COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.196  -2.074   0.812  1.00  0.00           C  
HETATM    2  C   UNL     1       7.197   0.221   1.228  1.00  0.00           C  
HETATM    3  O   UNL     1       6.096  -2.435  -0.851  1.00  0.00           O  
HETATM    4  C   UNL     1       3.703  -0.966  -0.789  1.00  0.00           C  
HETATM    5  C   UNL     1       2.619  -0.121  -0.853  1.00  0.00           C  
HETATM    6  C   UNL     1       2.731   1.193  -0.408  1.00  0.00           C  
HETATM    7  C   UNL     1       3.940   1.657   0.103  1.00  0.00           C  
HETATM    8  C   UNL     1       5.028   0.817   0.171  1.00  0.00           C  
HETATM    9  C   UNL     1       0.355   1.546  -0.274  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.990  -0.234   0.303  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.116   0.570   0.117  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.684   2.349  -0.453  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.695   4.074  -0.858  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.477   0.030   0.323  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.942  -1.111  -0.211  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.832  -0.465   0.957  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.418  -3.386  -1.061  1.00  0.00           O  
HETATM   18  N   UNL     1       7.128  -1.096   0.590  1.00  0.00           N  
HETATM   19  C   UNL     1       6.081  -1.408  -0.200  1.00  0.00           C  
HETATM   20  C   UNL     1       4.918  -0.503  -0.276  1.00  0.00           C  
HETATM   21  N   UNL     1       1.632   2.045  -0.474  1.00  0.00           N  
HETATM   22  N   UNL     1       0.210   0.282   0.096  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.921   1.908  -0.271  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.980   2.730  -0.465  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.264  -1.396   0.141  1.00  0.00           C  
HETATM   26  S   UNL     1      -4.722   0.782   1.307  1.00  0.00           S  
HETATM   27  C   UNL     1      -5.979  -2.590  -0.333  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.257  -2.803   0.040  1.00  0.00           O  
HETATM   29  H   UNL     1       8.967  -1.948   0.051  1.00  0.00           H  
HETATM   30  H   UNL     1       8.631  -1.919   1.799  1.00  0.00           H  
HETATM   31  H   UNL     1       7.784  -3.081   0.749  1.00  0.00           H  
HETATM   32  H   UNL     1       8.031   0.243   1.929  1.00  0.00           H  
HETATM   33  H   UNL     1       7.343   0.987   0.466  1.00  0.00           H  
HETATM   34  H   UNL     1       6.267   0.415   1.764  1.00  0.00           H  
HETATM   35  H   UNL     1       3.614  -1.986  -1.131  1.00  0.00           H  
HETATM   36  H   UNL     1       1.680  -0.478  -1.250  1.00  0.00           H  
HETATM   37  H   UNL     1       4.024   2.677   0.448  1.00  0.00           H  
HETATM   38  H   UNL     1       5.965   1.178   0.567  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.098  -1.266   0.602  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.152   4.068  -1.803  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.629   4.623  -0.979  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.087   4.555  -0.092  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.350  -1.748  -0.851  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.843  -0.512   1.334  1.00  0.00           H  
HETATM   45  H   UNL     1       1.760   2.989  -0.661  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.686  -3.601  -0.296  1.00  0.00           H  
CONECT    1   18   29   30   31                                       
CONECT    2   18   32   33   34                                       
CONECT    3   19   19                                                 
CONECT    4    5    5   20   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5   21    7    7                                       
CONECT    7    6    6    8   37                                       
CONECT    8   20   20    7   38                                       
CONECT    9   22   21   12   12                                       
CONECT   10   22   22   11   39                                       
CONECT   11   10   14   23   23                                       
CONECT   12    9    9   23                                            
CONECT   13   24   40   41   42                                       
CONECT   14   26   11   15   15                                       
CONECT   15   14   14   25   43                                       
CONECT   16   26   25   25   44                                       
CONECT   17   27   27                                                 
CONECT   18    1   19    2                                            
CONECT   19   18   20    3    3                                       
CONECT   20    4   19    8    8                                       
CONECT   21    9    6   45                                            
CONECT   22   10   10    9                                            
CONECT   23   11   11   12   24                                       
CONECT   24   23   13                                                 
CONECT   25   16   16   15   27                                       
CONECT   26   16   14                                                 
CONECT   27   25   17   17   28                                       
CONECT   28   27   46                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   21                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
