COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.215  -1.042   0.533  1.00  0.00           C  
HETATM    2  N   UNL     1       2.113   1.128  -1.560  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.206   0.492  -0.741  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.277  -0.088  -1.395  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.878  -1.217  -0.870  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.407  -1.766   0.308  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.335  -1.186   0.961  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.902  -0.078   0.642  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.217   0.417  -0.454  1.00  0.00           C  
HETATM   10  O   UNL     1       5.538  -2.974   1.642  1.00  0.00           O  
HETATM   11  C   UNL     1       3.372  -0.621  -0.488  1.00  0.00           C  
HETATM   12  C   UNL     1       2.955   0.703  -0.541  1.00  0.00           C  
HETATM   13  C   UNL     1       3.388   1.609   0.439  1.00  0.00           C  
HETATM   14  O   UNL     1       1.595  -1.096  -2.496  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.129  -0.274  -0.796  1.00  0.00           C  
HETATM   16  C   UNL     1       4.235   1.175   1.461  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.469   0.291   2.629  1.00  0.00           O  
HETATM   18  C   UNL     1       4.644  -0.139   1.506  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.367  -1.168   1.194  1.00  0.00           C  
HETATM   20  O   UNL     1       0.169   0.878  -3.059  1.00  0.00           O  
HETATM   21  C   UNL     1       2.949   3.017   0.390  1.00  0.00           C  
HETATM   22  O   UNL     1       2.213   3.394  -0.500  1.00  0.00           O  
HETATM   23  S   UNL     1       0.940   0.115  -2.142  1.00  0.00           S  
HETATM   24  O   UNL     1       3.366   3.886   1.332  1.00  0.00           O  
HETATM   25  O   UNL     1       4.246  -3.461  -0.393  1.00  0.00           O  
HETATM   26  S   UNL     1      -3.366   0.679   1.266  1.00  0.00           S  
HETATM   27  S   UNL     1       0.077  -1.632   0.303  1.00  0.00           S  
HETATM   28  O   UNL     1      -3.326   2.036   0.846  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.731  -0.060   0.433  1.00  0.00           C  
HETATM   30  B   UNL     1       4.681  -2.540   0.596  1.00  0.00           B  
HETATM   31  H   UNL     1       2.212   2.019  -1.931  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.737   1.375  -1.151  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.645   0.341  -2.315  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.715  -1.670  -1.380  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.876  -2.648   0.719  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.967  -1.615   1.882  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.540   1.296  -0.992  1.00  0.00           H  
HETATM   38  H   UNL     1       5.770  -3.912   1.597  1.00  0.00           H  
HETATM   39  H   UNL     1       3.042  -1.322  -1.240  1.00  0.00           H  
HETATM   40  H   UNL     1       4.570   1.870   2.217  1.00  0.00           H  
HETATM   41  H   UNL     1       5.295  -0.473   2.301  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.761  -1.687   2.055  1.00  0.00           H  
HETATM   43  H   UNL     1       3.053   4.798   1.258  1.00  0.00           H  
HETATM   44  H   UNL     1       4.584  -4.359  -0.271  1.00  0.00           H  
CONECT    1   11   11   18   30                                       
CONECT    2   23   12   31                                            
CONECT    3   29   29    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    7   35                                       
CONECT    7    6    6   29   36                                       
CONECT    8   19   19    9   26                                       
CONECT    9    8   15   15   37                                       
CONECT   10   30   38                                                 
CONECT   11    1    1   12   39                                       
CONECT   12    2   11   13   13                                       
CONECT   13   12   12   21   16                                       
CONECT   14   23   23                                                 
CONECT   15    9    9   23   27                                       
CONECT   16   13   18   18   40                                       
CONECT   17   26   26                                                 
CONECT   18    1   16   16   41                                       
CONECT   19    8    8   27   42                                       
CONECT   20   23   23                                                 
CONECT   21   13   22   22   24                                       
CONECT   22   21   21                                                 
CONECT   23    2   14   14   15                                       
CONECT   23   20   20                                                 
CONECT   24   21   43                                                 
CONECT   25   30   44                                                 
CONECT   26    8   17   17   28                                       
CONECT   26   28   29                                                 
CONECT   27   15   19                                                 
CONECT   28   26   26                                                 
CONECT   29    3    3    7   26                                       
CONECT   30    1   10   25                                            
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
