COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.416  -0.447  -0.185  1.00  0.00           C  
HETATM    2  C   UNL     1       6.421   0.399   0.244  1.00  0.00           C  
HETATM    3 CL   UNL     1       7.920   0.477  -0.627  1.00  0.00          Cl  
HETATM    4  C   UNL     1       6.232   1.185   1.368  1.00  0.00           C  
HETATM    5  C   UNL     1       5.039   1.125   2.064  1.00  0.00           C  
HETATM    6  C   UNL     1       4.032   0.281   1.640  1.00  0.00           C  
HETATM    7  C   UNL     1       4.217  -0.509   0.513  1.00  0.00           C  
HETATM    8  N   UNL     1       3.198  -1.364   0.081  1.00  0.00           N  
HETATM    9  C   UNL     1       1.911  -1.068   0.348  1.00  0.00           C  
HETATM   10  O   UNL     1       1.628  -0.010   0.878  1.00  0.00           O  
HETATM   11  C   UNL     1       0.843  -2.028  -0.003  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.496  -1.677   0.166  1.00  0.00           C  
HETATM   13  C   UNL     1       1.172  -3.287  -0.510  1.00  0.00           C  
HETATM   14  C   UNL     1       0.173  -4.181  -0.836  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.154  -3.836  -0.663  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.239  -4.819  -1.023  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.492  -2.581  -0.170  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.836  -2.237   0.003  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.214  -0.907   0.012  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.340   0.048  -0.279  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.537  -0.536   0.324  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.709  -1.242   0.668  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.669  -0.382   0.856  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.188   0.917   0.648  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.969   2.151   0.765  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.867   0.835   0.318  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.924   1.723   0.019  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.695   1.329  -0.273  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.676   2.354  -0.606  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.397   1.975  -1.025  1.00  0.00           C  
HETATM   31  C   UNL     1       0.517   2.970  -1.324  1.00  0.00           C  
HETATM   32  C   UNL     1       0.140   4.295  -1.200  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.074   4.622  -0.802  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.980   3.711  -0.512  1.00  0.00           C  
HETATM   35  H   UNL     1       5.562  -1.057  -1.065  1.00  0.00           H  
HETATM   36  H   UNL     1       7.018   1.846   1.702  1.00  0.00           H  
HETATM   37  H   UNL     1       4.895   1.740   2.941  1.00  0.00           H  
HETATM   38  H   UNL     1       3.101   0.234   2.186  1.00  0.00           H  
HETATM   39  H   UNL     1       3.418  -2.171  -0.410  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.756  -0.705   0.558  1.00  0.00           H  
HETATM   41  H   UNL     1       2.208  -3.560  -0.646  1.00  0.00           H  
HETATM   42  H   UNL     1       0.430  -5.154  -1.229  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.474  -5.434  -0.154  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.131  -4.277  -1.337  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.895  -5.457  -1.837  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.504  -2.931   0.117  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.795  -2.314   0.760  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.911   2.522   1.788  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.568   2.901   0.083  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.009   1.948   0.511  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.130   0.932  -1.113  1.00  0.00           H  
HETATM   52  H   UNL     1       1.514   2.714  -1.651  1.00  0.00           H  
HETATM   53  H   UNL     1       0.853   5.074  -1.429  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.964   4.018  -0.189  1.00  0.00           H  
CONECT    1    7    7    2   35                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   36                                       
CONECT    5    6    6    4   37                                       
CONECT    6    7    5    5   38                                       
CONECT    7    8    1    1    6                                       
CONECT    8    9    7   39                                            
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11   12   12   13    9                                       
CONECT   12   17   11   11   40                                       
CONECT   13   14   14   11   41                                       
CONECT   14   15   13   13   42                                       
CONECT   15   16   17   17   14                                       
CONECT   16   15   43   44   45                                       
CONECT   17   18   15   15   12                                       
CONECT   18   19   17   46                                            
CONECT   19   20   18   21   21                                       
CONECT   20   28   28   19                                            
CONECT   21   19   19   26   22                                       
CONECT   22   21   23   23   47                                       
CONECT   23   22   22   24                                            
CONECT   24   26   25   23                                            
CONECT   25   24   48   49   50                                       
CONECT   26   27   27   21   24                                       
CONECT   27   28   26   26                                            
CONECT   28   29   20   20   27                                       
CONECT   29   34   34   30   28                                       
CONECT   30   31   31   29   51                                       
CONECT   31   32   30   30   52                                       
CONECT   32   33   33   31   53                                       
CONECT   33   32   32   34                                            
CONECT   34   33   29   29   54                                       
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
