COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.826  -2.324  -0.678  1.00  0.00           C  
HETATM    2  C   UNL     1       3.451  -1.025   0.039  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.819   0.493   1.098  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.955  -0.292   1.168  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.339  -1.050   0.078  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.577  -1.906   0.154  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.588  -1.024  -1.082  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.452  -0.239  -1.153  1.00  0.00           C  
HETATM    9  N   UNL     1       3.442  -1.252   1.491  1.00  0.00           N  
HETATM   10  C   UNL     1       2.060  -0.575  -0.414  1.00  0.00           C  
HETATM   11  N   UNL     1       1.651   0.600   0.358  1.00  0.00           N  
HETATM   12  S   UNL     1       0.377   1.525  -0.154  1.00  0.00           S  
HETATM   13  O   UNL     1       0.212   2.553   0.813  1.00  0.00           O  
HETATM   14  O   UNL     1       0.598   1.785  -1.534  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.067   0.519  -0.062  1.00  0.00           C  
HETATM   16  H   UNL     1       3.097  -3.096  -0.435  1.00  0.00           H  
HETATM   17  H   UNL     1       3.832  -2.155  -1.754  1.00  0.00           H  
HETATM   18  H   UNL     1       4.816  -2.644  -0.354  1.00  0.00           H  
HETATM   19  H   UNL     1       4.180  -0.252  -0.203  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.521   1.088   1.948  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.542  -0.313   2.074  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.440  -1.326  -0.175  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.458  -2.777  -0.490  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.731  -2.233   1.182  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.888  -1.616  -1.934  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.865  -0.218  -2.059  1.00  0.00           H  
HETATM   27  H   UNL     1       2.774  -1.965   1.742  1.00  0.00           H  
HETATM   28  H   UNL     1       4.365  -1.487   1.825  1.00  0.00           H  
HETATM   29  H   UNL     1       2.089  -0.322  -1.474  1.00  0.00           H  
HETATM   30  H   UNL     1       1.347  -1.383  -0.253  1.00  0.00           H  
HETATM   31  H   UNL     1       2.127   0.837   1.170  1.00  0.00           H  
CONECT    1    2   16   17   18                                       
CONECT    2   10    1    9   19                                       
CONECT    3    4   15   15   20                                       
CONECT    4    5    5    3   21                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5   22   23   24                                       
CONECT    7    5    8    8   25                                       
CONECT    8    7    7   15   26                                       
CONECT    9    2   27   28                                            
CONECT   10   11    2   29   30                                       
CONECT   11   12   10   31                                            
CONECT   12   15   13   13   14                                       
CONECT   12   14   11                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15    3    3    8   12                                       
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
