COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.216  -0.580   0.529  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.079  -0.182   0.337  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.022  -1.105   0.363  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.724  -0.679   0.149  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.597  -1.638   0.172  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.643  -1.572   1.188  1.00  0.00           C  
HETATM    7  C   UNL     1       0.405  -2.469   1.205  1.00  0.00           C  
HETATM    8  C   UNL     1       0.512  -3.432   0.217  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.431  -3.501  -0.794  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.487  -2.614  -0.818  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.494   0.747  -0.104  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.352   1.510  -0.354  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.764   2.796  -0.511  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.155   2.838  -0.360  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.603   1.630  -0.118  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.877   1.124   0.101  1.00  0.00           N  
HETATM   17  C   UNL     1       0.029   1.018  -0.432  1.00  0.00           C  
HETATM   18  S   UNL     1       1.420   1.696   0.413  1.00  0.00           S  
HETATM   19  C   UNL     1       2.457   0.473  -0.317  1.00  0.00           C  
HETATM   20  N   UNL     1       1.742  -0.300  -1.086  1.00  0.00           N  
HETATM   21  C   UNL     1       0.462  -0.050  -1.168  1.00  0.00           C  
HETATM   22  C   UNL     1       3.911   0.345  -0.093  1.00  0.00           C  
HETATM   23  C   UNL     1       4.662  -0.595  -0.810  1.00  0.00           C  
HETATM   24  C   UNL     1       6.021  -0.675  -0.563  1.00  0.00           C  
HETATM   25  C   UNL     1       6.589   0.167   0.376  1.00  0.00           C  
HETATM   26  N   UNL     1       5.857   1.042   1.038  1.00  0.00           N  
HETATM   27  C   UNL     1       4.562   1.161   0.834  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.223  -2.150   0.552  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.725  -0.821   1.960  1.00  0.00           H  
HETATM   30  H   UNL     1       1.145  -2.419   1.991  1.00  0.00           H  
HETATM   31  H   UNL     1       1.334  -4.131   0.234  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.342  -4.255  -1.562  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.222  -2.670  -1.607  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.191   3.557  -0.696  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.636   1.727   0.088  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.206  -0.642  -1.776  1.00  0.00           H  
HETATM   37  H   UNL     1       4.192  -1.240  -1.538  1.00  0.00           H  
HETATM   38  H   UNL     1       6.632  -1.388  -1.097  1.00  0.00           H  
HETATM   39  H   UNL     1       7.650   0.106   0.571  1.00  0.00           H  
HETATM   40  H   UNL     1       3.997   1.894   1.392  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5   11                                       
CONECT    5    6    6   10    4                                       
CONECT    6    7    5    5   29                                       
CONECT    7    8    8    6   30                                       
CONECT    8    7    7    9   31                                       
CONECT    9    8   10   10   32                                       
CONECT   10    9    9    5   33                                       
CONECT   11    4   15   12   12                                       
CONECT   12   11   11   17   13                                       
CONECT   13   12   14   34                                            
CONECT   14   15   15   13                                            
CONECT   15   16   11   14   14                                       
CONECT   16    2   15   35                                            
CONECT   17   12   21   21   18                                       
CONECT   18   17   19                                                 
CONECT   19   20   20   18   22                                       
CONECT   20   21   19   19                                            
CONECT   21   17   17   20   36                                       
CONECT   22   19   23   23   27                                       
CONECT   23   22   22   24   37                                       
CONECT   24   23   25   25   38                                       
CONECT   25   24   24   26   39                                       
CONECT   26   27   27   25                                            
CONECT   27   22   26   26   40                                       
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   21                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
