COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.193  -0.363  -0.951  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.273   1.847   0.612  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.443   2.306   0.006  1.00  0.00           C  
HETATM    4  C   UNL     1       3.067   0.426  -1.821  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.281   1.406  -0.656  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.949   0.067  -0.709  1.00  0.00           C  
HETATM    7  C   UNL     1       4.533   0.716   0.057  1.00  0.00           C  
HETATM    8  C   UNL     1       4.121  -0.212   2.262  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.789  -0.386  -0.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.947   0.503   0.548  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.785   3.696   0.063  1.00  0.00           C  
HETATM   12  C   UNL     1       2.563  -0.559   0.393  1.00  0.00           C  
HETATM   13  C   UNL     1       4.207   0.941  -1.298  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.055   4.798   0.109  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.808   0.051   1.136  1.00  0.00           O  
HETATM   16  C   UNL     1       0.005   1.019   1.803  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.374  -2.097  -0.180  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.041  -2.486   1.145  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.396  -2.726  -0.941  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.983  -2.227  -1.069  1.00  0.00           N  
HETATM   21  C   UNL     1       0.207  -1.668  -0.590  1.00  0.00           C  
HETATM   22  C   UNL     1       1.007  -0.924  -1.437  1.00  0.00           C  
HETATM   23  C   UNL     1       1.741  -1.307   1.230  1.00  0.00           C  
HETATM   24  C   UNL     1       0.573  -1.850   0.743  1.00  0.00           C  
HETATM   25  C   UNL     1       5.130   1.757  -2.166  1.00  0.00           C  
HETATM   26  O   UNL     1       5.563   1.189   0.506  1.00  0.00           O  
HETATM   27  N   UNL     1       3.737  -0.007   0.863  1.00  0.00           N  
HETATM   28  H   UNL     1      -1.621   2.538   1.125  1.00  0.00           H  
HETATM   29  H   UNL     1       2.810   0.593  -2.856  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.188   1.757  -1.126  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.597  -0.628  -1.221  1.00  0.00           H  
HETATM   32  H   UNL     1       5.069   0.291   2.456  1.00  0.00           H  
HETATM   33  H   UNL     1       3.352   0.200   2.915  1.00  0.00           H  
HETATM   34  H   UNL     1       4.230  -1.279   2.457  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.570   1.489   2.600  1.00  0.00           H  
HETATM   36  H   UNL     1       0.881   0.527   2.227  1.00  0.00           H  
HETATM   37  H   UNL     1       0.325   1.778   1.089  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.993  -2.690  -1.921  1.00  0.00           H  
HETATM   39  H   UNL     1       0.718  -0.776  -2.467  1.00  0.00           H  
HETATM   40  H   UNL     1       2.019  -1.462   2.262  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.059  -2.433   1.396  1.00  0.00           H  
HETATM   42  H   UNL     1       4.845   2.808  -2.112  1.00  0.00           H  
HETATM   43  H   UNL     1       6.155   1.640  -1.817  1.00  0.00           H  
HETATM   44  H   UNL     1       5.056   1.413  -3.198  1.00  0.00           H  
CONECT    1   22    4   12   12                                       
CONECT    2   10   10    3   28                                       
CONECT    3    2   11    5    5                                       
CONECT    4    1   13   13   29                                       
CONECT    5    3    3    6   30                                       
CONECT    6    9    9    5   31                                       
CONECT    7   13   27   26   26                                       
CONECT    8   27   32   33   34                                       
CONECT    9   17   10    6    6                                       
CONECT   10   15    2    2    9                                       
CONECT   11    3   14   14   14                                       
CONECT   12    1    1   23   27                                       
CONECT   13    4    4   25    7                                       
CONECT   14   11   11   11                                            
CONECT   15   16   10                                                 
CONECT   16   15   35   36   37                                       
CONECT   17   18   18   19   19                                       
CONECT   17    9   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   38                                            
CONECT   21   22   22   20   24                                       
CONECT   22   21   21    1   39                                       
CONECT   23   24   24   12   40                                       
CONECT   24   21   23   23   41                                       
CONECT   25   13   42   43   44                                       
CONECT   26    7    7                                                 
CONECT   27   12    7    8                                            
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
