COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.921  -0.889   0.358  1.00  0.00           O  
HETATM    2  C   UNL     1       6.139  -0.003   0.089  1.00  0.00           C  
HETATM    3  N   UNL     1       6.485   1.272   0.026  1.00  0.00           N  
HETATM    4  C   UNL     1       4.678  -0.255  -0.214  1.00  0.00           C  
HETATM    5  S   UNL     1       4.031   1.421  -0.538  1.00  0.00           S  
HETATM    6  C   UNL     1       5.593   2.218  -0.275  1.00  0.00           C  
HETATM    7  O   UNL     1       5.812   3.411  -0.357  1.00  0.00           O  
HETATM    8  C   UNL     1       3.976  -0.882   0.992  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.502   0.706  -1.209  1.00  0.00           C  
HETATM   10  C   UNL     1       2.558  -1.233   0.621  1.00  0.00           C  
HETATM   11  C   UNL     1       2.270  -2.480   0.096  1.00  0.00           C  
HETATM   12  C   UNL     1       0.971  -2.804  -0.245  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.045  -1.878  -0.060  1.00  0.00           C  
HETATM   14  C   UNL     1       0.247  -0.627   0.466  1.00  0.00           C  
HETATM   15  C   UNL     1       1.546  -0.310   0.811  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.323  -2.194  -0.395  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.318  -1.191  -0.178  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.684  -1.726  -0.611  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.952   1.638   0.799  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.647   2.303   0.355  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.617   1.243   0.064  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.775   0.793   1.063  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.871  -0.135   0.816  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.540  -0.268  -1.431  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.733  -0.668  -0.382  1.00  0.00           C  
HETATM   26  H   UNL     1       7.405   1.524   0.203  1.00  0.00           H  
HETATM   27  H   UNL     1       4.570  -0.886  -1.096  1.00  0.00           H  
HETATM   28  H   UNL     1       4.507  -1.785   1.292  1.00  0.00           H  
HETATM   29  H   UNL     1       3.970  -0.172   1.819  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.149   1.035  -2.009  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.423  -0.708  -2.410  1.00  0.00           H  
HETATM   32  H   UNL     1       3.062  -3.200  -0.047  1.00  0.00           H  
HETATM   33  H   UNL     1       1.773   0.661   1.225  1.00  0.00           H  
HETATM   34  H   UNL     1       0.747  -3.778  -0.655  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.543   0.095   0.610  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.348  -0.932   0.880  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.073  -0.304  -0.762  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.654  -1.985  -1.670  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.929  -2.613  -0.027  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.697   2.405   1.009  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.316   0.986   0.004  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.772   1.050   1.698  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.827   2.891  -0.545  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.283   2.955   1.149  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.858   1.206   2.057  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    6   26                                            
CONECT    4    2    5    8   27                                       
CONECT    5    4    6                                                 
CONECT    6    3    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    4   10   28   29                                       
CONECT    9   21   24   24   30                                       
CONECT   10    8   11   15   15                                       
CONECT   11   10   12   12   32                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13   15   35                                       
CONECT   15   10   10   14   33                                       
CONECT   16   13   17                                                 
CONECT   17   16   18   36   37                                       
CONECT   18   17   25   38   39                                       
CONECT   19   20   40   41   42                                       
CONECT   20   19   21   43   44                                       
CONECT   21    9   20   22   22                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   25   25                                            
CONECT   24    9    9   25   31                                       
CONECT   25   18   23   23   24                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   24                                                      
CONECT   32   11                                                      
CONECT   33   15                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
