           C  
HETATM   10  N   UNL     1       3.384   1.253   0.319  1.00  0.00           N  
HETATM   11  N   UNL     1       5.662   0.936   0.565  1.00  0.00           N  
HETATM   12  C   UNL     1       5.826   2.165   1.030  1.00  0.00           C  
HETATM   13  C   UNL     1       4.727   2.995   1.151  1.00  0.00           C  
HETATM   14  C   UNL     1       3.474   2.499   0.779  1.00  0.00           C  
HETATM   15  C   UNL     1       2.265   3.347   0.895  1.00  0.00           C  
HETATM   16  C   UNL     1       2.359   4.657   1.371  1.00  0.00           C  
HETATM   17  C   UNL     1       1.199   5.409   1.461  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.006   4.848   1.080  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.070   3.609   0.633  1.00  0.00           N  
HETATM   20  C   UNL     1       1.008   2.852   0.523  1.00  0.00           C  
HETATM   21  O   UNL     1       0.897   1.585   0.054  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.340   1.141  -0.296  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.142   0.525   0.637  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.641   0.346   2.047  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.410   0.064   0.295  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.807   1.316  -1.614  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.015   1.946  -2.589  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.497   2.098  -3.853  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.767   1.637  -4.196  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.561   1.022  -3.277  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.097   0.847  -1.964  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.894   0.214  -0.986  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.168  -0.253  -1.314  1.00  0.00           N  
HETATM   34  S   UNL     1      -5.392  -0.170  -0.202  1.00  0.00           S  
HETATM   35  O   UNL     1      -5.332   1.132   0.364  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.551  -0.687  -0.841  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.995  -1.296   1.095  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.771  -0.824   2.374  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.460  -1.707   3.392  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.372  -3.061   3.130  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.595  -3.534   1.850  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.913  -2.652   0.833  1.00  0.00           C  
HETATM   43 CL   UNL     1      -5.202  -3.245  -0.773  1.00  0.00          Cl  
HETATM   44  H   UNL     1       4.933  -2.945   1.235  1.00  0.00           H  
HETATM   45  H   UNL     1       5.971  -1.581   1.716  1.00  0.00           H  
HETATM   46  H   UNL     1       7.888  -2.626   0.541  1.00  0.00           H  
HETATM   47  H   UNL     1       7.225  -3.719   1.779  1.00  0.00           H  
HETATM   48  H   UNL     1       5.918  -4.902   0.035  1.00  0.00           H  
HETATM   49  H   UNL     1       7.824  -5.865  -1.074  1.00  0.00           H  
HETATM   50  H   UNL     1       8.788  -4.607  -0.570  1.00  0.00           H  
HETATM   51  H   UNL     1       7.363  -3.005  -1.872  1.00  0.00           H  
HETATM   52  H   UNL     1       6.325  -4.369  -2.353  1.00  0.00           H  
HETATM   53  H   UNL     1       5.071  -2.230  -2.416  1.00  0.00           H  
HETATM   54  H   UNL     1       4.407  -3.324  -1.178  1.00  0.00           H  
HETATM   55  H   UNL     1       6.378  -1.048  -0.671  1.00  0.00           H  
HETATM   56  H   UNL     1       3.463  -1.136  -0.521  1.00  0.00           H  
HETATM   57  H   UNL     1       6.808   2.515   1.312  1.00  0.00           H  
HETATM   58  H   UNL     1       4.833   4.002   1.527  1.00  0.00           H  
HETATM   59  H   UNL     1       3.312   5.073   1.663  1.00  0.00           H  
HETATM   60  H   UNL     1       1.236   6.425   1.825  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.910   5.435   1.150  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.120  -0.608   2.129  1.00  0.00           H  
HETATM   63  H   UNL     1       0.045   1.157   2.294  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.484   0.360   2.737  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.022  -0.417   1.043  1.00  0.00           H  
HETATM   66  H   UNL     1       0.970   2.308  -2.337  1.00  0.00           H  
HETATM   67  H   UNL     1       0.113   2.582  -4.600  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.126   1.770  -5.206  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.543   0.671  -3.557  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.337  -0.626  -2.194  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.839   0.234   2.579  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.285  -1.338   4.392  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.128  -3.750   3.925  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.527  -4.592   1.645  1.00  0.00           H  
CONECT    1    2    7   44   45                                       
CONECT    2    3    1   46   47                                       
CONECT    3    4    5    2   48                                       
CONECT    4    3   49   50                                            
CONECT    5    3    6   51   52                                       
CONECT    6    5    7   53   54                                       
CONECT    7    6    1    8   55                                       
CONECT    8    7    9   56                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   14                                            
CONECT   11    9   12   12                                            
CONECT   12   11   11   13   57                                       
CONECT   13   14   14   12   58                                       
CONECT   14   10   15   13   13                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   59                                       
CONECT   17   16   16   18   60                                       
CONECT   18   19   19   17   61                                       
CONECT   19   20   18   18                                            
CONECT   20   21   15   15   19                                       
CONECT   21   20   22                                                 
CONECT   22   23   21   26   26                                       
CONECT   23   24   25   25   22                                       
CONECT   24   23   62   63   64                                       
CONECT   25   23   23   32   65                                       
CONECT   26   22   22   31   27                                       
CONECT   27   26   28   28   66                                       
CONECT   28   27   27   29   67                                       
CONECT   29   30   30   28   68                                       
CONECT   30   31   29   29   69                                       
CONECT   31   32   32   26   30                                       
CONECT   32   25   33   31   31                                       
CONECT   33   34   32   70                                            
CONECT   34   35   35   36   36                                       
CONECT   34   33   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38   38   42                                       
CONECT   38   37   37   39   71                                       
CONECT   39   38   40   40   72                                       
CONECT   40   39   39   41   73                                       
CONECT   41   42   42   40   74                                       
CONECT   42   37   43   41   41                                       
CONECT   43   42                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
