COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.472   0.265  -1.200  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.336  -0.522  -1.196  1.00  0.00           C  
HETATM    3  C   UNL     1       0.233  -0.908   0.004  1.00  0.00           C  
HETATM    4  C   UNL     1       1.472  -1.766   0.008  1.00  0.00           C  
HETATM    5  C   UNL     1       6.045   1.600   0.013  1.00  0.00           C  
HETATM    6  C   UNL     1       8.543   1.618  -0.003  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.419   0.162   1.196  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.048  -1.135   0.008  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.420   0.147  -1.198  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.335  -0.507   1.198  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.472   0.280   1.194  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.040   0.666  -0.005  1.00  0.00           C  
HETATM   13  N   UNL     1       2.659  -0.908   0.003  1.00  0.00           N  
HETATM   14  C   UNL     1       3.889  -1.459   0.006  1.00  0.00           C  
HETATM   15  O   UNL     1       4.013  -2.669   0.013  1.00  0.00           O  
HETATM   16  C   UNL     1       5.086  -0.595   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.951   0.816   0.011  1.00  0.00           C  
HETATM   18  N   UNL     1       7.299   1.056   0.003  1.00  0.00           N  
HETATM   19  C   UNL     1       9.441   0.604  -0.012  1.00  0.00           C  
HETATM   20  N   UNL     1       8.778  -0.552  -0.012  1.00  0.00           N  
HETATM   21  C   UNL     1       7.475  -0.305  -0.002  1.00  0.00           C  
HETATM   22  C   UNL     1       6.353  -1.153   0.003  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.490   1.668  -0.011  1.00  0.00           S  
HETATM   24  O   UNL     1      -3.509   2.352   1.234  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.510   2.336  -1.265  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.876   0.580  -0.004  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.505  -0.697   1.203  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.503  -0.715  -1.194  1.00  0.00           C  
HETATM   29  F   UNL     1      -7.028  -1.147  -2.361  1.00  0.00           F  
HETATM   30  F   UNL     1      -7.035  -1.106   2.377  1.00  0.00           F  
HETATM   31  H   UNL     1      -1.914   0.570  -2.137  1.00  0.00           H  
HETATM   32  H   UNL     1       0.108  -0.835  -2.129  1.00  0.00           H  
HETATM   33  H   UNL     1       1.479  -2.389   0.902  1.00  0.00           H  
HETATM   34  H   UNL     1       1.478  -2.400  -0.878  1.00  0.00           H  
HETATM   35  H   UNL     1       5.930   2.674   0.017  1.00  0.00           H  
HETATM   36  H   UNL     1       8.769   2.674  -0.001  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.993   0.501   2.129  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.893  -1.808   0.012  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.995   0.475  -2.135  1.00  0.00           H  
HETATM   40  H   UNL     1       0.110  -0.808   2.135  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.915   0.593   2.128  1.00  0.00           H  
HETATM   42  H   UNL     1       2.561   0.057  -0.003  1.00  0.00           H  
HETATM   43  H   UNL     1       3.968   1.263   0.019  1.00  0.00           H  
HETATM   44  H   UNL     1      10.515   0.713  -0.019  1.00  0.00           H  
HETATM   45  H   UNL     1       6.478  -2.226  -0.005  1.00  0.00           H  
CONECT    1   12   12    2   31                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2   10    4                                       
CONECT    4    3   13   33   34                                       
CONECT    5   17   17   18   35                                       
CONECT    6   18   19   19   36                                       
CONECT    7   27   27   26   37                                       
CONECT    8   27   28   28   38                                       
CONECT    9   26   26   28   39                                       
CONECT   10   11   11    3   40                                       
CONECT   11   12   10   10   41                                       
CONECT   12   23    1    1   11                                       
CONECT   13    4   14   42                                            
CONECT   14   15   15   13   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   22   22   17                                       
CONECT   17   16    5    5   43                                       
CONECT   18   21    5    6                                            
CONECT   19   20    6    6   44                                       
CONECT   20   21   21   19                                            
CONECT   21   22   20   20   18                                       
CONECT   22   16   16   21   45                                       
CONECT   23   25   25   26   24                                       
CONECT   23   24   12                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26    7    9    9   23                                       
CONECT   27   30    7    7    8                                       
CONECT   28    8    8    9   29                                       
CONECT   29   28                                                      
CONECT   30   27                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
