COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.586   0.337  -4.396  1.00  0.00           N  
HETATM    2  C   UNL     1       2.595   0.178  -3.062  1.00  0.00           C  
HETATM    3  C   UNL     1       1.201   0.005  -2.619  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.964   0.000  -4.128  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.477   0.113  -5.439  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.532   0.317  -6.471  1.00  0.00           C  
HETATM    7  C   UNL     1       0.797   0.400  -6.204  1.00  0.00           C  
HETATM    8  C   UNL     1       1.294   0.287  -4.905  1.00  0.00           C  
HETATM    9  C   UNL     1       0.390   0.077  -3.856  1.00  0.00           C  
HETATM   10  O   UNL     1       3.580   0.176  -2.346  1.00  0.00           O  
HETATM   11  N   UNL     1       0.770  -0.178  -1.390  1.00  0.00           N  
HETATM   12  S   UNL     1      -2.438  -0.241  -3.170  1.00  0.00           S  
HETATM   13  C   UNL     1      -3.576  -0.181  -4.480  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.820   0.008  -5.524  1.00  0.00           N  
HETATM   15  N   UNL     1       1.610  -0.223  -0.412  1.00  0.00           N  
HETATM   16  C   UNL     1       1.153  -0.419   0.890  1.00  0.00           C  
HETATM   17  C   UNL     1       2.057  -0.468   1.945  1.00  0.00           C  
HETATM   18  C   UNL     1       1.601  -0.662   3.234  1.00  0.00           C  
HETATM   19  C   UNL     1       0.247  -0.808   3.476  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.654  -0.766   2.428  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.206  -0.566   1.137  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.246  -1.021   4.884  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.590   0.585   5.653  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.734   1.204   5.082  1.00  0.00           O  
HETATM   25  O   UNL     1       0.605   1.306   5.917  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.114   0.173   7.169  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.235  -0.577   8.068  1.00  0.00           C  
HETATM   28  H   UNL     1       3.381   0.470  -4.936  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.874   0.411  -7.491  1.00  0.00           H  
HETATM   30  H   UNL     1       1.488   0.557  -7.019  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.650  -0.278  -4.440  1.00  0.00           H  
HETATM   32  H   UNL     1       2.560  -0.121  -0.583  1.00  0.00           H  
HETATM   33  H   UNL     1       3.114  -0.354   1.757  1.00  0.00           H  
HETATM   34  H   UNL     1       2.302  -0.700   4.054  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.710  -0.880   2.620  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.911  -0.529   0.320  1.00  0.00           H  
HETATM   37  H   UNL     1       0.516  -1.544   5.461  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.158  -1.617   4.863  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.002   0.429   7.461  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.748  -0.755   9.013  1.00  0.00           H  
HETATM   41  H   UNL     1       0.022  -1.532   7.610  1.00  0.00           H  
HETATM   42  H   UNL     1       0.674  -0.004   8.250  1.00  0.00           H  
CONECT    1    2    8   28                                            
CONECT    2    1    3   10   10                                       
CONECT    3    2    9   11   11                                       
CONECT    4    5    5    9   12                                       
CONECT    5    4    4    6   14                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    8   30                                       
CONECT    8    1    7    9    9                                       
CONECT    9    3    4    8    8                                       
CONECT   10    2    2                                                 
CONECT   11    3    3   15                                            
CONECT   12    4   13                                                 
CONECT   13   12   14   14   31                                       
CONECT   14    5   13   13                                            
CONECT   15   11   16   32                                            
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   33                                       
CONECT   18   17   19   19   34                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   35                                       
CONECT   21   16   20   20   36                                       
CONECT   22   19   23   37   38                                       
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   39                                            
CONECT   27   26   40   41   42                                       
CONECT   28    1                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
