COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.491  -1.631  -0.382  1.00  0.00           C  
HETATM    2  C   UNL     1       0.405  -0.629  -0.214  1.00  0.00           C  
HETATM    3  C   UNL     1       1.807  -0.802  -0.166  1.00  0.00           C  
HETATM    4  C   UNL     1       2.630   0.289   0.009  1.00  0.00           C  
HETATM    5  C   UNL     1       2.065   1.598   0.142  1.00  0.00           C  
HETATM    6  C   UNL     1       4.096   0.108   0.059  1.00  0.00           C  
HETATM    7  C   UNL     1       4.675  -0.620   1.102  1.00  0.00           C  
HETATM    8  C   UNL     1       6.030  -0.787   1.150  1.00  0.00           C  
HETATM    9  C   UNL     1       6.838  -0.229   0.153  1.00  0.00           C  
HETATM   10  C   UNL     1       8.258  -0.404   0.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.826   1.906  -0.213  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.840  -0.396  -0.546  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.321  -0.869   0.827  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.385  -0.101  -0.387  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.230  -1.480  -0.549  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.993  -2.039  -0.556  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.836  -1.235  -0.400  1.00  0.00           C  
HETATM   18  C   UNL     1       6.258   0.499  -0.891  1.00  0.00           C  
HETATM   19  C   UNL     1       4.902   0.661  -0.940  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.995   0.149  -0.237  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.275   0.707  -0.233  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.662   0.460  -0.382  1.00  0.00           N  
HETATM   23  N   UNL     1       1.616   2.636   0.248  1.00  0.00           N  
HETATM   24  N   UNL     1       9.385  -0.543   0.241  1.00  0.00           N  
HETATM   25  O   UNL     1      -7.773   0.254   1.587  1.00  0.00           O  
HETATM   26  S   UNL     1      -0.418   0.913  -0.065  1.00  0.00           S  
HETATM   27  H   UNL     1      -0.191  -2.662  -0.498  1.00  0.00           H  
HETATM   28  H   UNL     1       2.233  -1.789  -0.266  1.00  0.00           H  
HETATM   29  H   UNL     1       4.051  -1.050   1.872  1.00  0.00           H  
HETATM   30  H   UNL     1       6.477  -1.349   1.956  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.816   2.390  -1.190  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.775   2.109   0.283  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.009   2.296   0.394  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.578  -1.260  -1.157  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.634   0.168  -1.034  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.141  -1.576   0.701  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.499  -1.356   1.352  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.101  -2.106  -0.669  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.889  -3.106  -0.682  1.00  0.00           H  
HETATM   40  H   UNL     1       6.881   0.930  -1.660  1.00  0.00           H  
HETATM   41  H   UNL     1       4.454   1.219  -1.748  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.397   1.773  -0.108  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.093   0.027   2.471  1.00  0.00           H  
CONECT    1   17    2    2   27                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4   23   23   23                                       
CONECT    6    7    4   19   19                                       
CONECT    7    8    8    6   29                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10   18   18                                       
CONECT   10    9   24   24   24                                       
CONECT   11   22   31   32   33                                       
CONECT   12   22   13   34   35                                       
CONECT   13   12   25   36   37                                       
CONECT   14   15   22   21   21                                       
CONECT   15   16   16   14   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16    1   20   20                                       
CONECT   18    9    9   19   40                                       
CONECT   19    6    6   18   41                                       
CONECT   20   17   17   21   26                                       
CONECT   21   14   14   20   42                                       
CONECT   22   14   11   12                                            
CONECT   23    5    5    5                                            
CONECT   24   10   10   10                                            
CONECT   25   13   43                                                 
CONECT   26    2   20                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
