COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.611  -0.469   1.458  1.00  0.00           C  
HETATM    2  C   UNL     1       3.202   2.644  -0.454  1.00  0.00           C  
HETATM    3  C   UNL     1       4.011   3.761  -0.525  1.00  0.00           C  
HETATM    4  C   UNL     1       5.325   3.692  -0.097  1.00  0.00           C  
HETATM    5  C   UNL     1       5.832   2.507   0.403  1.00  0.00           C  
HETATM    6  C   UNL     1       5.027   1.387   0.477  1.00  0.00           C  
HETATM    7  C   UNL     1       3.708   1.452   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1       1.641   0.276   0.633  1.00  0.00           C  
HETATM    9  C   UNL     1       1.175  -1.059   0.517  1.00  0.00           C  
HETATM   10  C   UNL     1       2.152  -1.793  -0.060  1.00  0.00           C  
HETATM   11  C   UNL     1       4.485  -1.368  -0.932  1.00  0.00           C  
HETATM   12  C   UNL     1       2.080  -3.265  -0.373  1.00  0.00           C  
HETATM   13  C   UNL     1       2.254  -3.476  -1.878  1.00  0.00           C  
HETATM   14  C   UNL     1       3.193  -4.001   0.377  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.210  -0.945   0.480  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.571  -0.657   0.557  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.757   0.192   1.060  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.867   0.671  -0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.830   0.491  -1.132  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.684  -0.174  -0.740  1.00  0.00           C  
HETATM   21  N   UNL     1       2.889   0.321   0.125  1.00  0.00           N  
HETATM   22  N   UNL     1       3.219  -0.969  -0.312  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.086  -1.536   0.930  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.411  -1.330   0.956  1.00  0.00           N  
HETATM   25  O   UNL     1       1.023   1.214   1.104  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.142  -0.064  -0.356  1.00  0.00           O  
HETATM   27 CL   UNL     1      -7.308   1.501  -0.730  1.00  0.00          Cl  
HETATM   28  H   UNL     1      -4.526  -0.844   2.467  1.00  0.00           H  
HETATM   29  H   UNL     1       2.175   2.699  -0.785  1.00  0.00           H  
HETATM   30  H   UNL     1       3.619   4.688  -0.914  1.00  0.00           H  
HETATM   31  H   UNL     1       5.956   4.567  -0.153  1.00  0.00           H  
HETATM   32  H   UNL     1       6.858   2.457   0.735  1.00  0.00           H  
HETATM   33  H   UNL     1       5.424   0.461   0.867  1.00  0.00           H  
HETATM   34  H   UNL     1       5.160  -0.513  -0.964  1.00  0.00           H  
HETATM   35  H   UNL     1       4.939  -2.168  -0.348  1.00  0.00           H  
HETATM   36  H   UNL     1       4.297  -1.721  -1.946  1.00  0.00           H  
HETATM   37  H   UNL     1       1.112  -3.656  -0.061  1.00  0.00           H  
HETATM   38  H   UNL     1       1.462  -2.951  -2.412  1.00  0.00           H  
HETATM   39  H   UNL     1       3.223  -3.084  -2.190  1.00  0.00           H  
HETATM   40  H   UNL     1       2.203  -4.540  -2.105  1.00  0.00           H  
HETATM   41  H   UNL     1       3.069  -3.851   1.449  1.00  0.00           H  
HETATM   42  H   UNL     1       3.141  -5.066   0.150  1.00  0.00           H  
HETATM   43  H   UNL     1       4.161  -3.609   0.065  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.568   0.334   1.759  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.918   0.866  -2.140  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.875  -0.315  -1.441  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.144  -2.289   1.539  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.471  -2.075   1.576  1.00  0.00           H  
CONECT    1   17   17   16   28                                       
CONECT    2    3    7    7   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    2    2    6   21                                       
CONECT    8   25   25   21    9                                       
CONECT    9    8   10   10   23                                       
CONECT   10   22    9    9   12                                       
CONECT   11   22   34   35   36                                       
CONECT   12   10   14   13   37                                       
CONECT   13   12   38   39   40                                       
CONECT   14   12   41   42   43                                       
CONECT   15   26   26   24   23                                       
CONECT   16   20   20    1   24                                       
CONECT   17   18    1    1   44                                       
CONECT   18   27   19   19   17                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   16   16   46                                       
CONECT   21    7    8   22                                            
CONECT   22   21   11   10                                            
CONECT   23   15    9   47                                            
CONECT   24   16   15   48                                            
CONECT   25    8    8                                                 
CONECT   26   15   15                                                 
CONECT   27   18                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
