COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.224  -0.610  -0.772  1.00  0.00           C  
HETATM    2  O   UNL     1       4.691   0.600  -0.232  1.00  0.00           O  
HETATM    3  C   UNL     1       3.338   0.469  -0.235  1.00  0.00           C  
HETATM    4  C   UNL     1       2.541   1.502   0.239  1.00  0.00           C  
HETATM    5  C   UNL     1       1.169   1.373   0.238  1.00  0.00           C  
HETATM    6  C   UNL     1       2.756  -0.697  -0.712  1.00  0.00           C  
HETATM    7  C   UNL     1       1.384  -0.835  -0.711  1.00  0.00           C  
HETATM    8  C   UNL     1       0.580   0.202  -0.240  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.892   0.060  -0.243  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.774  -0.011  -1.415  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.589   0.022  -2.803  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.323   0.143  -3.347  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.150   0.176  -4.802  1.00  0.00           C  
HETATM   14  C   UNL     1       1.336   0.314  -5.136  1.00  0.00           C  
HETATM   15  O   UNL     1       2.051  -0.798  -4.596  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.662  -0.065  -3.586  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.870  -0.181  -3.067  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.088  -0.216  -1.770  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.078  -0.135  -0.907  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.996  -0.144   0.434  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.716  -0.033   0.845  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.273  -0.010   2.251  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.926   0.806   3.179  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.509   0.824   4.492  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.441   0.032   4.895  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.034   0.053   6.190  1.00  0.00           O  
HETATM   27  C   UNL     1       1.066  -0.851   6.292  1.00  0.00           C  
HETATM   28  C   UNL     1       0.213  -0.776   3.976  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.199  -0.804   2.661  1.00  0.00           C  
HETATM   30  H   UNL     1       6.312  -0.551  -0.790  1.00  0.00           H  
HETATM   31  H   UNL     1       4.915  -1.451  -0.152  1.00  0.00           H  
HETATM   32  H   UNL     1       4.851  -0.750  -1.787  1.00  0.00           H  
HETATM   33  H   UNL     1       2.998   2.408   0.610  1.00  0.00           H  
HETATM   34  H   UNL     1       0.550   2.178   0.607  1.00  0.00           H  
HETATM   35  H   UNL     1       3.379  -1.498  -1.080  1.00  0.00           H  
HETATM   36  H   UNL     1       0.932  -1.743  -1.082  1.00  0.00           H  
HETATM   37  H   UNL     1       0.450   0.206  -2.765  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.535  -0.747  -5.234  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.696   1.025  -5.213  1.00  0.00           H  
HETATM   40  H   UNL     1       1.464   0.339  -6.218  1.00  0.00           H  
HETATM   41  H   UNL     1       1.721   1.238  -4.703  1.00  0.00           H  
HETATM   42  H   UNL     1       2.981  -0.672  -4.829  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.716  -0.250  -3.736  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.757   1.422   2.867  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.013   1.455   5.209  1.00  0.00           H  
HETATM   46  H   UNL     1       1.429  -0.868   7.319  1.00  0.00           H  
HETATM   47  H   UNL     1       0.742  -1.852   6.004  1.00  0.00           H  
HETATM   48  H   UNL     1       1.868  -0.525   5.629  1.00  0.00           H  
HETATM   49  H   UNL     1       1.044  -1.389   4.293  1.00  0.00           H  
HETATM   50  H   UNL     1       0.308  -1.437   1.948  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    8    8   34                                       
CONECT    6    3    7    7   35                                       
CONECT    7    6    6    8   36                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   21   21                                       
CONECT   10    9   11   11   19                                       
CONECT   11   10   10   12   16                                       
CONECT   12   11   13   37                                            
CONECT   13   12   14   38   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   42                                                 
CONECT   16   11   17   17                                            
CONECT   17   16   16   18   43                                       
CONECT   18   17   19   19                                            
CONECT   19   10   18   18   20                                       
CONECT   20   19   21                                                 
CONECT   21    9    9   20   22                                       
CONECT   22   21   23   23   29                                       
CONECT   23   22   22   24   44                                       
CONECT   24   23   25   25   45                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27                                                 
CONECT   27   26   46   47   48                                       
CONECT   28   25   29   29   49                                       
CONECT   29   22   28   28   50                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
