COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.120   1.535   0.103  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.312   0.899   0.052  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.365  -0.523   0.020  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.501   1.631   0.035  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.471   3.062   0.071  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.448   4.197   0.100  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.736   0.941  -0.019  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.781   1.568  -0.035  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.759  -0.400  -0.053  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.599  -1.146  -0.032  1.00  0.00           C  
HETATM   11  S   UNL     1      -3.388  -2.894  -0.062  1.00  0.00           S  
HETATM   12  C   UNL     1      -1.642  -2.757  -0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.262  -1.482   0.035  1.00  0.00           C  
HETATM   14  C   UNL     1       0.159  -1.069   0.088  1.00  0.00           C  
HETATM   15  C   UNL     1       1.017  -1.639   1.030  1.00  0.00           C  
HETATM   16  C   UNL     1       2.339  -1.255   1.079  1.00  0.00           C  
HETATM   17  C   UNL     1       0.643  -0.114  -0.808  1.00  0.00           C  
HETATM   18  C   UNL     1       1.964   0.269  -0.758  1.00  0.00           C  
HETATM   19  C   UNL     1       2.820  -0.296   0.187  1.00  0.00           C  
HETATM   20  C   UNL     1       4.243   0.118   0.241  1.00  0.00           C  
HETATM   21  C   UNL     1       4.819   0.490   1.454  1.00  0.00           C  
HETATM   22  C   UNL     1       6.143   0.873   1.498  1.00  0.00           C  
HETATM   23  C   UNL     1       6.903   0.891   0.341  1.00  0.00           C  
HETATM   24  C   UNL     1       6.342   0.524  -0.867  1.00  0.00           C  
HETATM   25  C   UNL     1       5.014   0.131  -0.926  1.00  0.00           C  
HETATM   26  O   UNL     1       4.463  -0.236  -2.112  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.190   2.499   0.121  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.614  -0.856  -0.090  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.962  -3.596   0.001  1.00  0.00           H  
HETATM   30  H   UNL     1       0.645  -2.381   1.720  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.020   0.323  -1.540  1.00  0.00           H  
HETATM   32  H   UNL     1       3.003  -1.696   1.808  1.00  0.00           H  
HETATM   33  H   UNL     1       2.338   1.008  -1.452  1.00  0.00           H  
HETATM   34  H   UNL     1       4.229   0.478   2.358  1.00  0.00           H  
HETATM   35  H   UNL     1       6.589   1.161   2.438  1.00  0.00           H  
HETATM   36  H   UNL     1       7.939   1.193   0.383  1.00  0.00           H  
HETATM   37  H   UNL     1       6.940   0.539  -1.767  1.00  0.00           H  
HETATM   38  H   UNL     1       4.066   0.496  -2.604  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3    4    4                                       
CONECT    3    2   10   10   13                                       
CONECT    4    2    2    5    7                                       
CONECT    5    4    6    6    6                                       
CONECT    6    5    5    5                                            
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   28                                            
CONECT   10    3    3    9   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   29                                       
CONECT   13    3   12   12   14                                       
CONECT   14   13   15   17   17                                       
CONECT   15   14   16   16   30                                       
CONECT   16   15   15   19   32                                       
CONECT   17   14   14   18   31                                       
CONECT   18   17   19   19   33                                       
CONECT   19   16   18   18   20                                       
CONECT   20   19   21   25   25                                       
CONECT   21   20   22   22   34                                       
CONECT   22   21   21   23   35                                       
CONECT   23   22   24   24   36                                       
CONECT   24   23   23   25   37                                       
CONECT   25   20   20   24   26                                       
CONECT   26   25   38                                                 
CONECT   27    1                                                      
CONECT   28    9                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
CONECT   31   17                                                      
CONECT   32   16                                                      
CONECT   33   18                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   26                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
