COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.595  -2.072  -0.194  1.00  0.00           C  
HETATM    2  C   UNL     1       4.927   0.652   0.182  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.082   2.368  -0.665  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.208   2.019   0.312  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.489  -2.177  -0.092  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.028  -0.647   1.461  1.00  0.00           O  
HETATM    7  S   UNL     1      -6.172  -0.550   0.330  1.00  0.00           S  
HETATM    8  N   UNL     1      -4.870   0.315   0.877  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.771   0.639  -0.036  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.668  -0.413   0.101  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.536  -0.091  -0.879  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.086   1.288  -0.646  1.00  0.00           N  
HETATM   13  C   UNL     1       0.214   1.557  -0.418  1.00  0.00           C  
HETATM   14  C   UNL     1       1.224   0.438  -0.401  1.00  0.00           C  
HETATM   15  N   UNL     1       2.556   0.986  -0.134  1.00  0.00           N  
HETATM   16  C   UNL     1       3.663   0.134  -0.071  1.00  0.00           C  
HETATM   17  C   UNL     1       3.500  -1.232  -0.258  1.00  0.00           C  
HETATM   18  C   UNL     1       5.853  -1.554   0.057  1.00  0.00           C  
HETATM   19 CL   UNL     1       7.226  -2.613   0.137  1.00  0.00          Cl  
HETATM   20  C   UNL     1       6.019  -0.193   0.245  1.00  0.00           C  
HETATM   21 CL   UNL     1       5.135   2.360   0.417  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.573   2.700  -0.226  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.608  -3.080  -0.615  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.583   0.138  -0.843  1.00  0.00           O  
HETATM   25  H   UNL     1       4.468  -3.136  -0.335  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.490   2.471  -1.671  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.612   3.304  -0.362  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.816   2.005   1.329  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.000   2.764   0.237  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.726  -2.062  -0.861  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.045  -2.626   0.796  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.836   0.608   1.801  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.140   0.646  -1.062  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.281  -0.404   1.120  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.075  -1.399  -0.124  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.705  -0.779  -0.717  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.899  -0.189  -1.902  1.00  0.00           H  
HETATM   38  H   UNL     1       0.962  -0.276   0.380  1.00  0.00           H  
HETATM   39  H   UNL     1       1.225  -0.065  -1.368  1.00  0.00           H  
HETATM   40  H   UNL     1       2.671   1.940  -0.002  1.00  0.00           H  
HETATM   41  H   UNL     1       2.519  -1.638  -0.455  1.00  0.00           H  
HETATM   42  H   UNL     1       7.002   0.209   0.441  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.052  -2.630  -1.504  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.198  -4.057  -0.869  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.372  -3.195   0.154  1.00  0.00           H  
CONECT    1   17   17   18   25                                       
CONECT    2   16   16   20   21                                       
CONECT    3    4   12   26   27                                       
CONECT    4    3    9   28   29                                       
CONECT    5    7   23   30   31                                       
CONECT    6    7    7                                                 
CONECT    7    5    6    6    8                                       
CONECT    7   24   24                                                 
CONECT    8    7    9   32                                            
CONECT    9    4    8   10   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   36   37                                       
CONECT   12    3   11   13                                            
CONECT   13   12   14   22   22                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16   40                                            
CONECT   16    2    2   15   17                                       
CONECT   17    1    1   16   41                                       
CONECT   18    1   19   20   20                                       
CONECT   19   18                                                      
CONECT   20    2   18   18   42                                       
CONECT   21    2                                                      
CONECT   22   13   13                                                 
CONECT   23    5   43   44   45                                       
CONECT   24    7    7                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
