COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.980   0.940   2.186  1.00  0.00           C  
HETATM    2  C   UNL     1       2.191   0.708   1.319  1.00  0.00           C  
HETATM    3  C   UNL     1       2.325   1.388   0.123  1.00  0.00           C  
HETATM    4  C   UNL     1       3.436   1.175  -0.671  1.00  0.00           C  
HETATM    5  C   UNL     1       4.412   0.283  -0.270  1.00  0.00           C  
HETATM    6  C   UNL     1       4.278  -0.396   0.926  1.00  0.00           C  
HETATM    7  C   UNL     1       3.170  -0.180   1.723  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.122  -0.045   1.796  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.333   0.186   2.663  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.392   0.490   2.156  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.238   0.057   4.001  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.185   0.203   5.124  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.255  -0.750   5.895  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.023  -0.345   7.328  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.577   0.630   7.777  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.201  -1.067   8.105  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.145  -0.291   4.933  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.482   0.155   0.390  1.00  0.00           N  
HETATM   19  C   UNL     1       0.160  -0.530  -0.574  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.200  -0.328  -1.985  1.00  0.00           C  
HETATM   21  C   UNL     1       0.377  -0.955  -3.043  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.256  -0.487  -4.220  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.228   0.450  -3.818  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.009   1.082  -4.782  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.825   0.786  -6.114  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.866  -0.138  -6.508  1.00  0.00           C  
HETATM   27 CL   UNL     1      -0.655  -0.493  -8.195  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -0.088  -0.771  -5.581  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.177   0.532  -2.446  1.00  0.00           N  
HETATM   30  O   UNL     1       1.040  -1.317  -0.278  1.00  0.00           O  
HETATM   31  H   UNL     1       0.622   1.960   2.045  1.00  0.00           H  
HETATM   32  H   UNL     1       1.248   0.791   3.232  1.00  0.00           H  
HETATM   33  H   UNL     1       1.563   2.086  -0.189  1.00  0.00           H  
HETATM   34  H   UNL     1       3.541   1.706  -1.606  1.00  0.00           H  
HETATM   35  H   UNL     1       5.280   0.116  -0.892  1.00  0.00           H  
HETATM   36  H   UNL     1       5.041  -1.094   1.239  1.00  0.00           H  
HETATM   37  H   UNL     1       3.065  -0.711   2.657  1.00  0.00           H  
HETATM   38  H   UNL     1       0.235  -1.065   1.937  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.172  -0.212   4.923  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.223   1.210   5.538  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.520  -1.802   5.789  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.052  -0.807   9.024  1.00  0.00           H  
HETATM   43  H   UNL     1       0.417   0.570   5.292  1.00  0.00           H  
HETATM   44  H   UNL     1       0.493  -1.099   4.578  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.183   0.782   0.154  1.00  0.00           H  
HETATM   46  H   UNL     1       1.175  -1.681  -2.996  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.757   1.802  -4.485  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.432   1.278  -6.860  1.00  0.00           H  
HETATM   49  H   UNL     1       0.654  -1.489  -5.897  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.735   1.101  -1.893  1.00  0.00           H  
CONECT    1    2    8   31   32                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6   35                                       
CONECT    6    5    7    7   36                                       
CONECT    7    2    6    6   37                                       
CONECT    8    1    9   18   38                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   17                                            
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   17   41                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   42                                                 
CONECT   17   11   13   43   44                                       
CONECT   18    8   19   45                                            
CONECT   19   18   20   30   30                                       
CONECT   20   19   21   21   29                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24   29                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   26   48                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   22   26   26   49                                       
CONECT   29   20   23   50                                            
CONECT   30   19   19                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
