COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.218   1.423  -0.700  1.00  0.00           C  
HETATM    2  C   UNL     1       4.169   2.929  -0.699  1.00  0.00           C  
HETATM    3  C   UNL     1       3.860   0.900   0.693  1.00  0.00           C  
HETATM    4  C   UNL     1       3.944  -0.629   0.697  1.00  0.00           C  
HETATM    5  C   UNL     1       3.216   0.881  -1.723  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.005  -0.969  -1.087  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.107   0.096  -1.902  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.123  -0.014  -0.926  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.145   0.997  -1.735  1.00  0.00           C  
HETATM   10  C   UNL     1       0.391  -0.635   1.464  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.783   0.059   1.784  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.142   0.673   1.265  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.895  -0.049   0.950  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.827  -0.855  -0.206  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.240   1.690   0.380  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.651  -1.537  -0.506  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.190   0.792   0.226  1.00  0.00           C  
HETATM   18  O   UNL     1       1.691  -2.970  -1.285  1.00  0.00           O  
HETATM   19  S   UNL     1       1.932  -2.289  -0.062  1.00  0.00           S  
HETATM   20  O   UNL     1       2.335  -2.951   1.130  1.00  0.00           O  
HETATM   21  N   UNL     1       3.094  -1.153  -0.380  1.00  0.00           N  
HETATM   22  O   UNL     1       3.878   3.523   0.312  1.00  0.00           O  
HETATM   23  O   UNL     1       4.449   3.611  -1.821  1.00  0.00           O  
HETATM   24  C   UNL     1       3.293  -0.649  -1.746  1.00  0.00           C  
HETATM   25  C   UNL     1       0.448  -1.423   0.327  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.059  -1.841  -1.933  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.210   1.788  -0.603  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.308   1.165   2.364  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.838   0.831   2.898  1.00  0.00           O  
HETATM   30  O   UNL     1       1.477  -0.533   2.272  1.00  0.00           O  
HETATM   31  H   UNL     1       5.222   1.092  -0.965  1.00  0.00           H  
HETATM   32  H   UNL     1       4.560   1.305   1.424  1.00  0.00           H  
HETATM   33  H   UNL     1       2.847   1.209   0.949  1.00  0.00           H  
HETATM   34  H   UNL     1       4.976  -0.939   0.531  1.00  0.00           H  
HETATM   35  H   UNL     1       3.596  -1.012   1.657  1.00  0.00           H  
HETATM   36  H   UNL     1       2.209   1.191  -1.444  1.00  0.00           H  
HETATM   37  H   UNL     1       3.457   1.273  -2.711  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.061  -0.519  -2.789  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.909   1.082  -2.494  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.297   2.312   1.261  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.596  -2.155  -1.390  1.00  0.00           H  
HETATM   42  H   UNL     1       4.404   4.575  -1.772  1.00  0.00           H  
HETATM   43  H   UNL     1       2.515  -1.044  -2.398  1.00  0.00           H  
HETATM   44  H   UNL     1       4.272  -0.960  -2.111  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.024   2.488  -0.485  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.571   1.749   2.754  1.00  0.00           H  
HETATM   47  H   UNL     1       1.509  -1.198   2.974  1.00  0.00           H  
CONECT    1    5    2    3   31                                       
CONECT    2    1   23   22   22                                       
CONECT    3    1    4   32   33                                       
CONECT    4    3   21   34   35                                       
CONECT    5   24    1   36   37                                       
CONECT    6    8   14   26   26                                       
CONECT    7    9    8    8   38                                       
CONECT    8    7    7   17    6                                       
CONECT    9   27   27    7   39                                       
CONECT   10   25   30   11   11                                       
CONECT   11   10   10   29   13                                       
CONECT   12   13   17   28   28                                       
CONECT   13   14   14   11   12                                       
CONECT   14   16   13   13    6                                       
CONECT   15   17   17   27   40                                       
CONECT   16   25   25   14   41                                       
CONECT   17   12   15   15    8                                       
CONECT   18   19   19                                                 
CONECT   19   20   20   25   21                                       
CONECT   19   18   18                                                 
CONECT   20   19   19                                                 
CONECT   21   19   24    4                                            
CONECT   22    2    2                                                 
CONECT   23    2   42                                                 
CONECT   24   21    5   43   44                                       
CONECT   25   19   10   16   16                                       
CONECT   26    6    6                                                 
CONECT   27   15    9    9   45                                       
CONECT   28   12   12                                                 
CONECT   29   11   46                                                 
CONECT   30   10   47                                                 
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
