COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.828   2.272  -0.824  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.833   2.208   0.025  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.035   0.936   0.156  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.615   1.227  -0.051  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.687   0.213   0.021  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.005   0.420  -0.200  1.00  0.00           S  
HETATM    7  C   UNL     1      -0.741  -1.301   0.067  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.973  -1.884   0.304  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.971  -1.032   0.273  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.137  -3.237   0.555  1.00  0.00           N  
HETATM   11  C   UNL     1       0.500  -1.964   0.044  1.00  0.00           C  
HETATM   12  C   UNL     1       1.752  -1.186  -0.081  1.00  0.00           C  
HETATM   13  C   UNL     1       1.805   0.112   0.398  1.00  0.00           C  
HETATM   14  C   UNL     1       2.995   0.844   0.276  1.00  0.00           C  
HETATM   15  C   UNL     1       4.126   0.243  -0.335  1.00  0.00           C  
HETATM   16  C   UNL     1       4.040  -1.077  -0.811  1.00  0.00           C  
HETATM   17  C   UNL     1       2.881  -1.772  -0.680  1.00  0.00           C  
HETATM   18  C   UNL     1       3.088   2.165   0.750  1.00  0.00           C  
HETATM   19  C   UNL     1       4.257   2.848   0.617  1.00  0.00           C  
HETATM   20  C   UNL     1       5.368   2.258   0.016  1.00  0.00           C  
HETATM   21  C   UNL     1       5.315   0.981  -0.454  1.00  0.00           C  
HETATM   22  O   UNL     1       0.544  -3.180   0.126  1.00  0.00           O  
HETATM   23  H   UNL     1      -7.076   1.414  -1.431  1.00  0.00           H  
HETATM   24  H   UNL     1      -7.402   3.182  -0.915  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.584   3.066   0.632  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.179   0.518   1.153  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.372   0.217  -0.591  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.328   2.134  -0.239  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.365  -3.824   0.571  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.023  -3.596   0.715  1.00  0.00           H  
HETATM   31  H   UNL     1       0.937   0.557   0.861  1.00  0.00           H  
HETATM   32  H   UNL     1       4.897  -1.540  -1.277  1.00  0.00           H  
HETATM   33  H   UNL     1       2.824  -2.787  -1.045  1.00  0.00           H  
HETATM   34  H   UNL     1       2.235   2.635   1.217  1.00  0.00           H  
HETATM   35  H   UNL     1       4.326   3.862   0.982  1.00  0.00           H  
HETATM   36  H   UNL     1       6.284   2.822  -0.078  1.00  0.00           H  
HETATM   37  H   UNL     1       6.184   0.537  -0.916  1.00  0.00           H  
CONECT    1    2    2   23   24                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28                                            
CONECT    5    4    9    9    6                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8   11                                       
CONECT    8    7    7   10    9                                       
CONECT    9    5    5    8                                            
CONECT   10    8   29   30                                            
CONECT   11    7   22   22   12                                       
CONECT   12   11   17   17   13                                       
CONECT   13   12   14   14   31                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   32                                       
CONECT   17   12   12   16   33                                       
CONECT   18   14   19   19   34                                       
CONECT   19   18   18   20   35                                       
CONECT   20   19   21   21   36                                       
CONECT   21   15   20   20   37                                       
CONECT   22   11   11                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
