COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.053   0.427  -0.950  1.00  0.00           N  
HETATM    2  C   UNL     1       1.073   0.033   0.350  1.00  0.00           C  
HETATM    3  C   UNL     1       2.271   0.890   0.666  1.00  0.00           C  
HETATM    4  C   UNL     1       3.520   0.193   0.192  1.00  0.00           C  
HETATM    5  C   UNL     1       5.254  -0.401  -1.129  1.00  0.00           C  
HETATM    6  C   UNL     1       5.343  -1.209   0.181  1.00  0.00           C  
HETATM    7  C   UNL     1       0.784   2.844   0.302  1.00  0.00           C  
HETATM    8  C   UNL     1       0.120  -2.177   0.314  1.00  0.00           C  
HETATM    9  N   UNL     1       4.175  -0.737   0.944  1.00  0.00           N  
HETATM   10  C   UNL     1       2.158   2.247  -0.026  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.889  -1.237   0.307  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.177  -0.292  -0.405  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.102   0.555  -0.141  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.376   1.089   1.508  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.374   0.237  -0.900  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.066  -1.659  -0.180  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.116  -2.483  -0.440  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.282   2.024  -0.421  1.00  0.00           C  
HETATM   19  C   UNL     1       1.180  -1.334   0.577  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.733   0.822  -0.774  1.00  0.00           O  
HETATM   21  S   UNL     1      -3.757   0.146   0.006  1.00  0.00           S  
HETATM   22  H   UNL     1       2.331   1.041   1.744  1.00  0.00           H  
HETATM   23  H   UNL     1       5.136  -1.068  -1.983  1.00  0.00           H  
HETATM   24  H   UNL     1       6.136   0.227  -1.254  1.00  0.00           H  
HETATM   25  H   UNL     1       5.266  -2.278  -0.019  1.00  0.00           H  
HETATM   26  H   UNL     1       6.267  -0.982   0.713  1.00  0.00           H  
HETATM   27  H   UNL     1       0.613   2.802   1.378  1.00  0.00           H  
HETATM   28  H   UNL     1       0.743   3.879  -0.036  1.00  0.00           H  
HETATM   29  H   UNL     1       0.215  -3.238   0.494  1.00  0.00           H  
HETATM   30  H   UNL     1       3.915  -1.036   1.829  1.00  0.00           H  
HETATM   31  H   UNL     1       2.943   2.911   0.337  1.00  0.00           H  
HETATM   32  H   UNL     1       2.254   2.118  -1.104  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.219   2.136   1.249  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.208   1.010   2.208  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.474   0.689   1.969  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.395   0.656  -1.775  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.653  -2.693   0.336  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.269   2.337  -0.079  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.203   2.198  -1.494  1.00  0.00           H  
HETATM   40  H   UNL     1       2.103  -1.740   0.964  1.00  0.00           H  
CONECT    1    5    4    4                                            
CONECT    2   19    3   13   13                                       
CONECT    3    4    2   10   22                                       
CONECT    4    9    1    1    3                                       
CONECT    5    6    1   23   24                                       
CONECT    6    9    5   25   26                                       
CONECT    7   10   18   27   28                                       
CONECT    8   19   19   16   29                                       
CONECT    9    6    4   30                                            
CONECT   10    3    7   31   32                                       
CONECT   11   21   21                                                 
CONECT   12   16   16   13   15                                       
CONECT   13    2    2   12   18                                       
CONECT   14   21   33   34   35                                       
CONECT   15   12   21   36                                            
CONECT   16    8   17   12   12                                       
CONECT   17   16   37                                                 
CONECT   18   13    7   38   39                                       
CONECT   19    8    8    2   40                                       
CONECT   20   21   21                                                 
CONECT   21   15   14   20   20                                       
CONECT   21   11   11                                                 
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
