COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.673   0.919   1.725  1.00  0.00           C  
HETATM    2  C   UNL     1       3.564   1.007   0.224  1.00  0.00           C  
HETATM    3  C   UNL     1       2.859  -0.242  -0.310  1.00  0.00           C  
HETATM    4  C   UNL     1       2.749  -0.153  -1.810  1.00  0.00           C  
HETATM    5  C   UNL     1       4.964   1.102  -0.385  1.00  0.00           C  
HETATM    6  C   UNL     1       5.622   2.413   0.051  1.00  0.00           C  
HETATM    7  O   UNL     1       3.159   1.763   2.418  1.00  0.00           O  
HETATM    8  O   UNL     1       2.162  -1.144  -2.499  1.00  0.00           O  
HETATM    9  O   UNL     1       3.189   0.809  -2.393  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.903  -3.332  -0.007  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.225  -2.045   2.056  1.00  0.00           O  
HETATM   12  S   UNL     1      -0.520  -2.143   0.670  1.00  0.00           S  
HETATM   13  N   UNL     1       0.829  -1.592  -0.117  1.00  0.00           N  
HETATM   14  C   UNL     1       1.459  -0.337   0.300  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.814  -0.984   0.372  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.643  -1.140  -0.723  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.003   0.077   1.237  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.658  -0.231  -0.957  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.015   0.989   1.001  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.844   0.833  -0.095  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.930   1.807  -0.346  1.00  0.00           N1+
HETATM   22  O   UNL     1      -5.660   1.670  -1.311  1.00  0.00           O1-
HETATM   23  O   UNL     1      -5.094   2.745   0.414  1.00  0.00           O  
HETATM   24  H   UNL     1       4.212   0.101   2.180  1.00  0.00           H  
HETATM   25  H   UNL     1       2.989   1.893  -0.047  1.00  0.00           H  
HETATM   26  H   UNL     1       3.434  -1.127  -0.039  1.00  0.00           H  
HETATM   27  H   UNL     1       5.567   0.262  -0.042  1.00  0.00           H  
HETATM   28  H   UNL     1       4.890   1.076  -1.472  1.00  0.00           H  
HETATM   29  H   UNL     1       5.696   2.439   1.138  1.00  0.00           H  
HETATM   30  H   UNL     1       5.018   3.254  -0.292  1.00  0.00           H  
HETATM   31  H   UNL     1       6.619   2.481  -0.383  1.00  0.00           H  
HETATM   32  H   UNL     1       2.092  -1.088  -3.462  1.00  0.00           H  
HETATM   33  H   UNL     1       1.202  -2.100  -0.854  1.00  0.00           H  
HETATM   34  H   UNL     1       0.855   0.504  -0.044  1.00  0.00           H  
HETATM   35  H   UNL     1       1.533  -0.311   1.387  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.497  -1.972  -1.397  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.356   0.199   2.093  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.305  -0.353  -1.813  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.161   1.821   1.674  1.00  0.00           H  
CONECT    1    2    7    7   24                                       
CONECT    2    1    3    5   25                                       
CONECT    3    2    4   14   26                                       
CONECT    4    3    8    9    9                                       
CONECT    5    2    6   27   28                                       
CONECT    6    5   29   30   31                                       
CONECT    7    1    1                                                 
CONECT    8    4   32                                                 
CONECT    9    4    4                                                 
CONECT   10   12   12                                                 
CONECT   11   12   12                                                 
CONECT   12   10   10   11   11                                       
CONECT   12   13   15                                                 
CONECT   13   12   14   33                                            
CONECT   14    3   13   34   35                                       
CONECT   15   12   16   16   17                                       
CONECT   16   15   15   18   36                                       
CONECT   17   15   19   19   37                                       
CONECT   18   16   20   20   38                                       
CONECT   19   17   17   20   39                                       
CONECT   20   18   18   19   21                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   21   21                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
