COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.202  -4.906  -1.888  1.00  0.00           N  
HETATM    2  C   UNL     1       1.088  -4.007  -1.203  1.00  0.00           C  
HETATM    3  C   UNL     1       0.941  -2.843  -0.314  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.538  -2.641   0.022  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.705  -1.308   1.234  1.00  0.00           S  
HETATM    6  C   UNL     1      -0.435   0.088   0.193  1.00  0.00           C  
HETATM    7  C   UNL     1       0.844   0.689   0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       1.937   0.198   0.820  1.00  0.00           C  
HETATM    9  C   UNL     1       3.164   0.810   0.696  1.00  0.00           C  
HETATM   10  O   UNL     1       4.228   0.337   1.397  1.00  0.00           O  
HETATM   11  C   UNL     1       5.473   1.017   1.225  1.00  0.00           C  
HETATM   12  C   UNL     1       3.324   1.915  -0.144  1.00  0.00           C  
HETATM   13  C   UNL     1       2.277   2.410  -0.858  1.00  0.00           C  
HETATM   14  C   UNL     1       1.010   1.808  -0.756  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.032   2.280  -1.451  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.222   1.731  -1.368  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.353   2.311  -2.177  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.466   0.629  -0.561  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.845   0.025  -0.500  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.638   0.677   0.635  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.997  -0.012   0.770  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.789   0.640   1.905  1.00  0.00           C  
HETATM   23  H   UNL     1       1.502  -3.014   0.605  1.00  0.00           H  
HETATM   24  H   UNL     1       1.325  -1.954  -0.813  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.084  -2.379  -0.885  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.946  -3.563   0.437  1.00  0.00           H  
HETATM   27  H   UNL     1       1.818  -0.656   1.471  1.00  0.00           H  
HETATM   28  H   UNL     1       4.294   2.383  -0.228  1.00  0.00           H  
HETATM   29  H   UNL     1       5.363   2.058   1.528  1.00  0.00           H  
HETATM   30  H   UNL     1       6.236   0.539   1.839  1.00  0.00           H  
HETATM   31  H   UNL     1       5.769   0.972   0.177  1.00  0.00           H  
HETATM   32  H   UNL     1       2.418   3.264  -1.503  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.390   1.823  -3.152  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.295   2.148  -1.653  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.192   3.380  -2.312  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.359   0.196  -1.446  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.765  -1.046  -0.318  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.085   0.577   1.569  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.787   1.734   0.414  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.550   0.089  -0.164  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.847  -1.069   0.992  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.236   0.539   2.839  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.938   1.697   1.683  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.757   0.149   2.001  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4   23   24                                       
CONECT    4    3    5   25   26                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   18   18                                       
CONECT    7    6    8   14   14                                       
CONECT    8    7    9    9   27                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11                                                 
CONECT   11   10   29   30   31                                       
CONECT   12    9   13   13   28                                       
CONECT   13   12   12   14   32                                       
CONECT   14    7    7   13   15                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   18                                       
CONECT   17   16   33   34   35                                       
CONECT   18    6    6   16   19                                       
CONECT   19   18   20   36   37                                       
CONECT   20   19   21   38   39                                       
CONECT   21   20   22   40   41                                       
CONECT   22   21   42   43   44                                       
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    8                                                      
CONECT   28   12                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
