COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.414  -1.037   0.857  1.00  0.00           N  
HETATM    2  C   UNL     1       6.101  -0.645   0.624  1.00  0.00           C  
HETATM    3  N   UNL     1       5.166  -0.581   1.519  1.00  0.00           N  
HETATM    4  N   UNL     1       3.934  -0.165   1.065  1.00  0.00           N  
HETATM    5  C   UNL     1       3.866   0.110  -0.200  1.00  0.00           C  
HETATM    6  S   UNL     1       2.425   0.662  -1.050  1.00  0.00           S  
HETATM    7  C   UNL     1       1.175   0.723   0.264  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.138   1.186  -0.313  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.223   1.449  -1.494  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.218   1.307   0.484  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.495   1.757  -0.077  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.625   0.871   0.452  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.427  -0.503  -0.014  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.346  -1.608   0.753  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.166  -2.666  -0.093  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.025  -4.077   0.309  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.066  -4.381   1.485  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.852  -5.030  -0.628  1.00  0.00           O  
HETATM   19  N   UNL     1      -3.139  -2.201  -1.354  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.291  -0.923  -1.345  1.00  0.00           N  
HETATM   21  B   UNL     1      -2.761   3.272   0.352  1.00  0.00           B1-
HETATM   22  O   UNL     1      -3.900   3.724  -0.253  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.908   3.342   1.710  1.00  0.00           O  
HETATM   24  S   UNL     1       5.446  -0.149  -0.933  1.00  0.00           S  
HETATM   25  H   UNL     1       7.692  -1.292   1.750  1.00  0.00           H  
HETATM   26  H   UNL     1       8.050  -1.060   0.125  1.00  0.00           H  
HETATM   27  H   UNL     1       1.053  -0.271   0.695  1.00  0.00           H  
HETATM   28  H   UNL     1       1.497   1.418   1.039  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.151   1.097   1.428  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.458   1.689  -1.164  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.621   0.889   1.542  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.581   1.245   0.086  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.410  -1.650   1.831  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.765  -5.941  -0.316  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.706   3.278   0.042  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.072   4.235   2.042  1.00  0.00           H  
HETATM   37  O   UNL     1      -1.702   4.047  -0.032  1.00  0.00           O  
HETATM   38  H   UNL     1      -0.859   3.783   0.360  1.00  0.00           H  
CONECT    1    2   25   26                                            
CONECT    2    1   24    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5                                            
CONECT    5   24    4    4    6                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   27   28                                       
CONECT    8   10    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   29                                            
CONECT   11   21   12   10   30                                       
CONECT   12   13   11   31   32                                       
CONECT   13   14   20   12                                            
CONECT   14   15   15   13   33                                       
CONECT   15   16   14   14   19                                       
CONECT   16   17   17   18   15                                       
CONECT   17   16   16                                                 
CONECT   18   16   34                                                 
CONECT   19   15   20   20                                            
CONECT   20   19   19   13                                            
CONECT   21   22   23   11   37                                       
CONECT   22   21   35                                                 
CONECT   23   21   36                                                 
CONECT   24    2    5                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   18                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   21   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
