COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.500   0.738   0.957  1.00  0.00           C  
HETATM    2  C   UNL     1       4.276   1.375   0.812  1.00  0.00           C  
HETATM    3  C   UNL     1       3.222   0.658   0.243  1.00  0.00           C  
HETATM    4  C   UNL     1       4.571  -2.908  -1.902  1.00  0.00           C  
HETATM    5  C   UNL     1       1.891   1.289   0.063  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.397   1.147  -0.570  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.547   2.508  -0.798  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.811   3.058  -0.878  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.927   2.255  -0.731  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.781   0.899  -0.504  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.520   0.341  -0.429  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.000   0.027  -0.344  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.147   0.846   0.262  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.423  -0.525  -1.707  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.529  -2.863   1.531  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.743  -1.773   1.037  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.003  -1.330   0.993  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.377  -0.058   0.379  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.702  -1.072   0.561  1.00  0.00           O  
HETATM   20  N   UNL     1       0.882   0.587  -0.489  1.00  0.00           N  
HETATM   21  O   UNL     1       1.711   2.438   0.413  1.00  0.00           O  
HETATM   22  N   UNL     1       3.432  -0.600  -0.137  1.00  0.00           N  
HETATM   23  C   UNL     1       4.611  -1.163   0.020  1.00  0.00           C  
HETATM   24  C   UNL     1       4.805  -2.590  -0.424  1.00  0.00           C  
HETATM   25  C   UNL     1       3.562  -3.373  -0.850  1.00  0.00           C  
HETATM   26  N   UNL     1       5.627  -0.514   0.555  1.00  0.00           N  
HETATM   27  C   UNL     1       6.673   1.468   1.561  1.00  0.00           C  
HETATM   28  H   UNL     1       4.141   2.397   1.132  1.00  0.00           H  
HETATM   29  H   UNL     1       4.277  -2.085  -2.553  1.00  0.00           H  
HETATM   30  H   UNL     1       5.207  -3.666  -2.360  1.00  0.00           H  
HETATM   31  H   UNL     1       0.324   3.137  -0.912  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.929   4.117  -1.056  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.915   2.688  -0.794  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.407  -0.718  -0.251  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.860   1.205   1.251  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.375   1.694  -0.384  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.609  -1.116  -2.128  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.304  -1.155  -1.586  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.656   0.302  -2.377  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.701  -1.877   1.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.131   0.433   0.994  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.786  -0.243  -0.614  1.00  0.00           H  
HETATM   43  H   UNL     1       1.042  -0.307  -0.830  1.00  0.00           H  
HETATM   44  H   UNL     1       5.594  -3.139   0.090  1.00  0.00           H  
HETATM   45  H   UNL     1       2.603  -2.856  -0.810  1.00  0.00           H  
HETATM   46  H   UNL     1       3.533  -4.437  -0.617  1.00  0.00           H  
HETATM   47  H   UNL     1       7.232   1.972   0.772  1.00  0.00           H  
HETATM   48  H   UNL     1       6.312   2.205   2.278  1.00  0.00           H  
HETATM   49  H   UNL     1       7.323   0.755   2.068  1.00  0.00           H  
CONECT    1    2    2   26   27                                       
CONECT    2    3    1    1   28                                       
CONECT    3    5   22   22    2                                       
CONECT    4   25   24   29   30                                       
CONECT    5   20   21   21    3                                       
CONECT    6    7    7   11   20                                       
CONECT    7    8    6    6   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10    6   34                                       
CONECT   12   14   10   13   19                                       
CONECT   13   12   18   35   36                                       
CONECT   14   12   37   38   39                                       
CONECT   15   16   16                                                 
CONECT   16   19   17   15   15                                       
CONECT   17   18   16   40                                            
CONECT   18   13   17   41   42                                       
CONECT   19   12   16                                                 
CONECT   20    6    5   43                                            
CONECT   21    5    5                                                 
CONECT   22    3    3   23                                            
CONECT   23   22   24   26   26                                       
CONECT   24   25   23    4   44                                       
CONECT   25    4   24   45   46                                       
CONECT   26   23   23    1                                            
CONECT   27    1   47   48   49                                       
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
