COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.473   0.246   0.185  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.516  -0.804  -0.186  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.113  -0.260  -0.100  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.929   0.890   0.238  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.663  -1.989   0.771  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.686   3.379   0.667  1.00  0.00           C  
HETATM    7  C   UNL     1       0.296   2.264   0.417  1.00  0.00           C  
HETATM    8  C   UNL     1       2.147   0.016  -0.370  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.772  -0.550  -0.318  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.172   0.976   0.054  1.00  0.00           C  
HETATM   11  C   UNL     1       0.675  -0.054  -0.306  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.467   0.657   0.030  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.064  -1.051  -0.398  1.00  0.00           N  
HETATM   14  O   UNL     1       1.488   2.468   0.528  1.00  0.00           O  
HETATM   15  S   UNL     1      -0.313  -1.463  -0.683  1.00  0.00           S  
HETATM   16  H   UNL     1      -7.421  -0.094   0.134  1.00  0.00           H  
HETATM   17  H   UNL     1      -6.269   0.614   1.102  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.715  -1.134  -1.206  1.00  0.00           H  
HETATM   19  H   UNL     1      -6.677  -2.383   0.708  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.953  -2.769   0.495  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.463  -1.660   1.790  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.970   3.385   1.719  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.226   4.333   0.409  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.573   3.227   0.052  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.211  -1.971  -0.668  1.00  0.00           H  
HETATM   26  C   UNL     1       2.924  -0.877   0.371  1.00  0.00           C  
HETATM   27  C   UNL     1       4.305  -0.806   0.305  1.00  0.00           C  
HETATM   28  C   UNL     1       4.914   0.152  -0.495  1.00  0.00           C  
HETATM   29  C   UNL     1       4.147   1.037  -1.229  1.00  0.00           C  
HETATM   30  C   UNL     1       2.770   0.972  -1.177  1.00  0.00           C  
HETATM   31  O   UNL     1       5.065  -1.673   1.025  1.00  0.00           O  
HETATM   32  C   UNL     1       6.483  -1.542   0.910  1.00  0.00           C  
HETATM   33  H   UNL     1       2.449  -1.621   0.994  1.00  0.00           H  
HETATM   34  H   UNL     1       5.992   0.205  -0.544  1.00  0.00           H  
HETATM   35  H   UNL     1       4.627   1.780  -1.849  1.00  0.00           H  
HETATM   36  H   UNL     1       2.174   1.665  -1.752  1.00  0.00           H  
HETATM   37  H   UNL     1       6.778  -1.687  -0.129  1.00  0.00           H  
HETATM   38  H   UNL     1       6.784  -0.548   1.238  1.00  0.00           H  
HETATM   39  H   UNL     1       6.969  -2.293   1.533  1.00  0.00           H  
CONECT    1    2   16   17                                            
CONECT    2    5    3    1   18                                       
CONECT    3    4    4   13    2                                       
CONECT    4    3    3                                                 
CONECT    5    2   19   20   21                                       
CONECT    6    7   22   23   24                                       
CONECT    7    6   10   14   14                                       
CONECT    8   11   26   30   30                                       
CONECT    9   15   12   12   13                                       
CONECT   10   11   11    7   12                                       
CONECT   11    8   15   10   10                                       
CONECT   12   10    9    9                                            
CONECT   13    9    3   25                                            
CONECT   14    7    7                                                 
CONECT   15   11    9                                                 
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25   13                                                      
CONECT   26    8   27   27   33                                       
CONECT   27   26   26   28   31                                       
CONECT   28   27   29   29   34                                       
CONECT   29   28   28   30   35                                       
CONECT   30   29    8    8   36                                       
CONECT   31   27   32                                                 
CONECT   32   31   37   38   39                                       
CONECT   33   26                                                      
CONECT   34   28                                                      
CONECT   35   29                                                      
CONECT   36   30                                                      
CONECT   37   32                                                      
CONECT   38   32                                                      
CONECT   39   32                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
