COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.146  -1.461   0.329  1.00  0.00           N  
HETATM    2 CL   UNL     1      -8.659   0.485  -0.914  1.00  0.00          Cl  
HETATM    3  C   UNL     1       6.034  -2.172   0.386  1.00  0.00           C  
HETATM    4  N   UNL     1       4.878  -1.706  -0.032  1.00  0.00           N  
HETATM    5  C   UNL     1       4.789  -0.473  -0.538  1.00  0.00           C  
HETATM    6  C   UNL     1       5.948   0.320  -0.617  1.00  0.00           C  
HETATM    7  C   UNL     1       7.152  -0.225  -0.158  1.00  0.00           C  
HETATM    8  N   UNL     1       8.326   0.510  -0.211  1.00  0.00           N  
HETATM    9  N   UNL     1       5.582   1.526  -1.168  1.00  0.00           N  
HETATM   10  C   UNL     1       4.245   1.523  -1.438  1.00  0.00           C  
HETATM   11  C   UNL     1       3.707   0.342  -1.080  1.00  0.00           C  
HETATM   12  C   UNL     1       0.236  -0.526   0.055  1.00  0.00           C  
HETATM   13  N   UNL     1       1.590   0.084   0.085  1.00  0.00           N  
HETATM   14  C   UNL     1       2.262  -0.062  -1.214  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.043   0.018  -0.484  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.717  -1.323  -0.378  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.433  -1.697  -0.036  1.00  0.00           C  
HETATM   18  C   UNL     1       1.339   1.515   0.396  1.00  0.00           C  
HETATM   19  C   UNL     1       0.205   1.492   1.443  1.00  0.00           C  
HETATM   20  O   UNL     1       0.748   1.549   2.764  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.521   0.149   1.219  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.981   0.392   0.834  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.827  -1.200   0.637  1.00  0.00           S  
HETATM   24  C   UNL     1      -4.467  -0.726   0.201  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.798   0.619   0.094  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.083   0.987  -0.254  1.00  0.00           C  
HETATM   27  H   UNL     1       6.076  -3.173   0.790  1.00  0.00           H  
HETATM   28  H   UNL     1       9.155   0.122   0.110  1.00  0.00           H  
HETATM   29  H   UNL     1       8.319   1.411  -0.569  1.00  0.00           H  
HETATM   30  H   UNL     1       6.184   2.267  -1.339  1.00  0.00           H  
HETATM   31  H   UNL     1       3.698   2.346  -1.875  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.257  -0.312  -0.893  1.00  0.00           H  
HETATM   33  H   UNL     1       0.301  -1.602   0.218  1.00  0.00           H  
HETATM   34  H   UNL     1       1.773   0.576  -1.950  1.00  0.00           H  
HETATM   35  H   UNL     1       2.203  -1.101  -1.538  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.468  -2.077  -0.562  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.179  -2.744   0.047  1.00  0.00           H  
HETATM   38  H   UNL     1       2.233   1.976   0.814  1.00  0.00           H  
HETATM   39  H   UNL     1       1.018   2.048  -0.500  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.479   2.326   1.280  1.00  0.00           H  
HETATM   41  H   UNL     1       1.254   2.352   2.947  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.462  -0.467   2.117  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.472   0.970   1.617  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.022   0.944  -0.105  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.050   1.376   0.278  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.339   2.033  -0.342  1.00  0.00           H  
CONECT    1    3    3    7                                            
CONECT    2   15                                                      
CONECT    3    1    1    4   27                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7   28   29                                            
CONECT    9    6   10   30                                            
CONECT   10    9   11   11   31                                       
CONECT   11    5   10   10   14                                       
CONECT   12   13   21   32   33                                       
CONECT   13   12   14   18                                            
CONECT   14   11   13   34   35                                       
CONECT   15    2   16   16   26                                       
CONECT   16   15   15   17   36                                       
CONECT   17   16   24   24   37                                       
CONECT   18   13   19   38   39                                       
CONECT   19   18   20   21   40                                       
CONECT   20   19   41                                                 
CONECT   21   12   19   22   42                                       
CONECT   22   21   23   43   44                                       
CONECT   23   22   24                                                 
CONECT   24   17   17   23   25                                       
CONECT   25   24   26   26   45                                       
CONECT   26   15   25   25   46                                       
CONECT   27    3                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
