COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       2.136   1.342  -0.054  1.00  0.00           C  
HETATM    2  C   UNL     1       2.264   2.399  -1.120  1.00  0.00           C  
HETATM    3  C   UNL     1       3.227  -0.659   0.970  1.00  0.00           C  
HETATM    4  C   UNL     1       5.711  -0.912   0.877  1.00  0.00           C  
HETATM    5  C   UNL     1       4.319  -2.660   1.993  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.613  -0.744  -0.549  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.819  -1.400  -0.694  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.967  -0.878  -0.122  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.913   0.303   0.599  1.00  0.00           C  
HETATM   10 CL   UNL     1      -2.898  -2.881  -1.595  1.00  0.00          Cl  
HETATM   11 CL   UNL     1      -5.357   0.951   1.312  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -2.712   0.968   0.751  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.550   0.443   0.181  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.261   1.150   0.340  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.212   2.190   0.968  1.00  0.00           O  
HETATM   16  N   UNL     1       0.858   0.641  -0.211  1.00  0.00           N  
HETATM   17  O   UNL     1       1.379   2.552  -1.929  1.00  0.00           O  
HETATM   18  OXT UNL     1       3.361   3.171  -1.171  1.00  0.00           O  
HETATM   19  C   UNL     1       3.285   0.341  -0.186  1.00  0.00           C  
HETATM   20  C   UNL     1       4.377  -1.660   0.837  1.00  0.00           C  
HETATM   21  C   UNL     1       4.251  -2.408  -0.492  1.00  0.00           C  
HETATM   22  HA  UNL     1       2.174   1.811   0.930  1.00  0.00           H  
HETATM   23  H   UNL     1       3.317  -0.126   1.916  1.00  0.00           H  
HETATM   24  H   UNL     1       2.277  -1.192   0.942  1.00  0.00           H  
HETATM   25  H   UNL     1       6.530  -1.625   0.782  1.00  0.00           H  
HETATM   26  H   UNL     1       5.753  -0.199   0.053  1.00  0.00           H  
HETATM   27  H   UNL     1       5.801  -0.379   1.823  1.00  0.00           H  
HETATM   28  H   UNL     1       4.408  -2.127   2.940  1.00  0.00           H  
HETATM   29  H   UNL     1       3.368  -3.193   1.965  1.00  0.00           H  
HETATM   30  H   UNL     1       5.138  -3.373   1.898  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.718  -1.152  -0.996  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.909  -1.394  -0.238  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.669   1.886   1.317  1.00  0.00           H  
HETATM   34  H   UNL     1       0.819  -0.188  -0.712  1.00  0.00           H  
HETATM   35  HXT UNL     1       3.398   3.835  -1.873  1.00  0.00           H  
HETATM   36  H   UNL     1       3.196  -0.192  -1.133  1.00  0.00           H  
HETATM   37  H   UNL     1       4.236   0.874  -0.158  1.00  0.00           H  
HETATM   38  H   UNL     1       5.070  -3.121  -0.586  1.00  0.00           H  
HETATM   39  H   UNL     1       3.301  -2.941  -0.520  1.00  0.00           H  
HETATM   40  H   UNL     1       4.293  -1.695  -1.315  1.00  0.00           H  
CONECT    1    2   19   16   22                                       
CONECT    2   17   17   18    1                                       
CONECT    3   20   19   23   24                                       
CONECT    4   20   25   26   27                                       
CONECT    5   20   28   29   30                                       
CONECT    6   13    7    7   31                                       
CONECT    7    6    6    8   10                                       
CONECT    8    9    9    7   32                                       
CONECT    9   12   11    8    8                                       
CONECT   10    7                                                      
CONECT   11    9                                                      
CONECT   12   13   13    9   33                                       
CONECT   13   14   12   12    6                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16    1   14   34                                            
CONECT   17    2    2                                                 
CONECT   18    2   35                                                 
CONECT   19    3    1   36   37                                       
CONECT   20   21    4    5    3                                       
CONECT   21   20   38   39   40                                       
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33   12                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
