COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.373   0.067   0.437  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.648   0.204   0.117  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.070   1.240  -0.599  1.00  0.00           C  
HETATM    4  C   UNL     1       0.531   1.039   0.007  1.00  0.00           C  
HETATM    5  C   UNL     1       0.047   2.127  -0.752  1.00  0.00           C  
HETATM    6  C   UNL     1       1.972   1.244   0.147  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.197   0.299  -0.540  1.00  0.00           C  
HETATM    8  C   UNL     1       4.287   0.750   0.879  1.00  0.00           C  
HETATM    9  C   UNL     1       5.108  -0.524   1.091  1.00  0.00           C  
HETATM   10  C   UNL     1       4.537   1.717   2.039  1.00  0.00           C  
HETATM   11  F   UNL     1      -6.637  -2.836   0.552  1.00  0.00           F  
HETATM   12  C   UNL     1      -5.837  -1.808   0.194  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.296  -1.762  -1.079  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.477  -0.711  -1.447  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.558  -0.800   1.103  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.740   0.253   0.738  1.00  0.00           C  
HETATM   17  F   UNL     1      -4.468   1.236   1.624  1.00  0.00           F  
HETATM   18  O   UNL     1      -3.387   1.331  -0.899  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.253   2.184  -1.028  1.00  0.00           N  
HETATM   20  N   UNL     1       1.121   2.915  -1.039  1.00  0.00           N  
HETATM   21  N   UNL     1       2.273   2.352  -0.479  1.00  0.00           N  
HETATM   22  N   UNL     1       2.863   0.411   0.825  1.00  0.00           N  
HETATM   23  S   UNL     1       4.927  -1.606  -0.353  1.00  0.00           S  
HETATM   24  O   UNL     1       3.576  -2.038  -0.429  1.00  0.00           O  
HETATM   25  O   UNL     1       5.514  -0.964  -1.477  1.00  0.00           O  
HETATM   26  C   UNL     1       5.962  -3.023   0.109  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.040  -0.776   1.023  1.00  0.00           H  
HETATM   28  H   UNL     1       4.584   1.222  -0.058  1.00  0.00           H  
HETATM   29  H   UNL     1       6.158  -0.262   1.220  1.00  0.00           H  
HETATM   30  H   UNL     1       4.751  -1.042   1.981  1.00  0.00           H  
HETATM   31  H   UNL     1       5.597   1.969   2.079  1.00  0.00           H  
HETATM   32  H   UNL     1       3.953   2.624   1.888  1.00  0.00           H  
HETATM   33  H   UNL     1       4.241   1.245   2.975  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.514  -2.549  -1.786  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.056  -0.676  -2.441  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.981  -0.837   2.096  1.00  0.00           H  
HETATM   37  H   UNL     1       1.091   3.738  -1.551  1.00  0.00           H  
HETATM   38  H   UNL     1       2.539  -0.393   1.261  1.00  0.00           H  
HETATM   39  H   UNL     1       5.579  -3.468   1.027  1.00  0.00           H  
HETATM   40  H   UNL     1       5.941  -3.764  -0.690  1.00  0.00           H  
HETATM   41  H   UNL     1       6.987  -2.688   0.267  1.00  0.00           H  
CONECT    1    2    2    4   27                                       
CONECT    2    1    1    3                                            
CONECT    3    2   18   19   19                                       
CONECT    4    1    5    5    6                                       
CONECT    5    4    4   19   20                                       
CONECT    6    4   21   21   22                                       
CONECT    7   14   14   16   18                                       
CONECT    8    9   10   22   28                                       
CONECT    9    8   23   29   30                                       
CONECT   10    8   31   32   33                                       
CONECT   11   12                                                      
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   34                                       
CONECT   14    7    7   13   35                                       
CONECT   15   12   16   16   36                                       
CONECT   16    7   15   15   17                                       
CONECT   17   16                                                      
CONECT   18    3    7                                                 
CONECT   19    3    3    5                                            
CONECT   20    5   21   37                                            
CONECT   21    6    6   20                                            
CONECT   22    6    8   38                                            
CONECT   23    9   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   39   40   41                                       
CONECT   27    1                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
