COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.870  -1.872   1.318  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.874  -0.618  -0.242  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.499   0.611   0.255  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.154   0.971   0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.174   0.091  -0.181  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.582  -1.161  -0.685  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.911  -1.502  -0.706  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.792   1.773   0.421  1.00  0.00           C  
HETATM    9  C   UNL     1       1.567   1.820   0.230  1.00  0.00           C  
HETATM   10  C   UNL     1       2.884   2.528   0.417  1.00  0.00           C  
HETATM   11  C   UNL     1       4.004   1.643  -0.065  1.00  0.00           C  
HETATM   12  C   UNL     1       4.892   2.037  -0.980  1.00  0.00           C  
HETATM   13  C   UNL     1       5.191  -0.244  -0.103  1.00  0.00           C  
HETATM   14  C   UNL     1       6.591  -2.256  -0.252  1.00  0.00           C  
HETATM   15  C   UNL     1       6.604  -3.467   0.340  1.00  0.00           C  
HETATM   16  C   UNL     1       5.523  -3.509   1.243  1.00  0.00           C  
HETATM   17  C   UNL     1       4.888  -2.322   1.171  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.927   0.593  -0.076  1.00  0.00           N  
HETATM   19  N   UNL     1       0.419   2.424   0.594  1.00  0.00           N  
HETATM   20  N   UNL     1       5.539  -1.545   0.253  1.00  0.00           N  
HETATM   21  N   UNL     1       4.189   0.417   0.386  1.00  0.00           N  
HETATM   22  O   UNL     1       1.541   0.706  -0.249  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.664  -2.016  -1.338  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.267   0.171  -0.351  1.00  0.00           O  
HETATM   25  S   UNL     1      -6.577  -1.069  -0.282  1.00  0.00           S  
HETATM   26  S   UNL     1      -2.360   2.440   0.852  1.00  0.00           S  
HETATM   27  S   UNL     1       6.019   0.711  -1.254  1.00  0.00           S  
HETATM   28  H   UNL     1      -6.654  -1.169   2.122  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.912  -2.188   1.381  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.221  -2.742   1.412  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.250   1.296   0.619  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.844  -1.858  -1.053  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.211  -2.466  -1.090  1.00  0.00           H  
HETATM   34  H   UNL     1       2.882   3.456  -0.154  1.00  0.00           H  
HETATM   35  H   UNL     1       3.028   2.753   1.474  1.00  0.00           H  
HETATM   36  H   UNL     1       4.916   3.001  -1.468  1.00  0.00           H  
HETATM   37  H   UNL     1       7.293  -1.906  -0.994  1.00  0.00           H  
HETATM   38  H   UNL     1       7.313  -4.260   0.156  1.00  0.00           H  
HETATM   39  H   UNL     1       5.252  -4.340   1.878  1.00  0.00           H  
HETATM   40  H   UNL     1       4.016  -2.034   1.739  1.00  0.00           H  
HETATM   41  H   UNL     1       0.440   3.315   0.977  1.00  0.00           H  
CONECT    1   25   28   29   30                                       
CONECT    2    3   25    7    7                                       
CONECT    3    4    4    2   31                                       
CONECT    4   26    3    3    5                                       
CONECT    5    4   18    6    6                                       
CONECT    6    5    5    7   32                                       
CONECT    7    2    2    6   33                                       
CONECT    8   26   19   18   18                                       
CONECT    9   22   22   10   19                                       
CONECT   10   11    9   34   35                                       
CONECT   11   21   12   12   10                                       
CONECT   12   27   11   11   36                                       
CONECT   13   20   21   21   27                                       
CONECT   14   15   15   20   37                                       
CONECT   15   16   14   14   38                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   20   40                                       
CONECT   18    8    8    5                                            
CONECT   19    9    8   41                                            
CONECT   20   14   17   13                                            
CONECT   21   13   13   11                                            
CONECT   22    9    9                                                 
CONECT   23   25   25                                                 
CONECT   24   25   25                                                 
CONECT   25    1    2   23   23                                       
CONECT   25   24   24                                                 
CONECT   26    8    4                                                 
CONECT   27   13   12                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
