COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.276   2.404   0.122  1.00  0.00           C  
HETATM    2  C   UNL     1       4.254   0.265  -0.310  1.00  0.00           C  
HETATM    3  C   UNL     1       4.166   1.573   0.165  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.574  -3.103   0.552  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.280  -3.276  -0.182  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.304  -2.508   0.382  1.00  0.00           C  
HETATM    7  C   UNL     1       0.319  -0.933   0.446  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.789  -4.403   0.169  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.766  -5.152  -0.394  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.521  -4.590  -0.574  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.844  -0.302   1.297  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.554   0.482   0.191  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.527   1.482   0.820  1.00  0.00           C  
HETATM   14  C   UNL     1       2.191   0.571   0.407  1.00  0.00           C  
HETATM   15  C   UNL     1       0.889   0.334   0.712  1.00  0.00           C  
HETATM   16  C   UNL     1       2.302   2.977   1.201  1.00  0.00           C  
HETATM   17  C   UNL     1       6.466   1.934  -0.399  1.00  0.00           C  
HETATM   18  C   UNL     1       6.553   0.639  -0.877  1.00  0.00           C  
HETATM   19  C   UNL     1       5.452  -0.194  -0.837  1.00  0.00           C  
HETATM   20  N   UNL     1       2.859   1.754   0.615  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.913  -1.260   0.695  1.00  0.00           N1+
HETATM   22  O   UNL     1       3.040  -0.316  -0.150  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.296   3.361   0.253  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.453   3.269  -1.160  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.245   1.564  -1.220  1.00  0.00           O  
HETATM   26  S   UNL     1       1.175  -2.288  -0.275  1.00  0.00           S  
HETATM   27  S   UNL     1      -4.368   2.412  -0.491  1.00  0.00           S  
HETATM   28  H   UNL     1       5.208   3.417   0.490  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.379  -2.532   0.989  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.763  -4.848   0.309  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.946  -6.174  -0.691  1.00  0.00           H  
HETATM   32  H   UNL     1       0.276  -5.176  -1.010  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.293   0.388   1.936  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.582  -0.839   1.893  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.816   1.019  -0.405  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.105  -0.208  -0.448  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.265   0.946   1.416  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.976   2.172   1.459  1.00  0.00           H  
HETATM   39  H   UNL     1       0.288   1.113   1.159  1.00  0.00           H  
HETATM   40  H   UNL     1       1.886   3.601   0.410  1.00  0.00           H  
HETATM   41  H   UNL     1       1.515   2.715   1.908  1.00  0.00           H  
HETATM   42  H   UNL     1       3.090   3.523   1.719  1.00  0.00           H  
HETATM   43  H   UNL     1       7.331   2.580  -0.434  1.00  0.00           H  
HETATM   44  H   UNL     1       7.486   0.277  -1.283  1.00  0.00           H  
HETATM   45  H   UNL     1       5.525  -1.205  -1.212  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.821   3.932  -0.325  1.00  0.00           H  
CONECT    1   17   17    3   28                                       
CONECT    2    3    3   19   22                                       
CONECT    3    1   20    2    2                                       
CONECT    4    6    8    8   29                                       
CONECT    5   26    6    6   10                                       
CONECT    6   21    5    5    4                                       
CONECT    7   15   26   21   21                                       
CONECT    8    4    4    9   30                                       
CONECT    9   10   10    8   31                                       
CONECT   10    5    9    9   32                                       
CONECT   11   21   12   33   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   27   37   38                                       
CONECT   14   20   22   15   15                                       
CONECT   15   14   14    7   39                                       
CONECT   16   20   40   41   42                                       
CONECT   17    1    1   18   43                                       
CONECT   18   17   19   19   44                                       
CONECT   19   18   18    2   45                                       
CONECT   20   16    3   14                                            
CONECT   21    7    7   11    6                                       
CONECT   22    2   14                                                 
CONECT   23   27   46                                                 
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26    7    5                                                 
CONECT   27   13   25   25   24                                       
CONECT   27   24   23                                                 
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
