COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.923   0.131   0.297  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.972  -2.642   0.366  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.571  -3.125  -0.962  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.216  -1.405  -0.751  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.439  -0.887  -1.162  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.762   0.429  -0.898  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.648   0.726   0.187  1.00  0.00           C  
HETATM    8  C   UNL     1       2.021   2.106  -0.556  1.00  0.00           C  
HETATM    9  C   UNL     1       4.467   0.874  -0.562  1.00  0.00           C  
HETATM   10  C   UNL     1       5.836  -1.037  -0.133  1.00  0.00           C  
HETATM   11  C   UNL     1       3.331   0.146  -0.123  1.00  0.00           C  
HETATM   12 CL   UNL     1      -4.270   2.891   0.114  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -3.865   1.237  -0.221  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.318  -0.592  -0.077  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.934  -2.705  -1.024  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.982  -1.117   0.370  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.647  -0.603   1.703  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.394  -0.827   2.944  1.00  0.00           C  
HETATM   19  C   UNL     1       0.118  -0.581  -0.518  1.00  0.00           C  
HETATM   20  O   UNL     1       0.248  -0.754  -1.711  1.00  0.00           O  
HETATM   21  C   UNL     1       0.484   0.116   1.561  1.00  0.00           C  
HETATM   22  O   UNL     1       1.042   0.686   2.478  1.00  0.00           O  
HETATM   23  C   UNL     1       2.079   0.798  -0.126  1.00  0.00           C  
HETATM   24  C   UNL     1       3.482  -1.179   0.308  1.00  0.00           C  
HETATM   25  C   UNL     1       4.719  -1.750   0.298  1.00  0.00           C  
HETATM   26  C   UNL     1       5.726   0.252  -0.559  1.00  0.00           C  
HETATM   27  C   UNL     1       4.294   2.200  -0.989  1.00  0.00           C  
HETATM   28  N   UNL     1       3.104   2.752  -0.964  1.00  0.00           N  
HETATM   29  H   UNL     1      -1.572  -3.015   1.197  1.00  0.00           H  
HETATM   30  H   UNL     1       0.052  -3.003   0.461  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.015  -2.691  -1.793  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.520  -4.213  -1.013  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.140  -1.517  -1.690  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.713   0.827  -1.219  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.949   1.359   0.715  1.00  0.00           H  
HETATM   36  H   UNL     1       1.069   2.616  -0.564  1.00  0.00           H  
HETATM   37  H   UNL     1       6.805  -1.515  -0.131  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.020  -1.725   3.435  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.265   0.030   3.605  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.452  -0.952   2.713  1.00  0.00           H  
HETATM   41  H   UNL     1       2.625  -1.742   0.645  1.00  0.00           H  
HETATM   42  H   UNL     1       4.835  -2.772   0.629  1.00  0.00           H  
HETATM   43  H   UNL     1       6.600   0.791  -0.891  1.00  0.00           H  
HETATM   44  H   UNL     1       5.146   2.772  -1.327  1.00  0.00           H  
CONECT    1   23   21   19                                            
CONECT    2   16    3   29   30                                       
CONECT    3    2   15   31   32                                       
CONECT    4   14   15    5    5                                       
CONECT    5    4    4    6   33                                       
CONECT    6   13   13    5   34                                       
CONECT    7   14   14   13   35                                       
CONECT    8   28   28   23   36                                       
CONECT    9   26   27   27   11                                       
CONECT   10   26   26   25   37                                       
CONECT   11    9   24   23   23                                       
CONECT   12   13                                                      
CONECT   13    7   12    6    6                                       
CONECT   14   16    7    7    4                                       
CONECT   15    3    4                                                 
CONECT   16   17   19    2   14                                       
CONECT   17   21   18   16                                            
CONECT   18   17   38   39   40                                       
CONECT   19    1   16   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   22    1   17                                       
CONECT   22   21   21                                                 
CONECT   23   11   11    8    1                                       
CONECT   24   25   25   11   41                                       
CONECT   25   10   24   24   42                                       
CONECT   26   10   10    9   43                                       
CONECT   27    9    9   28   44                                       
CONECT   28   27    8    8                                            
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
