COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.245  -0.665   0.027  1.00  0.00           N  
HETATM    2  C   UNL     1       3.957  -0.351   0.012  1.00  0.00           C  
HETATM    3  N   UNL     1       3.550   0.910  -0.008  1.00  0.00           N  
HETATM    4  C   UNL     1       4.425   1.902  -0.014  1.00  0.00           C  
HETATM    5  C   UNL     1       5.780   1.610   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1       6.171   0.280   0.022  1.00  0.00           C  
HETATM    7  S   UNL     1       2.758  -1.642   0.018  1.00  0.00           S  
HETATM    8  C   UNL     1       1.238  -0.659  -0.007  1.00  0.00           C  
HETATM    9  C   UNL     1       0.045  -1.579  -0.006  1.00  0.00           C  
HETATM   10  O   UNL     1       0.206  -2.781   0.010  1.00  0.00           O  
HETATM   11  C   UNL     1       3.954   3.334  -0.036  1.00  0.00           C  
HETATM   12  C   UNL     1       7.633  -0.085   0.039  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.316  -1.019  -0.025  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.426  -1.870  -0.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.698  -1.337  -0.041  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.878   0.035  -0.060  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.784   0.883  -0.061  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.506   0.366  -0.038  1.00  0.00           C  
HETATM   19  S   UNL     1      -5.507   0.705  -0.082  1.00  0.00           S  
HETATM   20  O   UNL     1      -5.398   2.007  -0.642  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.349  -0.305  -0.621  1.00  0.00           O  
HETATM   22  N   UNL     1      -5.974   0.912   1.493  1.00  0.00           N  
HETATM   23  H   UNL     1       6.515   2.401  -0.002  1.00  0.00           H  
HETATM   24  H   UNL     1       1.205  -0.019   0.874  1.00  0.00           H  
HETATM   25  H   UNL     1       1.220  -0.042  -0.906  1.00  0.00           H  
HETATM   26  H   UNL     1       3.831   3.692   0.985  1.00  0.00           H  
HETATM   27  H   UNL     1       4.690   3.950  -0.552  1.00  0.00           H  
HETATM   28  H   UNL     1       3.000   3.394  -0.560  1.00  0.00           H  
HETATM   29  H   UNL     1       7.994  -0.186  -0.984  1.00  0.00           H  
HETATM   30  H   UNL     1       8.197   0.697   0.548  1.00  0.00           H  
HETATM   31  H   UNL     1       7.766  -1.029   0.566  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.288  -2.941  -0.010  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.556  -1.993  -0.040  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.932   1.953  -0.076  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.654   1.030  -0.035  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.591   1.622   1.727  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.630   0.322   2.182  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    7    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   11                                       
CONECT    5    4    6    6   23                                       
CONECT    6    1    5    5   12                                       
CONECT    7    2    8                                                 
CONECT    8    7    9   24   25                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9                                                 
CONECT   11    4   26   27   28                                       
CONECT   12    6   29   30   31                                       
CONECT   13    9   14   14   18                                       
CONECT   14   13   13   15   32                                       
CONECT   15   14   16   16   33                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18   34                                       
CONECT   18   13   17   17   35                                       
CONECT   19   16   22   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   36   37                                            
CONECT   23    5                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
