COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.811   0.776   0.463  1.00  0.00           C  
HETATM    2  C   UNL     1       2.873   2.031  -0.435  1.00  0.00           C  
HETATM    3  C   UNL     1       1.429   2.580  -0.413  1.00  0.00           C  
HETATM    4  C   UNL     1       0.665   1.591   0.495  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.754   1.369  -0.034  1.00  0.00           C  
HETATM    6  C   UNL     1       7.140  -0.272   1.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.256   0.180   0.363  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.501   0.814  -0.851  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.739   0.705  -1.454  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.743  -0.033  -0.857  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.506  -0.674   0.363  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.253  -0.568   0.969  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.576  -1.464   1.005  1.00  0.00           C  
HETATM   14  C   UNL     1       6.733  -2.017  -0.438  1.00  0.00           C  
HETATM   15  C   UNL     1       5.396  -1.597  -0.534  1.00  0.00           C  
HETATM   16  C   UNL     1       5.001  -0.465   0.199  1.00  0.00           C  
HETATM   17  C   UNL     1       3.290  -1.268  -0.936  1.00  0.00           C  
HETATM   18  N   UNL     1       5.898   0.161   0.953  1.00  0.00           N  
HETATM   19  N   UNL     1       3.669  -0.282  -0.075  1.00  0.00           N  
HETATM   20  N   UNL     1       7.558  -1.327   0.343  1.00  0.00           N  
HETATM   21  N   UNL     1       7.180  -3.122  -1.140  1.00  0.00           N  
HETATM   22  N   UNL     1       4.305  -2.036  -1.207  1.00  0.00           N  
HETATM   23  O   UNL     1       3.781   2.991   0.109  1.00  0.00           O  
HETATM   24  O   UNL     1       1.401   3.896   0.144  1.00  0.00           O  
HETATM   25  O   UNL     1       1.426   0.366   0.429  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.345  -2.081   2.180  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.664  -1.558   0.473  1.00  0.00           O  
HETATM   28  S   UNL     1      -1.675   0.323   1.128  1.00  0.00           S  
HETATM   29 CL   UNL     1      -7.298  -0.160  -1.617  1.00  0.00          Cl  
HETATM   30  H   UNL     1       3.108   1.023   1.482  1.00  0.00           H  
HETATM   31  H   UNL     1       3.166   1.761  -1.449  1.00  0.00           H  
HETATM   32  H   UNL     1       1.005   2.581  -1.418  1.00  0.00           H  
HETATM   33  H   UNL     1       0.633   1.964   1.519  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.258   2.330  -0.136  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.706   0.878  -1.006  1.00  0.00           H  
HETATM   36  H   UNL     1       7.844   0.260   1.640  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.722   1.393  -1.323  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.924   1.200  -2.397  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.064  -1.061   1.911  1.00  0.00           H  
HETATM   40  H   UNL     1       2.295  -1.392  -1.337  1.00  0.00           H  
HETATM   41  H   UNL     1       8.106  -3.402  -1.065  1.00  0.00           H  
HETATM   42  H   UNL     1       6.568  -3.617  -1.706  1.00  0.00           H  
HETATM   43  H   UNL     1       3.815   3.823  -0.383  1.00  0.00           H  
HETATM   44  H   UNL     1       1.916   4.545  -0.354  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.076  -2.586   2.561  1.00  0.00           H  
CONECT    1    2   19   25   30                                       
CONECT    2   23    3    1   31                                       
CONECT    3    2    4   24   32                                       
CONECT    4    3    5   25   33                                       
CONECT    5   28    4   34   35                                       
CONECT    6   20   20   18   36                                       
CONECT    7   12   12    8   28                                       
CONECT    8    9    9    7   37                                       
CONECT    9   10    8    8   38                                       
CONECT   10   29   11   11    9                                       
CONECT   11   13   10   10   12                                       
CONECT   12   11    7    7   39                                       
CONECT   13   27   27   11   26                                       
CONECT   14   21   15   15   20                                       
CONECT   15   22   14   14   16                                       
CONECT   16   15   19   18   18                                       
CONECT   17   22   22   19   40                                       
CONECT   18   16   16    6                                            
CONECT   19   17   16    1                                            
CONECT   20   14    6    6                                            
CONECT   21   14   41   42                                            
CONECT   22   17   17   15                                            
CONECT   23    2   43                                                 
CONECT   24    3   44                                                 
CONECT   25    1    4                                                 
CONECT   26   13   45                                                 
CONECT   27   13   13                                                 
CONECT   28    7    5                                                 
CONECT   29   10                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
