COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       4.000   1.729  -0.227  1.00  0.00           N  
HETATM    2  C   UNK     1       4.036   0.403   0.404  1.00  0.00           C  
HETATM    3  C   UNK     1       5.342  -0.274   0.077  1.00  0.00           C  
HETATM    4  O   UNK     1       5.994   0.097  -0.870  1.00  0.00           O  
HETATM    5  C   UNK     1       2.876  -0.444  -0.124  1.00  0.00           C  
HETATM    6  S   UNK     1       1.304   0.371   0.270  1.00  0.00           S  
HETATM    7  C   UNK     1      -6.217   0.458   0.335  1.00  0.00           C  
HETATM    8  C   UNK     1      -5.203   1.366   0.092  1.00  0.00           C  
HETATM    9  C   UNK     1      -3.934   0.920  -0.220  1.00  0.00           C  
HETATM   10  C   UNK     1      -1.311  -0.219  -0.175  1.00  0.00           C  
HETATM   11  C   UNK     1       0.071  -0.765  -0.424  1.00  0.00           C  
HETATM   12  C   UNK     1      -3.677  -0.443  -0.289  1.00  0.00           C  
HETATM   13  C   UNK     1      -5.964  -0.900   0.267  1.00  0.00           C  
HETATM   14  O   UNK     1      -1.451   0.832   0.414  1.00  0.00           O  
HETATM   15  N   UNK     1      -2.392  -0.899  -0.605  1.00  0.00           N  
HETATM   16  C   UNK     1      -4.697  -1.353  -0.045  1.00  0.00           C  
HETATM   17  O   UNK     1       5.781  -1.288   0.838  1.00  0.00           O  
HETATM   18  H   UNK     1       4.084   1.655  -1.229  1.00  0.00           H  
HETATM   19  H   UNK     1       3.162   2.230   0.030  1.00  0.00           H  
HETATM   20  H   UNK     1       3.944   0.512   1.485  1.00  0.00           H  
HETATM   21  H   UNK     1       2.969  -0.553  -1.204  1.00  0.00           H  
HETATM   22  H   UNK     1       2.903  -1.428   0.344  1.00  0.00           H  
HETATM   23  H   UNK     1      -7.207   0.810   0.583  1.00  0.00           H  
HETATM   24  H   UNK     1      -5.404   2.426   0.146  1.00  0.00           H  
HETATM   25  H   UNK     1      -3.142   1.629  -0.410  1.00  0.00           H  
HETATM   26  H   UNK     1       0.234  -0.866  -1.497  1.00  0.00           H  
HETATM   27  H   UNK     1       0.168  -1.741   0.052  1.00  0.00           H  
HETATM   28  H   UNK     1      -6.758  -1.606   0.458  1.00  0.00           H  
HETATM   29  H   UNK     1      -2.279  -1.705  -1.133  1.00  0.00           H  
HETATM   30  H   UNK     1      -4.500  -2.413  -0.098  1.00  0.00           H  
HETATM   31  H   UNK     1       6.624  -1.691   0.589  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    1    3    5   20                                       
CONECT    3    2    4    4   17                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   21   22                                       
CONECT    6    5   11                                                 
CONECT    7   13   13    8   23                                       
CONECT    8    7    9    9   24                                       
CONECT    9    8    8   12   25                                       
CONECT   10   11   15   14   14                                       
CONECT   11    6   10   26   27                                       
CONECT   12    9   15   16   16                                       
CONECT   13    7    7   16   28                                       
CONECT   14   10   10                                                 
CONECT   15   10   12   29                                            
CONECT   16   12   12   13   30                                       
CONECT   17    3   31                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
