COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -4.300  -2.223  -2.391  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -3.557  -1.173  -1.225  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.940  -1.558  -0.091  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.765  -2.972   0.401  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.878  -3.331   1.222  1.00  0.00           O  
HETATM    6  N   UNL     1      -3.491   0.165  -1.299  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.862   0.624  -0.251  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.582   2.076   0.039  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.740   2.668   0.845  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.455   4.142   1.139  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.613   4.734   1.945  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.501  -0.418   0.528  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.772  -0.343   1.797  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.290  -0.409   1.530  1.00  0.00           C  
HETATM   15  C   UNL     1       0.424   0.756   1.316  1.00  0.00           C  
HETATM   16  C   UNL     1       1.781   0.701   1.070  1.00  0.00           C  
HETATM   17  C   UNL     1       0.351  -1.635   1.505  1.00  0.00           C  
HETATM   18  C   UNL     1       1.708  -1.702   1.261  1.00  0.00           C  
HETATM   19  C   UNL     1       2.432  -0.531   1.038  1.00  0.00           C  
HETATM   20  C   UNL     1       3.889  -0.597   0.775  1.00  0.00           C  
HETATM   21  C   UNL     1       4.720  -1.329   1.619  1.00  0.00           C  
HETATM   22  C   UNL     1       6.077  -1.388   1.370  1.00  0.00           C  
HETATM   23  C   UNL     1       6.619  -0.721   0.285  1.00  0.00           C  
HETATM   24  C   UNL     1       5.809   0.010  -0.561  1.00  0.00           C  
HETATM   25  C   UNL     1       4.438   0.075  -0.328  1.00  0.00           C  
HETATM   26  C   UNL     1       3.564   0.859  -1.234  1.00  0.00           C  
HETATM   27  N   UNL     1       2.236   1.014  -1.130  1.00  0.00           N  
HETATM   28  N   UNL     1       3.942   1.544  -2.296  1.00  0.00           N  
HETATM   29  N   UNL     1       2.891   2.083  -2.812  1.00  0.00           N  
HETATM   30  N   UNL     1       1.861   1.769  -2.106  1.00  0.00           N  
HETATM   31  H   UNL     1      -2.709  -3.649  -0.452  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.846  -3.043   0.982  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.832  -4.231   1.575  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.659   2.160   0.613  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.477   2.620  -0.900  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.662   2.584   0.271  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.844   2.124   1.783  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.532   4.227   1.713  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.350   4.686   0.201  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.410   5.784   2.155  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.536   4.650   1.371  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.718   4.190   2.884  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.009   0.596   2.297  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.064  -1.178   2.433  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.081   1.710   1.340  1.00  0.00           H  
HETATM   46  H   UNL     1       2.338   1.611   0.902  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.211  -2.541   1.677  1.00  0.00           H  
HETATM   48  H   UNL     1       2.207  -2.659   1.242  1.00  0.00           H  
HETATM   49  H   UNL     1       4.304  -1.851   2.467  1.00  0.00           H  
HETATM   50  H   UNL     1       6.719  -1.957   2.026  1.00  0.00           H  
HETATM   51  H   UNL     1       7.681  -0.773   0.099  1.00  0.00           H  
HETATM   52  H   UNL     1       6.238   0.529  -1.406  1.00  0.00           H  
HETATM   53  H   UNL     1       2.880   2.643  -3.603  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    6                                       
CONECT    3    4    2    2   12                                       
CONECT    4    5    3   31   32                                       
CONECT    5    4   33                                                 
CONECT    6    2    7    7                                            
CONECT    7   12    6    6    8                                       
CONECT    8    7    9   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   40   41   42                                       
CONECT   12    3   13    7                                            
CONECT   13   14   12   43   44                                       
CONECT   14   17   17   15   13                                       
CONECT   15   16   16   14   45                                       
CONECT   16   19   15   15   46                                       
CONECT   17   18   14   14   47                                       
CONECT   18   19   19   17   48                                       
CONECT   19   20   18   18   16                                       
CONECT   20   25   21   21   19                                       
CONECT   21   22   20   20   49                                       
CONECT   22   23   23   21   50                                       
CONECT   23   24   22   22   51                                       
CONECT   24   23   25   25   52                                       
CONECT   25   24   24   26   20                                       
CONECT   26   27   28   28   25                                       
CONECT   27   30   30   26                                            
CONECT   28   29   26   26                                            
CONECT   29   30   28   53                                            
CONECT   30   27   27   29                                            
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
