COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.656  -2.113  -1.686  1.00  0.00           C  
HETATM    2  C   UNL     1       0.032  -2.273  -0.355  1.00  0.00           C  
HETATM    3  N   UNL     1       0.911  -3.240  -0.187  1.00  0.00           N  
HETATM    4  C   UNL     1       1.538  -3.419   0.959  1.00  0.00           C  
HETATM    5  C   UNL     1       1.298  -2.592   2.041  1.00  0.00           C  
HETATM    6  C   UNL     1       0.383  -1.561   1.914  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.261  -1.393   0.685  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.249  -0.304   0.495  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.479  -0.607   0.126  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.403   0.342  -0.052  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.713   0.011  -0.445  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.153  -1.647  -0.706  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -5.635   0.999  -0.619  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.303   2.336  -0.413  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.044   2.693  -0.033  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.068   1.703   0.156  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.756   2.036   0.550  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.856   1.026   0.716  1.00  0.00           C  
HETATM   19  C   UNL     1       0.555   1.335   1.143  1.00  0.00           C  
HETATM   20  C   UNL     1       0.627   2.770   1.668  1.00  0.00           C  
HETATM   21  N   UNL     1       1.455   1.189  -0.004  1.00  0.00           N  
HETATM   22  C   UNL     1       2.789   0.880   0.198  1.00  0.00           C  
HETATM   23  C   UNL     1       3.668   0.742  -0.891  1.00  0.00           C  
HETATM   24  N   UNL     1       3.541   0.842  -2.236  1.00  0.00           N  
HETATM   25  C   UNL     1       4.693   0.615  -2.797  1.00  0.00           C  
HETATM   26  N   UNL     1       5.632   0.354  -1.844  1.00  0.00           N  
HETATM   27  C   UNL     1       5.010   0.428  -0.623  1.00  0.00           C  
HETATM   28  N   UNL     1       5.399   0.273   0.639  1.00  0.00           N  
HETATM   29  C   UNL     1       4.540   0.412   1.627  1.00  0.00           C  
HETATM   30  N   UNL     1       3.270   0.711   1.425  1.00  0.00           N  
HETATM   31  H   UNL     1      -1.556  -2.728  -1.706  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.928  -1.067  -1.831  1.00  0.00           H  
HETATM   33  H   UNL     1       0.016  -2.428  -2.484  1.00  0.00           H  
HETATM   34  H   UNL     1       2.251  -4.225   1.055  1.00  0.00           H  
HETATM   35  H   UNL     1       1.817  -2.749   2.975  1.00  0.00           H  
HETATM   36  H   UNL     1       0.179  -0.897   2.742  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.640   0.741  -0.920  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.053   3.099  -0.558  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.800   3.734   0.123  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.472   3.064   0.715  1.00  0.00           H  
HETATM   41  H   UNL     1       0.856   0.644   1.931  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.043   2.878   2.522  1.00  0.00           H  
HETATM   43  H   UNL     1       1.648   2.994   1.977  1.00  0.00           H  
HETATM   44  H   UNL     1       0.326   3.461   0.880  1.00  0.00           H  
HETATM   45  H   UNL     1       1.116   1.310  -0.905  1.00  0.00           H  
HETATM   46  H   UNL     1       4.878   0.630  -3.861  1.00  0.00           H  
HETATM   47  H   UNL     1       6.568   0.153  -2.000  1.00  0.00           H  
HETATM   48  H   UNL     1       4.888   0.280   2.640  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    5    5    3   34                                       
CONECT    5    6    4    4   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7    8    6    6    2                                       
CONECT    8    9    9   18    7                                       
CONECT    9   10    8    8                                            
CONECT   10   11   11   16    9                                       
CONECT   11   13   12   10   10                                       
CONECT   12   11                                                      
CONECT   13   14   14   11   37                                       
CONECT   14   13   13   15   38                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   10   17                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17    8   19                                       
CONECT   19   18   20   21   41                                       
CONECT   20   19   42   43   44                                       
CONECT   21   19   22   45                                            
CONECT   22   21   30   30   23                                       
CONECT   23   22   24   27   27                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24   26   46                                       
CONECT   26   27   25   47                                            
CONECT   27   23   23   28   26                                       
CONECT   28   29   29   27                                            
CONECT   29   30   28   28   48                                       
CONECT   30   22   22   29                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
