COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.628  -0.187   0.469  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.189  -0.456   0.415  1.00  0.00           N  
HETATM    3  S   UNL     1      -0.800  -2.899   1.258  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.861   1.264   0.899  1.00  0.00           C  
HETATM    5  N   UNL     1       1.607  -1.918   0.710  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.340   1.461   2.215  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.365   1.555   0.895  1.00  0.00           C  
HETATM    8  N   UNL     1       2.493  -0.912   0.301  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.587   2.927   1.226  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.925   1.265  -0.501  1.00  0.00           C  
HETATM   11  N   UNL     1       6.430   1.872  -0.975  1.00  0.00           N  
HETATM   12  O   UNL     1      -5.341   1.463  -0.498  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.613  -0.186  -0.877  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.201  -0.397  -0.823  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.117  -0.465  -2.294  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.931  -1.848  -2.602  1.00  0.00           O  
HETATM   17  C   UNL     1       0.283  -1.670   0.759  1.00  0.00           C  
HETATM   18  C   UNL     1       3.768  -1.150   0.254  1.00  0.00           C  
HETATM   19  C   UNL     1       4.700  -0.092  -0.176  1.00  0.00           C  
HETATM   20  C   UNL     1       6.080  -0.328  -0.234  1.00  0.00           C  
HETATM   21  C   UNL     1       6.915   0.691  -0.642  1.00  0.00           C  
HETATM   22  C   UNL     1       5.138   2.137  -0.934  1.00  0.00           C  
HETATM   23  C   UNL     1       4.231   1.178  -0.538  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.097  -0.859   1.188  1.00  0.00           H  
HETATM   25  H   UNL     1       0.424   0.241   0.133  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.358   1.935   0.203  1.00  0.00           H  
HETATM   27  H   UNL     1       1.946  -2.792   0.957  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.391   1.290   2.293  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.861   0.918   1.627  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.251   3.181   2.096  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.465   1.937  -1.225  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.611   2.362  -0.262  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.108  -0.858  -0.176  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.177  -0.219  -2.358  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.559   0.143  -3.005  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.230  -2.098  -3.487  1.00  0.00           H  
HETATM   37  H   UNL     1       4.146  -2.124   0.529  1.00  0.00           H  
HETATM   38  H   UNL     1       6.483  -1.292   0.037  1.00  0.00           H  
HETATM   39  H   UNL     1       7.980   0.519  -0.691  1.00  0.00           H  
HETATM   40  H   UNL     1       4.787   3.119  -1.215  1.00  0.00           H  
HETATM   41  H   UNL     1       3.175   1.402  -0.507  1.00  0.00           H  
CONECT    1    2   14    4   24                                       
CONECT    2    1   17   25                                            
CONECT    3   17   17                                                 
CONECT    4    1    7    6   26                                       
CONECT    5    8   17   27                                            
CONECT    6    4   28                                                 
CONECT    7    4    9   10   29                                       
CONECT    8    5   18   18                                            
CONECT    9    7   30                                                 
CONECT   10    7   12   13   31                                       
CONECT   11   21   21   22                                            
CONECT   12   10   32                                                 
CONECT   13   10   15   14   33                                       
CONECT   14    1   13                                                 
CONECT   15   13   16   34   35                                       
CONECT   16   15   36                                                 
CONECT   17    2    3    3    5                                       
CONECT   18    8    8   19   37                                       
CONECT   19   18   20   20   23                                       
CONECT   20   19   19   21   38                                       
CONECT   21   11   11   20   39                                       
CONECT   22   11   23   23   40                                       
CONECT   23   19   22   22   41                                       
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
