COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.646   1.779  -0.114  1.00  0.00           N  
HETATM    2  C   UNL     1       2.396   1.495   2.221  1.00  0.00           C  
HETATM    3  C   UNL     1       2.447   2.884  -0.647  1.00  0.00           C  
HETATM    4  O   UNL     1       0.734  -1.051   1.793  1.00  0.00           O  
HETATM    5  C   UNL     1       0.850  -0.095   1.057  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.531   2.326  -1.618  1.00  0.00           S  
HETATM    7  C   UNL     1       0.386   1.461  -0.460  1.00  0.00           C  
HETATM    8  C   UNL     1       2.066   0.797   0.900  1.00  0.00           C  
HETATM    9  C   UNL     1       3.250   0.003   0.412  1.00  0.00           C  
HETATM   10  C   UNL     1       4.065  -0.650   1.318  1.00  0.00           C  
HETATM   11  C   UNL     1       5.151  -1.377   0.873  1.00  0.00           C  
HETATM   12  C   UNL     1       5.424  -1.453  -0.486  1.00  0.00           C  
HETATM   13  C   UNL     1       4.605  -0.798  -1.393  1.00  0.00           C  
HETATM   14  C   UNL     1       3.517  -0.075  -0.943  1.00  0.00           C  
HETATM   15  O   UNL     1       6.492  -2.168  -0.926  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.071   0.392   0.202  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.352  -0.152   0.031  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.504  -1.405  -0.549  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.766  -1.939  -0.716  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.880  -1.228  -0.306  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.732   0.021   0.273  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.470   0.558   0.447  1.00  0.00           C  
HETATM   23 CL   UNL     1      -5.131   0.911   0.786  1.00  0.00          Cl  
HETATM   24 CL   UNL     1      -5.465  -1.903  -0.518  1.00  0.00          Cl  
HETATM   25  H   UNL     1       1.513   2.022   2.584  1.00  0.00           H  
HETATM   26  H   UNL     1       2.703   0.752   2.957  1.00  0.00           H  
HETATM   27  H   UNL     1       3.205   2.207   2.064  1.00  0.00           H  
HETATM   28  H   UNL     1       3.042   2.529  -1.488  1.00  0.00           H  
HETATM   29  H   UNL     1       1.786   3.684  -0.981  1.00  0.00           H  
HETATM   30  H   UNL     1       3.110   3.261   0.132  1.00  0.00           H  
HETATM   31  H   UNL     1       3.852  -0.590   2.375  1.00  0.00           H  
HETATM   32  H   UNL     1       5.788  -1.887   1.581  1.00  0.00           H  
HETATM   33  H   UNL     1       4.815  -0.855  -2.451  1.00  0.00           H  
HETATM   34  H   UNL     1       2.876   0.431  -1.649  1.00  0.00           H  
HETATM   35  H   UNL     1       6.294  -3.096  -1.115  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.635  -1.960  -0.870  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.884  -2.913  -1.168  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.354   1.530   0.902  1.00  0.00           H  
CONECT    1    3    7    8                                            
CONECT    2    8   25   26   27                                       
CONECT    3    1   28   29   30                                       
CONECT    4    5    5                                                 
CONECT    5   16    8    4    4                                       
CONECT    6    7    7                                                 
CONECT    7    6    6    1   16                                       
CONECT    8    1    2    5    9                                       
CONECT    9    8   14   14   10                                       
CONECT   10    9   11   11   31                                       
CONECT   11   10   10   12   32                                       
CONECT   12   13   13   11   15                                       
CONECT   13   14   12   12   33                                       
CONECT   14    9    9   13   34                                       
CONECT   15   12   35                                                 
CONECT   16    7   17    5                                            
CONECT   17   18   16   22   22                                       
CONECT   18   19   19   17   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   22   23                                       
CONECT   22   17   17   21   38                                       
CONECT   23   21                                                      
CONECT   24   20                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
