COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       7.413   0.975   0.046  1.00  0.00           C  
HETATM    2  C   UNL     1       7.946  -0.299  -0.090  1.00  0.00           C  
HETATM    3  C   UNL     1       7.115  -1.396  -0.197  1.00  0.00           C  
HETATM    4  C   UNL     1       5.740  -1.226  -0.167  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.790  -0.028   0.154  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.079   0.612  -0.164  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.703   0.091   0.146  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.378   0.778   1.145  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.280   1.770   0.812  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.839   1.396  -1.514  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.548  -1.534   0.780  1.00  0.00           C  
HETATM   12  O   UNL     1       9.525   1.980   0.132  1.00  0.00           O1-
HETATM   13  N   UNL     1       8.318   2.141   0.159  1.00  0.00           N1+
HETATM   14  O   UNL     1       7.855   3.261   0.279  1.00  0.00           O  
HETATM   15  N   UNL     1       4.663  -2.094  -0.248  1.00  0.00           N  
HETATM   16  C   UNL     1       3.527  -1.339  -0.160  1.00  0.00           C  
HETATM   17  S   UNL     1       1.884  -1.972  -0.211  1.00  0.00           S  
HETATM   18  C   UNL     1       0.948  -0.432  -0.044  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.528  -0.737  -0.063  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.909  -1.882  -0.178  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.424   0.264   0.048  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.733   0.900  -0.268  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.490  -0.604   0.363  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.816  -0.885   0.471  1.00  0.00           O  
HETATM   25  C   UNL     1      -9.510   2.078  -0.516  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.940   0.400  -1.186  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.201  -1.247   0.677  1.00  0.00           C  
HETATM   28  N   UNL     1       3.843  -0.073  -0.032  1.00  0.00           N  
HETATM   29  C   UNL     1       5.195   0.062  -0.029  1.00  0.00           C  
HETATM   30  C   UNL     1       6.049   1.163   0.072  1.00  0.00           C  
HETATM   31  H   UNL     1       9.017  -0.432  -0.113  1.00  0.00           H  
HETATM   32  H   UNL     1       7.536  -2.385  -0.303  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.813   1.335  -0.488  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.198   0.537   2.182  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.806   2.304   1.589  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.024   1.636  -2.551  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.868  -2.480   1.191  1.00  0.00           H  
HETATM   38  H   UNL     1       4.707  -3.057  -0.348  1.00  0.00           H  
HETATM   39  H   UNL     1       1.208   0.050   0.898  1.00  0.00           H  
HETATM   40  H   UNL     1       1.192   0.233  -0.872  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.123   1.186   0.055  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.413   1.847  -0.678  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.213   2.857  -0.775  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.416  -0.133  -1.966  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.468  -1.970   1.001  1.00  0.00           H  
HETATM   46  H   UNL     1       5.641   2.157   0.174  1.00  0.00           H  
CONECT    1   30   13    2    2                                       
CONECT    2    1    1    3   31                                       
CONECT    3    4    4    2   32                                       
CONECT    4   29   15    3    3                                       
CONECT    5   22   21   27   27                                       
CONECT    6   22   22   23   33                                       
CONECT    7   26   24    8    8                                       
CONECT    8    7    7    9   34                                       
CONECT    9   25   25    8   35                                       
CONECT   10   26   26   25   36                                       
CONECT   11   23   23   27   37                                       
CONECT   12   13                                                      
CONECT   13   12    1   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16    4   38                                            
CONECT   16   28   28   17   15                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   39   40                                       
CONECT   19   20   20   18   21                                       
CONECT   20   19   19                                                 
CONECT   21   19    5   41                                            
CONECT   22    6    6    5   42                                       
CONECT   23    6   24   11   11                                       
CONECT   24    7   23                                                 
CONECT   25   10    9    9   43                                       
CONECT   26   10   10    7   44                                       
CONECT   27    5    5   11   45                                       
CONECT   28   29   16   16                                            
CONECT   29   28   30   30    4                                       
CONECT   30   29   29    1   46                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
