COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.136  -0.199   9.762  1.00  0.00           C  
HETATM    2  C   UNL     1       0.383   0.190   8.516  1.00  0.00           C  
HETATM    3  C   UNL     1       0.941   0.598   7.282  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.137   0.832   6.497  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.217   0.571   7.247  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.908   0.211   8.360  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.126   1.295   5.063  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.098   0.079   4.135  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.086   0.549   2.679  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.058  -0.666   1.751  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.047  -0.196   0.295  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.021  -1.331  -0.571  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.012  -0.854  -1.843  1.00  0.00           C  
HETATM   14  C   UNL     1       1.196  -0.595  -2.477  1.00  0.00           C  
HETATM   15 CL   UNL     1       2.692  -0.880  -1.643  1.00  0.00          Cl  
HETATM   16  C   UNL     1       1.209  -0.111  -3.769  1.00  0.00           C  
HETATM   17  C   UNL     1       0.006   0.117  -4.439  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.206  -0.144  -3.798  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.211  -0.633  -2.509  1.00  0.00           C  
HETATM   20 CL   UNL     1      -2.719  -0.958  -1.712  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.016   0.636  -5.823  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.065   0.869  -6.500  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.681   1.366  -7.836  1.00  0.00           C  
HETATM   24  C   UNL     1       0.818   0.992  -7.900  1.00  0.00           C  
HETATM   25  O   UNL     1       1.151   0.915  -6.497  1.00  0.00           O  
HETATM   26  H   UNL     1       1.300   0.684  10.378  1.00  0.00           H  
HETATM   27  H   UNL     1       0.555  -0.930  10.323  1.00  0.00           H  
HETATM   28  H   UNL     1       2.097  -0.632   9.485  1.00  0.00           H  
HETATM   29  H   UNL     1       1.985   0.700   7.026  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.021   1.884   4.864  1.00  0.00           H  
HETATM   31  H   UNL     1       0.757   1.908   4.886  1.00  0.00           H  
HETATM   32  H   UNL     1       0.797  -0.508   4.334  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.982  -0.532   4.312  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.982   1.138   2.480  1.00  0.00           H  
HETATM   35  H   UNL     1       0.797   1.162   2.502  1.00  0.00           H  
HETATM   36  H   UNL     1       0.836  -1.254   1.950  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.942  -1.278   1.928  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.943   0.392   0.096  1.00  0.00           H  
HETATM   39  H   UNL     1       0.836   0.416   0.118  1.00  0.00           H  
HETATM   40  H   UNL     1       2.149   0.090  -4.261  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.138   0.032  -4.314  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.244   0.856  -8.617  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.817   2.446  -7.903  1.00  0.00           H  
HETATM   44  H   UNL     1       0.961   0.031  -8.394  1.00  0.00           H  
HETATM   45  H   UNL     1       1.396   1.773  -8.394  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3    6    6                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6                                                 
CONECT    6    2    2    5                                            
CONECT    7    4    8   30   31                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10   34   35                                       
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   38   39                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   17   40                                       
CONECT   17   16   16   18   21                                       
CONECT   18   17   19   19   41                                       
CONECT   19   13   18   18   20                                       
CONECT   20   19                                                      
CONECT   21   17   22   22   25                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   42   43                                       
CONECT   24   23   25   44   45                                       
CONECT   25   21   24                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
