COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -0.543   0.101  -6.548  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -0.445   0.649  -4.920  1.00  0.00           C  
HETATM    3  C   UNL     1       0.618   0.246  -4.111  1.00  0.00           C  
HETATM    4  C   UNL     1       0.698   0.691  -2.792  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.285   1.538  -2.283  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.348   1.942  -3.089  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.428   1.497  -4.409  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.197   2.033  -0.811  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.656   2.167  -0.242  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.729   2.438   1.266  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.013   1.429   2.038  1.00  0.00           N  
HETATM   12  C   UNL     1       0.382   1.340   1.621  1.00  0.00           C  
HETATM   13  C   UNL     1       0.482   0.979   0.138  1.00  0.00           C  
HETATM   14  C   UNL     1       0.615   3.359  -0.813  1.00  0.00           C  
HETATM   15  C   UNL     1       2.000   3.326  -0.665  1.00  0.00           C  
HETATM   16  C   UNL     1       2.728   4.515  -0.668  1.00  0.00           C  
HETATM   17  C   UNL     1       2.070   5.736  -0.819  1.00  0.00           C  
HETATM   18  C   UNL     1       0.683   5.766  -0.966  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.045   4.577  -0.964  1.00  0.00           C  
HETATM   20  C   UNL     1       2.825   6.970  -0.821  1.00  0.00           C  
HETATM   21  N   UNL     1       3.037   7.592   0.357  1.00  0.00           N  
HETATM   22  C   UNL     1       3.750   8.744   0.326  1.00  0.00           C  
HETATM   23  N   UNL     1       4.292   9.376  -0.738  1.00  0.00           N  
HETATM   24  C   UNL     1       4.038   8.697  -1.867  1.00  0.00           C  
HETATM   25  N   UNL     1       4.421   9.019  -3.137  1.00  0.00           N  
HETATM   26  C   UNL     1       3.939   8.039  -3.964  1.00  0.00           C  
HETATM   27  N   UNL     1       3.275   7.114  -3.303  1.00  0.00           N  
HETATM   28  C   UNL     1       3.329   7.513  -1.991  1.00  0.00           C  
HETATM   29  H   UNL     1       1.391  -0.414  -4.496  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.262   1.819  -5.027  1.00  0.00           H  
HETATM   31  H   UNL     1       1.530   0.372  -2.169  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.118   2.602  -2.699  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.215   1.245  -0.458  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.181   2.974  -0.770  1.00  0.00           H  
HETATM   35  H   UNL     1       1.541   0.872  -0.133  1.00  0.00           H  
HETATM   36  H   UNL     1       0.027  -0.008  -0.027  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.332   3.436   1.489  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.780   2.440   1.576  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.057   1.666   3.029  1.00  0.00           H  
HETATM   40  H   UNL     1       0.873   0.557   2.210  1.00  0.00           H  
HETATM   41  H   UNL     1       0.910   2.276   1.836  1.00  0.00           H  
HETATM   42  H   UNL     1       2.522   2.380  -0.546  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.125   4.610  -1.081  1.00  0.00           H  
HETATM   44  H   UNL     1       3.809   4.475  -0.553  1.00  0.00           H  
HETATM   45  H   UNL     1       0.155   6.710  -1.084  1.00  0.00           H  
HETATM   46  H   UNL     1       3.907   9.223   1.286  1.00  0.00           H  
HETATM   47  H   UNL     1       4.959   9.829  -3.417  1.00  0.00           H  
HETATM   48  H   UNL     1       4.106   8.060  -5.032  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7   32                                       
CONECT    7    2    2    6   30                                       
CONECT    8    5    9   13   14                                       
CONECT    9    8   10   33   34                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   39                                            
CONECT   12   11   13   40   41                                       
CONECT   13    8   12   35   36                                       
CONECT   14    8   15   19   19                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   20                                       
CONECT   18   17   17   19   45                                       
CONECT   19   14   14   18   43                                       
CONECT   20   17   21   28   28                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   46                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   28                                       
CONECT   25   24   26   47                                            
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   28                                            
CONECT   28   20   20   24   27                                       
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
