COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.136   0.655   0.182  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.679   1.961  -0.016  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.517   0.398   0.190  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.584   2.986  -0.202  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.411   1.439   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.946   2.726  -0.193  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.275  -2.892   1.193  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.922  -1.558  -0.339  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.924  -1.359   0.253  1.00  0.00           C  
HETATM   10  C   UNL     1       0.330  -2.277   0.131  1.00  0.00           C  
HETATM   11  C   UNL     1       1.704  -1.825  -0.293  1.00  0.00           C  
HETATM   12  C   UNL     1       3.752  -1.037  -0.251  1.00  0.00           C  
HETATM   13  C   UNL     1       6.832  -0.456   1.799  1.00  0.00           C  
HETATM   14  C   UNL     1       5.037  -0.469   0.207  1.00  0.00           C  
HETATM   15  C   UNL     1       8.688   1.335   1.270  1.00  0.00           C  
HETATM   16  C   UNL     1       5.634   0.560  -0.512  1.00  0.00           C  
HETATM   17  C   UNL     1       6.839   1.096  -0.074  1.00  0.00           C  
HETATM   18  N   UNL     1       7.660   2.089  -0.544  1.00  0.00           N  
HETATM   19  N   UNL     1       8.772   2.202   0.296  1.00  0.00           N  
HETATM   20  N   UNL     1       9.615   1.161   2.301  1.00  0.00           N  
HETATM   21  C   UNL     1       7.448   0.580   1.088  1.00  0.00           C  
HETATM   22  C   UNL     1       5.648  -0.971   1.365  1.00  0.00           C  
HETATM   23  N   UNL     1       2.652  -1.324   0.528  1.00  0.00           N  
HETATM   24  C   UNL     1       3.422  -1.384  -1.526  1.00  0.00           C  
HETATM   25 CL   UNL     1       4.443  -1.237  -2.922  1.00  0.00          Cl  
HETATM   26  N   UNL     1       2.171  -1.860  -1.512  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.625  -1.183  -0.061  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.303  -2.427   0.696  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.878  -0.266   0.061  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.178  -0.443   0.375  1.00  0.00           C  
HETATM   31 CL   UNL     1      -5.016   4.608  -0.447  1.00  0.00          Cl  
HETATM   32  N   UNL     1      -6.988  -0.905   0.386  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.589  -1.816   1.381  1.00  0.00           N  
HETATM   34  N   UNL     1      -8.059  -2.748   0.186  1.00  0.00           N  
HETATM   35  H   UNL     1      -3.619   2.168  -0.023  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.474   1.246   0.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.647   3.534  -0.340  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.457  -1.170  -1.193  1.00  0.00           H  
HETATM   39  H   UNL     1       0.028  -3.134  -0.472  1.00  0.00           H  
HETATM   40  H   UNL     1       0.350  -2.562   1.183  1.00  0.00           H  
HETATM   41  H   UNL     1       7.299  -0.852   2.689  1.00  0.00           H  
HETATM   42  H   UNL     1       5.161   0.945  -1.404  1.00  0.00           H  
HETATM   43  H   UNL     1       7.500   2.620  -1.340  1.00  0.00           H  
HETATM   44  H   UNL     1      10.411   1.714   2.336  1.00  0.00           H  
HETATM   45  H   UNL     1       9.462   0.487   2.982  1.00  0.00           H  
HETATM   46  H   UNL     1       5.177  -1.771   1.916  1.00  0.00           H  
HETATM   47  H   UNL     1       2.574  -1.191   1.486  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.322  -0.332  -0.414  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.541   0.682  -0.332  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.515  -1.391   0.768  1.00  0.00           H  
CONECT    1   30    2    2    3                                       
CONECT    2    1    1    4   35                                       
CONECT    3    1   32    5    5                                       
CONECT    4    2   31    6    6                                       
CONECT    5    3    3    6   36                                       
CONECT    6    4    4    5   37                                       
CONECT    7   33   33   34                                            
CONECT    8   32   34   34   38                                       
CONECT    9   27   29   28   28                                       
CONECT   10   27   11   39   40                                       
CONECT   11   10   26   26   23                                       
CONECT   12   24   24   23   14                                       
CONECT   13   22   21   21   41                                       
CONECT   14   12   22   22   16                                       
CONECT   15   21   20   19   19                                       
CONECT   16   14   17   17   42                                       
CONECT   17   16   16   21   18                                       
CONECT   18   17   19   43                                            
CONECT   19   18   15   15                                            
CONECT   20   15   44   45                                            
CONECT   21   13   13   17   15                                       
CONECT   22   14   14   13   46                                       
CONECT   23   11   12   47                                            
CONECT   24   26   25   12   12                                       
CONECT   25   24                                                      
CONECT   26   11   11   24                                            
CONECT   27   10    9   48                                            
CONECT   28    9    9                                                 
CONECT   29   30   30    9   49                                       
CONECT   30    1   29   29   50                                       
CONECT   31    4                                                      
CONECT   32   33    3    8                                            
CONECT   33    7    7   32                                            
CONECT   34    7    8    8                                            
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
