COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.542   0.430  -1.152  1.00  0.00           C  
HETATM    2  C   UNL     1       5.924   0.599   0.171  1.00  0.00           C  
HETATM    3  C   UNL     1       4.964   0.609   1.172  1.00  0.00           C  
HETATM    4  C   UNL     1       3.630   0.450   0.850  1.00  0.00           C  
HETATM    5  C   UNL     1       3.252   0.281  -0.469  1.00  0.00           C  
HETATM    6  C   UNL     1       4.206   0.277  -1.470  1.00  0.00           C  
HETATM    7  C   UNL     1       1.795   0.113  -0.819  1.00  0.00           C  
HETATM    8  N   UNL     1       0.985   1.011   0.012  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.402   0.826   0.025  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.957  -0.373  -0.387  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.121  -1.531  -0.863  1.00  0.00           C  
HETATM   12  C   UNL     1       1.371  -1.324  -0.557  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.506  -2.770  -0.019  1.00  0.00           C  
HETATM   14  C   UNL     1       0.510  -2.846   1.135  1.00  0.00           C  
HETATM   15  C   UNL     1       1.480  -1.660   0.946  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.218   1.865   0.458  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.589   1.703   0.479  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.146   0.506   0.068  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.336  -0.525  -0.363  1.00  0.00           C  
HETATM   20  O   UNL     1       7.237   0.755   0.486  1.00  0.00           O  
HETATM   21  S   UNL     1      -4.895   0.296   0.094  1.00  0.00           S  
HETATM   22  O   UNL     1      -5.130  -1.103   0.170  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.396   1.222   1.049  1.00  0.00           O  
HETATM   24  N   UNL     1      -5.470   0.788  -1.380  1.00  0.00           N  
HETATM   25  H   UNL     1       6.288   0.422  -1.933  1.00  0.00           H  
HETATM   26  H   UNL     1       5.259   0.740   2.203  1.00  0.00           H  
HETATM   27  H   UNL     1       2.882   0.457   1.629  1.00  0.00           H  
HETATM   28  H   UNL     1       3.908   0.145  -2.499  1.00  0.00           H  
HETATM   29  H   UNL     1       1.643   0.353  -1.871  1.00  0.00           H  
HETATM   30  H   UNL     1       1.399   1.713   0.538  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.278  -1.710  -1.927  1.00  0.00           H  
HETATM   32  H   UNL     1       1.976  -2.016  -1.142  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.515  -2.653   0.377  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.447  -3.671  -0.629  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.005  -2.758   2.091  1.00  0.00           H  
HETATM   36  H   UNL     1       1.057  -3.787   1.089  1.00  0.00           H  
HETATM   37  H   UNL     1       2.499  -1.955   1.199  1.00  0.00           H  
HETATM   38  H   UNL     1       1.167  -0.809   1.551  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.780   2.798   0.779  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.225   2.509   0.815  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.778  -1.457  -0.684  1.00  0.00           H  
HETATM   42  H   UNL     1       7.534   1.676   0.489  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.855   1.113  -2.056  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.421   0.750  -1.566  1.00  0.00           H  
CONECT    1    6    2    2   25                                       
CONECT    2    1    1    3   20                                       
CONECT    3    4    4    2   26                                       
CONECT    4    5    3    3   27                                       
CONECT    5    7    6    6    4                                       
CONECT    6    5    5    1   28                                       
CONECT    7   12    8    5   29                                       
CONECT    8    9    7   30                                            
CONECT    9   10   16   16    8                                       
CONECT   10   11   19   19    9                                       
CONECT   11   13   10   12   31                                       
CONECT   12   11   15    7   32                                       
CONECT   13   11   14   33   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   12   37   38                                       
CONECT   16    9    9   17   39                                       
CONECT   17   18   18   16   40                                       
CONECT   18   21   19   17   17                                       
CONECT   19   10   10   18   41                                       
CONECT   20    2   42                                                 
CONECT   21   22   22   24   18                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   43   44                                            
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
