COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.363  -0.953   0.140  1.00  0.00           C  
HETATM    2  C   UNL     1       4.695  -1.633  -0.184  1.00  0.00           C  
HETATM    3  O   UNL     1       4.733  -2.926   0.424  1.00  0.00           O  
HETATM    4  C   UNL     1       5.843  -0.777   0.361  1.00  0.00           C  
HETATM    5  O   UNL     1       7.093  -1.368   0.001  1.00  0.00           O  
HETATM    6  C   UNL     1       5.746   0.629  -0.239  1.00  0.00           C  
HETATM    7  O   UNL     1       6.768   1.457   0.319  1.00  0.00           O  
HETATM    8  C   UNL     1       4.372   1.221   0.088  1.00  0.00           C  
HETATM    9  O   UNL     1       3.351   0.361  -0.421  1.00  0.00           O  
HETATM   10  C   UNL     1       4.247   2.581  -0.550  1.00  0.00           C  
HETATM   11  O   UNL     1       2.290  -1.718  -0.415  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.052  -2.009  -0.639  1.00  0.00           C  
HETATM   13  C   UNL     1       1.028  -1.307  -0.129  1.00  0.00           C  
HETATM   14  C   UNL     1       0.835  -0.187   0.673  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.446   0.242   0.966  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.542  -0.459   0.448  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.347  -1.598  -0.354  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.925  -0.030   0.716  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.968  -0.666  -0.112  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.626  -1.757  -0.844  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.401  -2.282  -0.838  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.350  -0.129  -0.143  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.596   1.136  -0.674  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.883   1.632  -0.703  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.932   0.874  -0.202  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.691  -0.387   0.327  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.407  -0.891   0.353  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.191   0.799   1.570  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.640   1.332   1.751  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.199   1.366  -0.231  1.00  0.00           O  
HETATM   31  O   UNL     1       3.431   2.767  -1.421  1.00  0.00           O  
HETATM   32  O   UNL     1       5.043   3.586  -0.149  1.00  0.00           O  
HETATM   33  H   UNL     1       3.241  -0.888   1.221  1.00  0.00           H  
HETATM   34  H   UNL     1       4.799  -1.736  -1.265  1.00  0.00           H  
HETATM   35  H   UNL     1       4.030  -3.520   0.128  1.00  0.00           H  
HETATM   36  H   UNL     1       5.767  -0.716   1.447  1.00  0.00           H  
HETATM   37  H   UNL     1       7.218  -2.263   0.344  1.00  0.00           H  
HETATM   38  H   UNL     1       5.871   0.573  -1.320  1.00  0.00           H  
HETATM   39  H   UNL     1       6.766   2.364  -0.017  1.00  0.00           H  
HETATM   40  H   UNL     1       4.265   1.315   1.168  1.00  0.00           H  
HETATM   41  H   UNL     1       0.114  -2.875  -1.263  1.00  0.00           H  
HETATM   42  H   UNL     1       1.687   0.348   1.067  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.380  -2.219  -1.463  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.780   1.727  -1.063  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.074   2.612  -1.114  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.509  -0.974   0.716  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.220  -1.873   0.761  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.687   2.165   1.262  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.687   1.150  -1.037  1.00  0.00           H  
HETATM   50  H   UNL     1       4.925   4.440  -0.587  1.00  0.00           H  
CONECT    1    9    2   11   33                                       
CONECT    2    1    4    3   34                                       
CONECT    3    2   35                                                 
CONECT    4    2    6    5   36                                       
CONECT    5    4   37                                                 
CONECT    6    4    7    8   38                                       
CONECT    7    6   39                                                 
CONECT    8    6   10    9   40                                       
CONECT    9    1    8                                                 
CONECT   10    8   31   31   32                                       
CONECT   11    1   13                                                 
CONECT   12   13   13   17   41                                       
CONECT   13   11   12   12   14                                       
CONECT   14   13   15   15   42                                       
CONECT   15   14   14   29   16                                       
CONECT   16   15   17   17   18                                       
CONECT   17   12   16   16   21                                       
CONECT   18   16   28   28   19                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   43                                       
CONECT   21   17   20                                                 
CONECT   22   19   27   27   23                                       
CONECT   23   22   24   24   44                                       
CONECT   24   23   23   25   45                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   46                                       
CONECT   27   22   22   26   47                                       
CONECT   28   18   18                                                 
CONECT   29   15   48                                                 
CONECT   30   25   49                                                 
CONECT   31   10   10                                                 
CONECT   32   10   50                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
