COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.261   2.150  -0.010  1.00  0.00           S  
HETATM    2  C   UNL     1       0.439   2.021   0.062  1.00  0.00           C  
HETATM    3  C   UNL     1       0.818   0.702   0.115  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.256  -0.192   0.098  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.454   0.404   0.033  1.00  0.00           C  
HETATM    6  N   UNL     1       1.313   3.096   0.066  1.00  0.00           N  
HETATM    7  C   UNL     1       0.834   4.354   0.011  1.00  0.00           C  
HETATM    8  N   UNL     1       1.685   5.400   0.014  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.365   4.547  -0.043  1.00  0.00           O  
HETATM   10  C   UNL     1       2.219   0.273   0.184  1.00  0.00           C  
HETATM   11  O   UNL     1       3.110   1.102   0.195  1.00  0.00           O  
HETATM   12  N   UNL     1       2.519  -1.040   0.234  1.00  0.00           N  
HETATM   13  C   UNL     1       3.918  -1.470   0.302  1.00  0.00           C  
HETATM   14  C   UNL     1       4.499  -1.545  -1.112  1.00  0.00           C  
HETATM   15  N   UNL     1       5.895  -1.996  -1.046  1.00  0.00           N  
HETATM   16  C   UNL     1       5.992  -3.341  -0.465  1.00  0.00           C  
HETATM   17  C   UNL     1       5.456  -3.319   0.968  1.00  0.00           C  
HETATM   18  C   UNL     1       3.997  -2.852   0.955  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.751  -0.304   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.790  -1.698   0.045  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.003  -2.354   0.015  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.182  -1.631  -0.060  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.150  -0.247  -0.105  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.943   0.420  -0.069  1.00  0.00           C  
HETATM   25 CL   UNL     1      -6.705  -2.462  -0.097  1.00  0.00          Cl  
HETATM   26  H   UNL     1      -0.132  -1.265   0.133  1.00  0.00           H  
HETATM   27  H   UNL     1       2.270   2.942   0.109  1.00  0.00           H  
HETATM   28  H   UNL     1       2.642   5.246   0.057  1.00  0.00           H  
HETATM   29  H   UNL     1       1.340   6.306  -0.026  1.00  0.00           H  
HETATM   30  H   UNL     1       1.809  -1.701   0.224  1.00  0.00           H  
HETATM   31  H   UNL     1       4.490  -0.754   0.893  1.00  0.00           H  
HETATM   32  H   UNL     1       3.918  -2.250  -1.706  1.00  0.00           H  
HETATM   33  H   UNL     1       4.457  -0.559  -1.575  1.00  0.00           H  
HETATM   34  H   UNL     1       6.329  -1.963  -1.956  1.00  0.00           H  
HETATM   35  H   UNL     1       5.404  -4.038  -1.062  1.00  0.00           H  
HETATM   36  H   UNL     1       7.034  -3.659  -0.458  1.00  0.00           H  
HETATM   37  H   UNL     1       5.513  -4.321   1.394  1.00  0.00           H  
HETATM   38  H   UNL     1       6.053  -2.633   1.569  1.00  0.00           H  
HETATM   39  H   UNL     1       3.625  -2.793   1.978  1.00  0.00           H  
HETATM   40  H   UNL     1       3.394  -3.559   0.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.871  -2.263   0.103  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.034  -3.433   0.050  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.073   0.311  -0.164  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.920   1.499  -0.100  1.00  0.00           H  
CONECT    1    5    2                                                 
CONECT    2    1    6    3    3                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    5    5   26                                       
CONECT    5    1    4    4   19                                       
CONECT    6    2    7   27                                            
CONECT    7    6    9    9    8                                       
CONECT    8    7   28   29                                            
CONECT    9    7    7                                                 
CONECT   10    3   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   30                                            
CONECT   13   12   18   14   31                                       
CONECT   14   13   15   32   33                                       
CONECT   15   14   16   34                                            
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   13   17   39   40                                       
CONECT   19    5   20   20   24                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   25   23                                       
CONECT   23   22   24   24   43                                       
CONECT   24   19   23   23   44                                       
CONECT   25   22                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
