COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.282  -0.785   0.017  1.00  0.00           O  
HETATM    2  C   UNL     1       1.346   0.420   0.138  1.00  0.00           C  
HETATM    3  C   UNL     1       2.665   1.126  -0.046  1.00  0.00           C  
HETATM    4  C   UNL     1       2.548   2.134  -1.192  1.00  0.00           C  
HETATM    5  O   UNL     1       3.679   0.169  -0.356  1.00  0.00           O  
HETATM    6  C   UNL     1       4.960   0.508  -0.057  1.00  0.00           C  
HETATM    7  C   UNL     1       5.247   1.757   0.416  1.00  0.00           C  
HETATM    8  C   UNL     1       6.555   2.121   0.726  1.00  0.00           C  
HETATM    9  C   UNL     1       7.584   1.244   0.569  1.00  0.00           C  
HETATM   10  C   UNL     1       6.001  -0.428  -0.228  1.00  0.00           C  
HETATM   11  C   UNL     1       5.746  -1.722  -0.706  1.00  0.00           C  
HETATM   12  C   UNL     1       6.776  -2.600  -0.857  1.00  0.00           C  
HETATM   13  C   UNL     1       8.083  -2.232  -0.545  1.00  0.00           C  
HETATM   14  C   UNL     1       8.367  -0.985  -0.079  1.00  0.00           C  
HETATM   15  C   UNL     1       7.330  -0.051   0.085  1.00  0.00           C  
HETATM   16  N   UNL     1       0.238   1.128   0.433  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.005   0.486   0.504  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.089  -0.808   1.015  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.306  -1.451   1.090  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.457  -0.810   0.656  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.380   0.495   0.141  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143   1.141   0.073  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.760  -1.165   0.602  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.453  -0.135   0.081  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.644   0.855  -0.197  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.915  -0.125  -0.145  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.701  -1.234   0.185  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.061  -1.181  -0.043  1.00  0.00           C  
HETATM   29  N   UNL     1      -9.620  -0.106  -0.563  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.916   0.961  -0.888  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.551   0.997  -0.689  1.00  0.00           C  
HETATM   32  H   UNL     1       2.928   1.650   0.873  1.00  0.00           H  
HETATM   33  H   UNL     1       2.284   1.610  -2.111  1.00  0.00           H  
HETATM   34  H   UNL     1       1.774   2.864  -0.956  1.00  0.00           H  
HETATM   35  H   UNL     1       3.501   2.644  -1.326  1.00  0.00           H  
HETATM   36  H   UNL     1       4.450   2.473   0.550  1.00  0.00           H  
HETATM   37  H   UNL     1       6.756   3.115   1.098  1.00  0.00           H  
HETATM   38  H   UNL     1       8.593   1.543   0.814  1.00  0.00           H  
HETATM   39  H   UNL     1       4.737  -2.022  -0.951  1.00  0.00           H  
HETATM   40  H   UNL     1       6.577  -3.596  -1.225  1.00  0.00           H  
HETATM   41  H   UNL     1       8.882  -2.947  -0.674  1.00  0.00           H  
HETATM   42  H   UNL     1       9.385  -0.714   0.160  1.00  0.00           H  
HETATM   43  H   UNL     1       0.301   2.082   0.596  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.195  -1.310   1.354  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.363  -2.454   1.486  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.076   2.145  -0.318  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.251  -2.119   0.611  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.677  -2.033   0.208  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.415   1.820  -1.312  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.980   1.874  -0.957  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   16    3    1    1                                       
CONECT    3    4    2    5   32                                       
CONECT    4    3   33   34   35                                       
CONECT    5    3    6                                                 
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   36                                       
CONECT    8    7    9    9   37                                       
CONECT    9    8    8   15   38                                       
CONECT   10    6   11   11   15                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14   15   15   13   42                                       
CONECT   15   10    9   14   14                                       
CONECT   16   17    2   43                                            
CONECT   17   18   16   22   22                                       
CONECT   18   19   19   17   44                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   23   21   21                                       
CONECT   21   20   20   22   25                                       
CONECT   22   17   17   21   46                                       
CONECT   23   20   24                                                 
CONECT   24   23   26   25   25                                       
CONECT   25   21   24   24                                            
CONECT   26   31   24   27   27                                       
CONECT   27   26   26   28   47                                       
CONECT   28   29   29   27   48                                       
CONECT   29   30   28   28                                            
CONECT   30   31   31   29   49                                       
CONECT   31   30   30   26   50                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
