COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.106  -2.998   1.403  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.905  -1.754   0.657  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.626  -1.362   0.294  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.415  -1.892   0.476  1.00  0.00           N  
HETATM    5  C   UNL     1       0.500  -1.118  -0.071  1.00  0.00           C  
HETATM    6  N   UNL     1       1.854  -1.365  -0.069  1.00  0.00           N  
HETATM    7  C   UNL     1       2.320  -1.755  -1.407  1.00  0.00           C  
HETATM    8  C   UNL     1       3.839  -1.942  -1.380  1.00  0.00           C  
HETATM    9  N   UNL     1       4.186  -2.967  -0.386  1.00  0.00           N  
HETATM   10  C   UNL     1       3.720  -2.578   0.952  1.00  0.00           C  
HETATM   11  C   UNL     1       2.201  -2.390   0.926  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.100  -0.039  -0.638  1.00  0.00           N  
HETATM   13  C   UNL     1       0.562   1.058  -1.347  1.00  0.00           C  
HETATM   14  C   UNL     1       0.811   2.197  -0.392  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.123   3.208  -0.265  1.00  0.00           C  
HETATM   16  C   UNL     1       0.105   4.253   0.612  1.00  0.00           C  
HETATM   17  C   UNL     1       1.266   4.287   1.360  1.00  0.00           C  
HETATM   18  C   UNL     1       2.201   3.277   1.234  1.00  0.00           C  
HETATM   19  C   UNL     1       1.971   2.228   0.362  1.00  0.00           C  
HETATM   20 CL   UNL     1       3.140   0.955   0.207  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -1.464  -0.177  -0.415  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.597   0.588  -0.742  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.478   1.630  -1.362  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.818   0.157  -0.361  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.001   0.951  -0.700  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.964  -0.994   0.318  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.080  -1.355   0.640  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.063  -2.791   2.473  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.080  -3.418   1.154  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.324  -3.710   1.139  1.00  0.00           H  
HETATM   31  H   UNL     1       1.843  -2.690  -1.700  1.00  0.00           H  
HETATM   32  H   UNL     1       2.062  -0.975  -2.123  1.00  0.00           H  
HETATM   33  H   UNL     1       4.183  -2.260  -2.365  1.00  0.00           H  
HETATM   34  H   UNL     1       4.317  -1.000  -1.113  1.00  0.00           H  
HETATM   35  H   UNL     1       3.815  -3.868  -0.650  1.00  0.00           H  
HETATM   36  H   UNL     1       3.977  -3.358   1.669  1.00  0.00           H  
HETATM   37  H   UNL     1       4.197  -1.642   1.246  1.00  0.00           H  
HETATM   38  H   UNL     1       1.857  -2.073   1.910  1.00  0.00           H  
HETATM   39  H   UNL     1       1.723  -3.332   0.659  1.00  0.00           H  
HETATM   40  H   UNL     1       1.513   0.708  -1.750  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.074   1.400  -2.163  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.030   3.182  -0.850  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.625   5.043   0.711  1.00  0.00           H  
HETATM   44  H   UNL     1       1.444   5.104   2.044  1.00  0.00           H  
HETATM   45  H   UNL     1       3.108   3.304   1.819  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.388   0.632  -1.668  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.766   0.805   0.063  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.730   2.005  -0.746  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1   26    3                                            
CONECT    3    2   21   21    4                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4   12    6                                       
CONECT    6    5   11    7                                            
CONECT    7    6    8   31   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   35                                            
CONECT   10    9   11   36   37                                       
CONECT   11    6   10   38   39                                       
CONECT   12    5   21   13                                            
CONECT   13   12   14   40   41                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   42                                       
CONECT   16   15   17   17   43                                       
CONECT   17   16   16   18   44                                       
CONECT   18   17   19   19   45                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19                                                      
CONECT   21    3    3   12   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   26                                            
CONECT   25   24   46   47   48                                       
CONECT   26    2   24   27   27                                       
CONECT   27   26   26                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
