COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.261  -1.148   0.234  1.00  0.00           C  
HETATM    2  C   UNL     1       1.170  -0.092   0.867  1.00  0.00           C  
HETATM    3  C   UNL     1       2.602  -0.626   0.915  1.00  0.00           C  
HETATM    4  C   UNL     1       3.082  -0.914  -0.509  1.00  0.00           C  
HETATM    5  C   UNL     1       3.174   1.500  -0.941  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.901  -1.394   0.016  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.610  -1.878   0.066  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.131  -0.030  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.773   0.386   0.075  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.535  -0.989   0.097  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.070   0.858   0.030  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.149  -1.502   0.151  1.00  0.00           C  
HETATM   13  C   UNL     1       0.744  -1.462  -1.183  1.00  0.00           C  
HETATM   14  C   UNL     1       2.183  -1.982  -1.135  1.00  0.00           C  
HETATM   15  C   UNL     1       4.985  -0.020   1.450  1.00  0.00           C  
HETATM   16  C   UNL     1       4.525  -1.437  -0.430  1.00  0.00           C  
HETATM   17  C   UNL     1       3.531   0.412   1.547  1.00  0.00           C  
HETATM   18  N   UNL     1       3.075   0.286  -1.328  1.00  0.00           N  
HETATM   19  N   UNL     1       3.212   2.478  -1.907  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.112  -0.640   0.180  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.944  -2.700   0.170  1.00  0.00           O  
HETATM   22  O   UNL     1       5.334  -0.388   0.117  1.00  0.00           O  
HETATM   23  S   UNL     1       3.264   2.007   0.739  1.00  0.00           S  
HETATM   24 CL   UNL     1      -5.369   2.568   0.003  1.00  0.00          Cl  
HETATM   25  H   UNL     1       0.287  -2.057   0.835  1.00  0.00           H  
HETATM   26  H   UNL     1       1.140   0.819   0.270  1.00  0.00           H  
HETATM   27  H   UNL     1       0.828   0.124   1.879  1.00  0.00           H  
HETATM   28  H   UNL     1       2.629  -1.543   1.502  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.733  -2.081  -0.012  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.432  -2.943   0.083  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.144   0.344  -0.049  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.945   1.079   0.102  1.00  0.00           H  
HETATM   33  H   UNL     1       0.099  -2.220  -1.626  1.00  0.00           H  
HETATM   34  H   UNL     1       0.705  -0.556  -1.788  1.00  0.00           H  
HETATM   35  H   UNL     1       2.525  -2.199  -2.147  1.00  0.00           H  
HETATM   36  H   UNL     1       2.222  -2.890  -0.534  1.00  0.00           H  
HETATM   37  H   UNL     1       5.623   0.803   1.771  1.00  0.00           H  
HETATM   38  H   UNL     1       5.147  -0.873   2.108  1.00  0.00           H  
HETATM   39  H   UNL     1       4.567  -2.313   0.218  1.00  0.00           H  
HETATM   40  H   UNL     1       4.880  -1.696  -1.427  1.00  0.00           H  
HETATM   41  H   UNL     1       3.268   0.521   2.599  1.00  0.00           H  
HETATM   42  H   UNL     1       3.286   3.411  -1.651  1.00  0.00           H  
HETATM   43  H   UNL     1       3.165   2.235  -2.845  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.276   0.316   0.165  1.00  0.00           H  
CONECT    1   13   20    2   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    4    2   17   28                                       
CONECT    4   14   16    3   18                                       
CONECT    5   18   18   23   19                                       
CONECT    6    7    7    8   29                                       
CONECT    7    6    6   10   30                                       
CONECT    8    6   11   11   31                                       
CONECT    9   10   10   11   32                                       
CONECT   10   12    7    9    9                                       
CONECT   11    8    8    9   24                                       
CONECT   12   21   21   10   20                                       
CONECT   13   14    1   33   34                                       
CONECT   14   13    4   35   36                                       
CONECT   15   22   17   37   38                                       
CONECT   16    4   22   39   40                                       
CONECT   17    3   15   23   41                                       
CONECT   18    4    5    5                                            
CONECT   19    5   42   43                                            
CONECT   20   12    1   44                                            
CONECT   21   12   12                                                 
CONECT   22   16   15                                                 
CONECT   23   17    5                                                 
CONECT   24   11                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
