COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.597  -3.900  -0.316  1.00  0.00           C  
HETATM    2  C   UNL     1       5.683  -2.774   0.093  1.00  0.00           C  
HETATM    3  C   UNL     1       5.868  -1.453  -0.141  1.00  0.00           C  
HETATM    4  C   UNL     1       4.735  -0.840   0.442  1.00  0.00           C  
HETATM    5  C   UNL     1       4.423   0.633   0.474  1.00  0.00           C  
HETATM    6  N   UNL     1       3.095   0.864  -0.101  1.00  0.00           N  
HETATM    7  C   UNL     1       2.075   1.507   0.501  1.00  0.00           C  
HETATM    8  C   UNL     1       1.019   1.508  -0.365  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.315   2.107  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.467   3.488   0.036  1.00  0.00           C  
HETATM   11 CL   UNL     1       0.914   4.537  -0.051  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -1.728   4.009   0.262  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.790   3.235   0.333  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.707   1.912   0.190  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.626   0.924   0.220  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.041  -0.234   0.024  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.730  -1.541  -0.010  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.141  -2.770  -0.213  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.117  -3.696  -0.170  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.935  -5.140  -0.337  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.333  -3.045   0.063  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.113  -1.763   0.166  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.153  -0.703   0.423  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.696  -0.048  -0.143  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.461   1.309  -0.047  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429   0.835  -1.534  1.00  0.00           C  
HETATM   27  N   UNL     1       2.670   0.459  -1.372  1.00  0.00           N  
HETATM   28  N   UNL     1       4.015  -1.802   0.944  1.00  0.00           N  
HETATM   29  O   UNL     1       4.522  -2.883   0.755  1.00  0.00           O  
HETATM   30  H   UNL     1       7.323  -4.085   0.476  1.00  0.00           H  
HETATM   31  H   UNL     1       6.009  -4.802  -0.487  1.00  0.00           H  
HETATM   32  H   UNL     1       7.120  -3.628  -1.233  1.00  0.00           H  
HETATM   33  H   UNL     1       6.691  -0.978  -0.654  1.00  0.00           H  
HETATM   34  H   UNL     1       4.438   0.985   1.506  1.00  0.00           H  
HETATM   35  H   UNL     1       5.169   1.176  -0.106  1.00  0.00           H  
HETATM   36  H   UNL     1       2.089   1.943   1.489  1.00  0.00           H  
HETATM   37  H   UNL     1       0.824   0.664  -2.412  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.843   5.076   0.384  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.034  -0.739  -0.303  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.090  -2.956  -0.377  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.751  -5.598   0.635  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.835  -5.571  -0.776  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.085  -5.326  -0.993  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.549  -0.345  -0.527  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.963  -1.126   1.017  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.700   0.127   0.965  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5   28   28                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5    7   27                                            
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    9   26                                       
CONECT    9    8   10   25   25                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10                                                      
CONECT   12   10   10   13   38                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   25                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   24                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   40                                       
CONECT   19   18   20   21                                            
CONECT   20   19   41   42   43                                       
CONECT   21   19   22   22                                            
CONECT   22   17   21   21   23                                       
CONECT   23   22   44   45   46                                       
CONECT   24   16   25   39                                            
CONECT   25    9    9   14   24                                       
CONECT   26    8   27   27   37                                       
CONECT   27    6   26   26                                            
CONECT   28    4    4   29                                            
CONECT   29    2   28                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37   26                                                      
CONECT   38   12                                                      
CONECT   39   24                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
