COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.549   0.195  -0.081  1.00  0.00           C  
HETATM    2  C   UNL     1       7.267   0.701  -0.013  1.00  0.00           C  
HETATM    3  C   UNL     1       1.254   0.062   0.083  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.583  -2.032  -0.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.250  -0.661   0.089  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.895  -1.438   0.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.700   0.603   0.255  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.723  -0.282   0.197  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.189   0.068   0.225  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.037  -0.348  -0.979  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.187  -1.085   0.353  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.817   2.102   0.357  1.00  0.00           C  
HETATM   13  C   UNL     1       0.126  -0.264   0.086  1.00  0.00           C  
HETATM   14  N   UNL     1       3.090   1.745   0.163  1.00  0.00           N  
HETATM   15  C   UNL     1       4.454   1.688   0.127  1.00  0.00           C  
HETATM   16  C   UNL     1       4.795   0.373   0.022  1.00  0.00           C  
HETATM   17  N   UNL     1       3.664  -0.351  -0.005  1.00  0.00           N  
HETATM   18  C   UNL     1       2.629   0.459   0.079  1.00  0.00           C  
HETATM   19  C   UNL     1       6.176  -0.165  -0.050  1.00  0.00           C  
HETATM   20  C   UNL     1       6.386  -1.538  -0.156  1.00  0.00           C  
HETATM   21  C   UNL     1       7.673  -2.033  -0.224  1.00  0.00           C  
HETATM   22  C   UNL     1       8.752  -1.169  -0.191  1.00  0.00           C  
HETATM   23  C   UNL     1       2.273   2.955   0.277  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.885  -2.417  -0.007  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.194   0.254   0.179  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.543  -0.115   0.184  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.218  -1.513   0.112  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.858   2.667  -0.954  1.00  0.00           O  
HETATM   29  H   UNL     1       9.395   0.865  -0.052  1.00  0.00           H  
HETATM   30  H   UNL     1       7.109   1.766   0.070  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.801  -2.774  -0.078  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.439   1.008   0.717  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.845   0.319  -1.279  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.534  -0.873  -1.791  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.784  -2.095   0.417  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.095  -0.903   0.929  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.732   2.359   0.892  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.957   2.497   0.897  1.00  0.00           H  
HETATM   39  H   UNL     1       5.133   2.526   0.173  1.00  0.00           H  
HETATM   40  H   UNL     1       5.544  -2.214  -0.185  1.00  0.00           H  
HETATM   41  H   UNL     1       7.837  -3.098  -0.306  1.00  0.00           H  
HETATM   42  H   UNL     1       9.757  -1.560  -0.245  1.00  0.00           H  
HETATM   43  H   UNL     1       2.047   3.336  -0.719  1.00  0.00           H  
HETATM   44  H   UNL     1       1.344   2.719   0.796  1.00  0.00           H  
HETATM   45  H   UNL     1       2.821   3.712   0.839  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.145  -3.463  -0.079  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.934   3.631  -0.965  1.00  0.00           H  
CONECT    1   22    2    2   29                                       
CONECT    2   19    1    1   30                                       
CONECT    3   18   13   13   13                                       
CONECT    4   24   24    5   31                                       
CONECT    5    4   25   25   13                                       
CONECT    6   24   26   27   27                                       
CONECT    7   26    8    8   12                                       
CONECT    8    7    7   27    9                                       
CONECT    9    8   10   11   32                                       
CONECT   10    9   11   33   34                                       
CONECT   11    9   10   35   36                                       
CONECT   12    7   28   37   38                                       
CONECT   13    3    3    3    5                                       
CONECT   14   15   18   23                                            
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18                                            
CONECT   18   14   17   17    3                                       
CONECT   19   16   20   20    2                                       
CONECT   20   19   19   21   40                                       
CONECT   21   20   22   22   41                                       
CONECT   22   21   21    1   42                                       
CONECT   23   14   43   44   45                                       
CONECT   24    4    4    6   46                                       
CONECT   25    5    5   26                                            
CONECT   26   25    6    7                                            
CONECT   27    6    6    8                                            
CONECT   28   12   47                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
