COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.742   4.714   0.185  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.167   3.375   0.034  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.984   2.950   0.548  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.743   2.305  -0.662  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.939   1.276  -0.576  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.820   1.653   0.182  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.723   0.833   0.504  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.686  -0.443   0.073  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.644  -0.916  -0.510  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.489  -1.265   0.309  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.457  -0.783   1.057  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.392  -2.622  -0.256  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.410  -3.173  -1.030  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.266  -4.448  -1.534  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.119  -5.186  -1.278  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.100  -4.660  -0.515  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.225  -3.372   0.004  1.00  0.00           C  
HETATM   18  C   UNL     1       0.829  -2.760   0.824  1.00  0.00           C  
HETATM   19  O   UNL     1       1.849  -3.376   1.070  1.00  0.00           O  
HETATM   20  N   UNL     1       0.661  -1.510   1.296  1.00  0.00           N  
HETATM   21  C   UNL     1       1.724  -0.917   2.112  1.00  0.00           C  
HETATM   22  C   UNL     1       2.696  -0.189   1.219  1.00  0.00           C  
HETATM   23  C   UNL     1       2.495   1.146   0.924  1.00  0.00           C  
HETATM   24  C   UNL     1       3.387   1.815   0.104  1.00  0.00           C  
HETATM   25 CL   UNL     1       3.136   3.492  -0.266  1.00  0.00          Cl  
HETATM   26  C   UNL     1       4.481   1.146  -0.419  1.00  0.00           C  
HETATM   27 CL   UNL     1       5.601   1.984  -1.447  1.00  0.00          Cl  
HETATM   28  C   UNL     1       4.680  -0.191  -0.122  1.00  0.00           C  
HETATM   29  C   UNL     1       3.791  -0.856   0.701  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.403   5.350  -0.633  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.830   4.647   0.167  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.420   5.142   1.135  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.298   3.537   1.141  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.108   0.303  -1.012  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.993   1.187   1.036  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.533   0.211   1.472  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.306  -2.606  -1.232  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.055  -4.877  -2.134  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.024  -6.184  -1.681  1.00  0.00           H  
HETATM   40  H   UNL     1       0.790  -5.241  -0.321  1.00  0.00           H  
HETATM   41  H   UNL     1       1.288  -0.215   2.823  1.00  0.00           H  
HETATM   42  H   UNL     1       2.249  -1.704   2.654  1.00  0.00           H  
HETATM   43  H   UNL     1       1.642   1.667   1.332  1.00  0.00           H  
HETATM   44  H   UNL     1       5.532  -0.713  -0.531  1.00  0.00           H  
HETATM   45  H   UNL     1       3.947  -1.899   0.932  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    4    1                                            
CONECT    3    6    6    2   33                                       
CONECT    4    5    5    2                                            
CONECT    5    6    4    4   34                                       
CONECT    6    7    5    3    3                                       
CONECT    7    8    6   35                                            
CONECT    8   10    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10   12   11   11    8                                       
CONECT   11   20   10   10   36                                       
CONECT   12   17   17   13   10                                       
CONECT   13   14   14   12   37                                       
CONECT   14   15   13   13   38                                       
CONECT   15   16   16   14   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   12   12                                       
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   11                                            
CONECT   21   20   22   41   42                                       
CONECT   22   29   21   23   23                                       
CONECT   23   22   22   24   43                                       
CONECT   24   26   26   23   25                                       
CONECT   25   24                                                      
CONECT   26   28   27   24   24                                       
CONECT   27   26                                                      
CONECT   28   29   29   26   44                                       
CONECT   29   28   28   22   45                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
