COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.088  -0.834  -0.424  1.00  0.00           S  
HETATM    2 BR   UNL     1      -5.219  -0.250   0.176  1.00  0.00          Br  
HETATM    3  C   UNL     1      -3.413   0.261  -0.053  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.949   1.509   0.043  1.00  0.00           C  
HETATM    5  N   UNL     1       1.239   0.151   0.578  1.00  0.00           N1+
HETATM    6  C   UNL     1      -1.586   1.641  -0.165  1.00  0.00           C  
HETATM    7  C   UNL     1       0.534   0.379  -0.691  1.00  0.00           C  
HETATM    8  C   UNL     1       2.681   0.031   0.322  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.945   0.502  -0.429  1.00  0.00           C  
HETATM   10  C   UNL     1       3.415  -0.206   1.644  1.00  0.00           C  
HETATM   11  C   UNL     1       3.194   1.320  -0.322  1.00  0.00           C  
HETATM   12  C   UNL     1       2.935  -1.147  -0.621  1.00  0.00           C  
HETATM   13  C   UNL     1       4.916  -0.332   1.378  1.00  0.00           C  
HETATM   14  C   UNL     1       4.695   1.195  -0.588  1.00  0.00           C  
HETATM   15  C   UNL     1       4.436  -1.272  -0.887  1.00  0.00           C  
HETATM   16  C   UNL     1       5.429   0.958   0.734  1.00  0.00           C  
HETATM   17  C   UNL     1       4.950   0.018  -1.531  1.00  0.00           C  
HETATM   18  C   UNL     1       5.170  -1.509   0.435  1.00  0.00           C  
HETATM   19  H   UNL     1      -3.587   2.351   0.264  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.081   2.595  -0.117  1.00  0.00           H  
HETATM   21  H   UNL     1       0.900   1.297  -1.150  1.00  0.00           H  
HETATM   22  H   UNL     1       3.233   0.633   2.316  1.00  0.00           H  
HETATM   23  H   UNL     1       5.248   1.797   1.405  1.00  0.00           H  
HETATM   24  H   UNL     1       2.671   1.489  -1.263  1.00  0.00           H  
HETATM   25  H   UNL     1       4.426   0.186  -2.472  1.00  0.00           H  
HETATM   26  H   UNL     1       1.071   0.928   1.200  1.00  0.00           H  
HETATM   27  H   UNL     1       2.569  -2.065  -0.162  1.00  0.00           H  
HETATM   28  H   UNL     1       6.240  -1.598   0.245  1.00  0.00           H  
HETATM   29  H   UNL     1       0.715  -0.460  -1.363  1.00  0.00           H  
HETATM   30  H   UNL     1       3.049  -1.125   2.103  1.00  0.00           H  
HETATM   31  H   UNL     1       3.013   2.159   0.350  1.00  0.00           H  
HETATM   32  H   UNL     1       2.412  -0.978  -1.562  1.00  0.00           H  
HETATM   33  H   UNL     1       5.439  -0.501   2.319  1.00  0.00           H  
HETATM   34  H   UNL     1       5.061   2.114  -1.047  1.00  0.00           H  
HETATM   35  H   UNL     1       4.618  -2.111  -1.559  1.00  0.00           H  
HETATM   36  H   UNL     1       6.499   0.869   0.544  1.00  0.00           H  
HETATM   37  H   UNL     1       6.019  -0.072  -1.721  1.00  0.00           H  
HETATM   38  H   UNL     1       4.805  -2.428   0.893  1.00  0.00           H  
HETATM   39  H   UNL     1       0.901  -0.699   1.003  1.00  0.00           H  
CONECT    1    3    9                                                 
CONECT    2    3                                                      
CONECT    3    1    2    4    4                                       
CONECT    4    3    3    6   19                                       
CONECT    5    7    8   26   39                                       
CONECT    6    4    9    9   20                                       
CONECT    7    5    9   21   29                                       
CONECT    8    5   10   11   12                                       
CONECT    9    1    6    6    7                                       
CONECT   10    8   13   22   30                                       
CONECT   11    8   14   24   31                                       
CONECT   12    8   15   27   32                                       
CONECT   13   10   16   18   33                                       
CONECT   14   11   16   17   34                                       
CONECT   15   12   17   18   35                                       
CONECT   16   13   14   23   36                                       
CONECT   17   14   15   25   37                                       
CONECT   18   13   15   28   38                                       
CONECT   19    4                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22   10                                                      
CONECT   23   16                                                      
CONECT   24   11                                                      
CONECT   25   17                                                      
CONECT   26    5                                                      
CONECT   27   12                                                      
CONECT   28   18                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39    5                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
