COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.397  -2.042  -1.183  1.00  0.00           C  
HETATM    2  C   UNL     1       3.321   1.791   1.304  1.00  0.00           C  
HETATM    3  C   UNL     1       2.599   3.123  -1.008  1.00  0.00           C  
HETATM    4  C   UNL     1       3.192   1.877  -1.085  1.00  0.00           C  
HETATM    5  C   UNL     1       2.528  -2.127   1.204  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.339   0.313  -0.187  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.423   0.626   0.968  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.991   0.565   0.504  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.338   1.653   0.116  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.023  -0.558   0.037  1.00  0.00           C  
HETATM   11  C   UNL     1       0.062  -1.368  -0.521  1.00  0.00           C  
HETATM   12  C   UNL     1       1.023  -2.522  -0.650  1.00  0.00           C  
HETATM   13  C   UNL     1       3.553   1.210   0.071  1.00  0.00           C  
HETATM   14  C   UNL     1       2.728   3.037   1.381  1.00  0.00           C  
HETATM   15  C   UNL     1       2.368   3.703   0.225  1.00  0.00           C  
HETATM   16  C   UNL     1       1.409  -3.084   0.743  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.304  -0.608   0.469  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.171  -1.579  -0.078  1.00  0.00           N  
HETATM   19  N   UNL     1       3.092  -1.502  -0.001  1.00  0.00           N  
HETATM   20  O   UNL     1      -5.876   0.065  -1.275  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.902  -1.827   0.868  1.00  0.00           O  
HETATM   22  O   UNL     1       4.904  -0.461  -1.314  1.00  0.00           O  
HETATM   23  O   UNL     1       5.039  -0.550   1.180  1.00  0.00           O  
HETATM   24  O   UNL     1       0.416  -0.244  -0.822  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.669   0.310  -0.007  1.00  0.00           O  
HETATM   26  S   UNL     1      -1.717   1.097  -0.333  1.00  0.00           S  
HETATM   27  S   UNL     1       4.308  -0.378  -0.027  1.00  0.00           S  
HETATM   28  H   UNL     1       2.954  -2.880  -1.602  1.00  0.00           H  
HETATM   29  H   UNL     1       2.262  -1.263  -1.933  1.00  0.00           H  
HETATM   30  H   UNL     1       3.599   1.268   2.208  1.00  0.00           H  
HETATM   31  H   UNL     1       2.317   3.644  -1.911  1.00  0.00           H  
HETATM   32  H   UNL     1       3.373   1.423  -2.048  1.00  0.00           H  
HETATM   33  H   UNL     1       2.115  -1.361   1.860  1.00  0.00           H  
HETATM   34  H   UNL     1       3.303  -2.688   1.728  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.641   1.626   1.343  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.579  -0.102   1.763  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.716   2.664   0.079  1.00  0.00           H  
HETATM   38  H   UNL     1       0.609  -3.303  -1.287  1.00  0.00           H  
HETATM   39  H   UNL     1       2.547   3.490   2.344  1.00  0.00           H  
HETATM   40  H   UNL     1       1.905   4.677   0.285  1.00  0.00           H  
HETATM   41  H   UNL     1       1.784  -4.104   0.658  1.00  0.00           H  
HETATM   42  H   UNL     1       0.559  -3.040   1.425  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.316  -2.594   0.799  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.216   0.103  -0.777  1.00  0.00           H  
CONECT    1   12   19   28   29                                       
CONECT    2   13   13   14   30                                       
CONECT    3    4    4   15   31                                       
CONECT    4    3    3   13   32                                       
CONECT    5   16   19   33   34                                       
CONECT    6    7   20   20   25                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9    9   17                                       
CONECT    9    8    8   26   37                                       
CONECT   10   17   18   18   26                                       
CONECT   11   12   18   24   24                                       
CONECT   12    1   11   16   38                                       
CONECT   13    2    2    4   27                                       
CONECT   14    2   15   15   39                                       
CONECT   15    3   14   14   40                                       
CONECT   16    5   12   41   42                                       
CONECT   17    8   10   21                                            
CONECT   18   10   10   11                                            
CONECT   19    1    5   27                                            
CONECT   20    6    6                                                 
CONECT   21   17   43                                                 
CONECT   22   27   27                                                 
CONECT   23   27   27                                                 
CONECT   24   11   11                                                 
CONECT   25    6   44                                                 
CONECT   26    9   10                                                 
CONECT   27   13   19   22   22                                       
CONECT   27   23   23                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
