COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       0.688  -2.107  -0.273  1.00  0.00           B  
HETATM    2  O   UNL     1       0.912  -2.211  -1.672  1.00  0.00           O  
HETATM    3  O   UNL     1       0.855  -3.244   0.560  1.00  0.00           O  
HETATM    4  N   UNL     1       2.607  -0.142   0.712  1.00  0.00           N  
HETATM    5  N   UNL     1       3.274  -1.116  -0.044  1.00  0.00           N  
HETATM    6  N   UNL     1       4.384  -0.615  -0.462  1.00  0.00           N  
HETATM    7  C   UNL     1       0.261  -0.732   0.352  1.00  0.00           C  
HETATM    8  C   UNL     1       1.309  -0.289   1.375  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.038  -0.879   1.015  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.149  -0.380   0.439  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.484  -0.531   1.121  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.556   0.108   0.276  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.263  -0.515  -0.669  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.195   0.278  -1.316  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.245   1.543  -0.898  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.075   0.191  -0.629  1.00  0.00           O  
HETATM   17  C   UNL     1       4.499   0.651  -0.025  1.00  0.00           C  
HETATM   18  C   UNL     1       3.391   0.954   0.717  1.00  0.00           C  
HETATM   19  C   UNL     1       5.630   1.556  -0.294  1.00  0.00           C  
HETATM   20  O   UNL     1       5.625   2.685   0.155  1.00  0.00           O  
HETATM   21  O   UNL     1       6.669   1.133  -1.040  1.00  0.00           O  
HETATM   22  S   UNL     1      -5.070   1.786   0.389  1.00  0.00           S  
HETATM   23  H   UNL     1       0.773  -1.386  -2.155  1.00  0.00           H  
HETATM   24  H   UNL     1       1.123  -4.043   0.085  1.00  0.00           H  
HETATM   25  H   UNL     1       0.183   0.018  -0.436  1.00  0.00           H  
HETATM   26  H   UNL     1       1.386  -1.038   2.163  1.00  0.00           H  
HETATM   27  H   UNL     1       1.012   0.665   1.810  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.097  -1.335   1.869  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.708  -1.590   1.252  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.452  -0.044   2.096  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.119  -1.557  -0.911  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.833  -0.100  -2.102  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.908   2.302  -1.286  1.00  0.00           H  
HETATM   34  H   UNL     1       3.182   1.893   1.207  1.00  0.00           H  
HETATM   35  H   UNL     1       7.387   1.763  -1.190  1.00  0.00           H  
CONECT    1    7    3    2                                            
CONECT    2    1   23                                                 
CONECT    3    1   24                                                 
CONECT    4    8   18    5                                            
CONECT    5    4    6    6                                            
CONECT    6   17    5    5                                            
CONECT    7    9    8    1   25                                       
CONECT    8    7    4   26   27                                       
CONECT    9   10    7   28                                            
CONECT   10   11   16   16    9                                       
CONECT   11   12   10   29   30                                       
CONECT   12   13   13   11   22                                       
CONECT   13   12   12   14   31                                       
CONECT   14   13   15   15   32                                       
CONECT   15   14   14   22   33                                       
CONECT   16   10   10                                                 
CONECT   17   18   18   19    6                                       
CONECT   18    4   17   17   34                                       
CONECT   19   20   20   17   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   35                                                 
CONECT   22   12   15                                                 
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   21                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
