COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.117  -4.340  -1.325  1.00  0.00           C  
HETATM    2  C   UNL     1       5.410  -5.317  -1.754  1.00  0.00           C  
HETATM    3  C   UNL     1       4.588  -4.282  -1.519  1.00  0.00           C  
HETATM    4  C   UNL     1       1.666  -6.228   2.417  1.00  0.00           C  
HETATM    5  C   UNL     1       0.531  -1.659  -1.307  1.00  0.00           C  
HETATM    6  C   UNL     1       0.812  -0.722  -0.130  1.00  0.00           C  
HETATM    7  C   UNL     1       0.978  -1.615   1.102  1.00  0.00           C  
HETATM    8  C   UNL     1       0.687  -3.037   0.623  1.00  0.00           C  
HETATM    9  C   UNL     1       3.796  -6.895   3.269  1.00  0.00           C  
HETATM   10  C   UNL     1       3.574 -10.138   5.006  1.00  0.00           C  
HETATM   11  C   UNL     1       3.179  -7.924   3.980  1.00  0.00           C  
HETATM   12  C   UNL     1       1.059  -3.019  -0.862  1.00  0.00           C  
HETATM   13  C   UNL     1       5.157  -8.338   5.423  1.00  0.00           C  
HETATM   14  C   UNL     1       1.032  -7.239   3.109  1.00  0.00           C  
HETATM   15  C   UNL     1       5.942  -9.334   6.216  1.00  0.00           C  
HETATM   16  C   UNL     1       0.851  -5.313   1.577  1.00  0.00           C  
HETATM   17  C   UNL     1       3.031  -6.037   2.479  1.00  0.00           C  
HETATM   18  N   UNL     1       3.975  -8.816   4.802  1.00  0.00           N  
HETATM   19  C   UNL     1       1.797  -8.096   3.900  1.00  0.00           C  
HETATM   20  C   UNL     1       4.277 -11.001   5.746  1.00  0.00           C  
HETATM   21  C   UNL     1       5.500 -10.585   6.363  1.00  0.00           C  
HETATM   22  O   UNL     1       5.579  -7.181   5.413  1.00  0.00           O  
HETATM   23  N   UNL     1       1.370  -4.041   1.389  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.219  -5.710   1.122  1.00  0.00           O  
HETATM   25  N   UNL     1       2.480  -3.125  -1.094  1.00  0.00           N  
HETATM   26  O   UNL     1       2.549  -5.429  -1.355  1.00  0.00           O  
HETATM   27  C   UNL     1       6.752  -4.856  -1.885  1.00  0.00           C  
HETATM   28  S   UNL     1       5.323  -2.768  -1.443  1.00  0.00           S  
HETATM   29  C   UNL     1       6.847  -3.490  -1.738  1.00  0.00           C  
HETATM   30 CL   UNL     1       8.258  -2.520  -1.819  1.00  0.00          Cl  
HETATM   31  H   UNL     1       5.110  -6.354  -1.836  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.553  -1.718  -1.466  1.00  0.00           H  
HETATM   33  H   UNL     1       0.987  -1.297  -2.234  1.00  0.00           H  
HETATM   34  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1       1.732  -0.152  -0.304  1.00  0.00           H  
HETATM   36  H   UNL     1       2.001  -1.524   1.490  1.00  0.00           H  
HETATM   37  H   UNL     1       0.301  -1.319   1.911  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.386  -3.237   0.727  1.00  0.00           H  
HETATM   39  H   UNL     1       4.872  -6.751   3.323  1.00  0.00           H  
HETATM   40  H   UNL     1       2.650 -10.437   4.521  1.00  0.00           H  
HETATM   41  H   UNL     1       0.590  -3.840  -1.412  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.044  -7.382   3.056  1.00  0.00           H  
HETATM   43  H   UNL     1       6.865  -9.002   6.678  1.00  0.00           H  
HETATM   44  H   UNL     1       3.522  -5.237   1.930  1.00  0.00           H  
HETATM   45  H   UNL     1       1.306  -8.895   4.449  1.00  0.00           H  
HETATM   46  H   UNL     1       3.943 -12.022   5.886  1.00  0.00           H  
HETATM   47  H   UNL     1       6.058 -11.311   6.944  1.00  0.00           H  
HETATM   48  H   UNL     1       2.231  -3.766   1.849  1.00  0.00           H  
HETATM   49  H   UNL     1       3.034  -2.272  -1.022  1.00  0.00           H  
HETATM   50  H   UNL     1       7.601  -5.500  -2.078  1.00  0.00           H  
CONECT    1   26   26   25    3                                       
CONECT    2    3    3   27   31                                       
CONECT    3    1    2    2   28                                       
CONECT    4   17   17   14   16                                       
CONECT    5   12    6   32   33                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8   36   37                                       
CONECT    8    7   23   12   38                                       
CONECT    9   11   11   17   39                                       
CONECT   10   20   20   18   40                                       
CONECT   11    9    9   18   19                                       
CONECT   12    5    8   25   41                                       
CONECT   13   15   22   22   18                                       
CONECT   14    4   19   19   42                                       
CONECT   15   13   21   21   43                                       
CONECT   16    4   24   24   23                                       
CONECT   17    4    4    9   44                                       
CONECT   18   10   11   13                                            
CONECT   19   11   14   14   45                                       
CONECT   20   10   10   21   46                                       
CONECT   21   15   15   20   47                                       
CONECT   22   13   13                                                 
CONECT   23    8   16   48                                            
CONECT   24   16   16                                                 
CONECT   25    1   12   49                                            
CONECT   26    1    1                                                 
CONECT   27    2   29   29   50                                       
CONECT   28    3   29                                                 
CONECT   29   27   27   28   30                                       
CONECT   30   29                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
