COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.422   1.273   0.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.942   1.276  -0.173  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.524   0.172   0.602  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.991   0.187   0.521  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.986  -1.121   0.156  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.465  -1.125   0.331  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.883  -0.020  -0.444  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.491  -0.035  -0.367  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.787  -1.173  -0.746  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.411  -1.191  -0.671  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.809   1.090   0.083  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.433   1.079   0.160  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.724  -0.065  -0.214  1.00  0.00           C  
HETATM   14  C   UNL     1       0.751  -0.080  -0.132  1.00  0.00           C  
HETATM   15  C   UNL     1       1.521  -1.196  -0.053  1.00  0.00           C  
HETATM   16  C   UNL     1       2.873  -0.782   0.007  1.00  0.00           C  
HETATM   17  C   UNL     1       4.092  -1.469   0.097  1.00  0.00           C  
HETATM   18 CL   UNL     1       4.135  -3.203   0.157  1.00  0.00          Cl  
HETATM   19  C   UNL     1       5.249  -0.735   0.135  1.00  0.00           C  
HETATM   20  C   UNL     1       5.182   0.660   0.084  1.00  0.00           C  
HETATM   21  C   UNL     1       6.432   1.448   0.126  1.00  0.00           C  
HETATM   22  O   UNL     1       7.505   0.882   0.203  1.00  0.00           O  
HETATM   23  N   UNL     1       6.382   2.794   0.078  1.00  0.00           N  
HETATM   24  N   UNL     1       4.018   1.291  -0.001  1.00  0.00           N  
HETATM   25  C   UNL     1       2.875   0.630  -0.040  1.00  0.00           C  
HETATM   26  N   UNL     1       1.561   1.033  -0.131  1.00  0.00           N  
HETATM   27  C   UNL     1       1.099   2.421  -0.209  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.985   2.073  -0.595  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.175   1.426   1.052  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.347   2.224   0.184  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.188   1.150  -1.227  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.298   0.084  -0.520  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.396  -0.641   1.103  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.367   1.130   0.919  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.423  -1.922   0.753  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.232  -1.275  -0.894  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.220  -0.999   1.385  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.061  -2.072  -0.026  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.319  -2.044  -1.098  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.865  -2.076  -0.965  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.358   1.974   0.372  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.904   1.953   0.510  1.00  0.00           H  
HETATM   43  H   UNL     1       1.166  -2.216  -0.037  1.00  0.00           H  
HETATM   44  H   UNL     1       6.206  -1.231   0.204  1.00  0.00           H  
HETATM   45  H   UNL     1       5.526   3.246   0.016  1.00  0.00           H  
HETATM   46  H   UNL     1       7.203   3.311   0.105  1.00  0.00           H  
HETATM   47  H   UNL     1       0.830   2.772   0.787  1.00  0.00           H  
HETATM   48  H   UNL     1       1.896   3.047  -0.611  1.00  0.00           H  
HETATM   49  H   UNL     1       0.228   2.478  -0.862  1.00  0.00           H  
CONECT    1    2    7   28   29                                       
CONECT    2    3    1   30   31                                       
CONECT    3    4    2    5                                            
CONECT    4    3   32   33   34                                       
CONECT    5    3    6   35   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    1    6    8                                            
CONECT    8    7   11   11    9                                       
CONECT    9    8   10   10   39                                       
CONECT   10    9    9   13   40                                       
CONECT   11    8    8   12   41                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   10   14                                       
CONECT   14   13   26   15   15                                       
CONECT   15   14   14   16   43                                       
CONECT   16   25   15   17   17                                       
CONECT   17   16   16   19   18                                       
CONECT   18   17                                                      
CONECT   19   20   20   17   44                                       
CONECT   20   24   21   19   19                                       
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   45   46                                            
CONECT   24   25   25   20                                            
CONECT   25   26   24   24   16                                       
CONECT   26   27   14   25                                            
CONECT   27   26   47   48   49                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
