COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.221   1.854   0.148  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.599   1.918   0.104  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.016   0.851   0.159  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.348   0.756  -0.027  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.727  -0.471  -0.116  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.339  -0.555  -0.075  1.00  0.00           C  
HETATM    7  N   UNL     1       5.149   0.109   0.283  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.877  -3.031  -0.281  1.00  0.00           C  
HETATM    9  N   UNL     1       0.095   0.198   0.136  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.997  -1.831  -0.078  1.00  0.00           N  
HETATM   11  F   UNL     1      -6.221   3.114   0.190  1.00  0.00           F  
HETATM   12  C   UNL     1      -3.582   0.619   0.058  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.169   0.204   0.066  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.167  -1.200  -0.058  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.468  -1.632  -0.140  1.00  0.00           N  
HETATM   16  C   UNL     1       0.122  -1.126   0.020  1.00  0.00           C  
HETATM   17  S   UNL     1       1.674  -1.959  -0.007  1.00  0.00           S  
HETATM   18  C   UNL     1       2.793  -0.545   0.153  1.00  0.00           C  
HETATM   19  C   UNL     1       4.241  -1.039   0.154  1.00  0.00           C  
HETATM   20  C   UNL     1       6.528  -0.336   0.525  1.00  0.00           C  
HETATM   21  C   UNL     1       7.417   0.880   0.799  1.00  0.00           C  
HETATM   22  C   UNL     1       7.369   1.823  -0.407  1.00  0.00           C  
HETATM   23  C   UNL     1       5.916   2.232  -0.668  1.00  0.00           C  
HETATM   24  C   UNL     1       5.071   0.978  -0.899  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.640   2.759   0.246  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.426   0.815  -0.060  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.318  -1.369  -0.218  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.942  -3.286  -1.339  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.143  -3.675   0.203  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.851  -3.174   0.188  1.00  0.00           H  
HETATM   31  H   UNL     1       2.641   0.134  -0.686  1.00  0.00           H  
HETATM   32  H   UNL     1       2.587  -0.022   1.087  1.00  0.00           H  
HETATM   33  H   UNL     1       4.448  -1.562  -0.780  1.00  0.00           H  
HETATM   34  H   UNL     1       4.393  -1.718   0.992  1.00  0.00           H  
HETATM   35  H   UNL     1       6.549  -1.002   1.387  1.00  0.00           H  
HETATM   36  H   UNL     1       6.898  -0.866  -0.352  1.00  0.00           H  
HETATM   37  H   UNL     1       7.055   1.403   1.684  1.00  0.00           H  
HETATM   38  H   UNL     1       8.443   0.551   0.963  1.00  0.00           H  
HETATM   39  H   UNL     1       7.966   2.711  -0.199  1.00  0.00           H  
HETATM   40  H   UNL     1       7.767   1.313  -1.284  1.00  0.00           H  
HETATM   41  H   UNL     1       5.531   2.777   0.195  1.00  0.00           H  
HETATM   42  H   UNL     1       5.871   2.870  -1.550  1.00  0.00           H  
HETATM   43  H   UNL     1       5.448   0.441  -1.769  1.00  0.00           H  
HETATM   44  H   UNL     1       4.034   1.265  -1.070  1.00  0.00           H  
CONECT    1    2    2   12   25                                       
CONECT    2   11    1    1    4                                       
CONECT    3    9    9   13                                            
CONECT    4    2    5    5   26                                       
CONECT    5    4    4    6   27                                       
CONECT    6   12   12    5   15                                       
CONECT    7   19   20   24                                            
CONECT    8   15   28   29   30                                       
CONECT    9    3    3   16                                            
CONECT   10   16   16   14                                            
CONECT   11    2                                                      
CONECT   12    1   13    6    6                                       
CONECT   13    3   12   14   14                                       
CONECT   14   13   13   15   10                                       
CONECT   15    6   14    8                                            
CONECT   16    9   10   10   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   31   32                                       
CONECT   19   18    7   33   34                                       
CONECT   20    7   21   35   36                                       
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   24   22   41   42                                       
CONECT   24    7   23   43   44                                       
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
