COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.061   1.670  -0.998  1.00  0.00           C  
HETATM    2  C   UNL     1       2.788   0.330  -0.366  1.00  0.00           C  
HETATM    3  C   UNL     1       3.494  -0.784  -0.776  1.00  0.00           C  
HETATM    4  C   UNL     1       3.243  -2.018  -0.195  1.00  0.00           C  
HETATM    5  O   UNL     1       3.939  -3.114  -0.599  1.00  0.00           O  
HETATM    6  C   UNL     1       2.281  -2.135   0.798  1.00  0.00           C  
HETATM    7  C   UNL     1       1.573  -1.022   1.209  1.00  0.00           C  
HETATM    8  C   UNL     1       0.533  -1.148   2.291  1.00  0.00           C  
HETATM    9  C   UNL     1       1.829   0.215   0.631  1.00  0.00           C  
HETATM   10  N   UNL     1       1.112   1.342   1.047  1.00  0.00           N  
HETATM   11  S   UNL     1       0.009   2.044   0.031  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.544   3.146   0.737  1.00  0.00           O  
HETATM   13  O   UNL     1       0.651   2.173  -1.230  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.301   0.888  -0.195  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.337   0.832   0.720  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.365  -0.074   0.545  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.359  -0.927  -0.549  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.367  -1.822  -0.720  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.405  -1.826   0.263  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.319  -0.868  -1.465  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.296   0.043  -1.289  1.00  0.00           C  
HETATM   22  H   UNL     1       2.494   1.758  -1.924  1.00  0.00           H  
HETATM   23  H   UNL     1       2.761   2.463  -0.312  1.00  0.00           H  
HETATM   24  H   UNL     1       4.126   1.760  -1.214  1.00  0.00           H  
HETATM   25  H   UNL     1       4.244  -0.694  -1.549  1.00  0.00           H  
HETATM   26  H   UNL     1       4.754  -3.267  -0.102  1.00  0.00           H  
HETATM   27  H   UNL     1       2.086  -3.096   1.250  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.436  -1.363   1.841  1.00  0.00           H  
HETATM   29  H   UNL     1       0.807  -1.959   2.966  1.00  0.00           H  
HETATM   30  H   UNL     1       0.475  -0.214   2.850  1.00  0.00           H  
HETATM   31  H   UNL     1       1.262   1.713   1.931  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.341   1.496   1.571  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.173  -0.118   1.261  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.883  -0.847   0.291  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.144  -2.585   0.008  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.977  -2.049   1.241  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.312  -1.531  -2.318  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.486   0.090  -2.003  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    9    1    3    3                                       
CONECT    3    2    2    4   25                                       
CONECT    4    6    6    3    5                                       
CONECT    5    4   26                                                 
CONECT    6    7    4    4   27                                       
CONECT    7    8    9    9    6                                       
CONECT    8    7   28   29   30                                       
CONECT    9   10    7    7    2                                       
CONECT   10   11    9   31                                            
CONECT   11   14   12   12   13                                       
CONECT   11   13   10                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   21   21   15   11                                       
CONECT   15   16   16   14   32                                       
CONECT   16   17   15   15   33                                       
CONECT   17   18   20   20   16                                       
CONECT   18   19   17                                                 
CONECT   19   18   34   35   36                                       
CONECT   20   17   17   21   37                                       
CONECT   21   20   14   14   38                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
