COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.559  -2.526  -0.390  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.647   0.239  -0.081  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.822  -0.480  -0.176  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.396   2.115   0.083  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.358  -4.574   0.093  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.048  -3.830   0.105  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.063  -4.344   0.593  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.969  -2.593  -0.425  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.781  -1.867  -0.330  1.00  0.00           C  
HETATM   10  C   UNL     1       0.616  -1.812  -0.296  1.00  0.00           C  
HETATM   11  C   UNL     1       0.581  -0.425  -0.141  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.020   0.162  -0.119  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.987   1.582   0.040  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.057   2.227   1.292  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.347   2.721   1.331  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.976   3.104   0.162  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.315   2.993  -1.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.025   2.498  -1.087  1.00  0.00           C  
HETATM   19  C   UNL     1       1.840   0.340  -0.041  1.00  0.00           C  
HETATM   20  O   UNL     1       1.808   1.548   0.094  1.00  0.00           O  
HETATM   21  N   UNL     1       3.024  -0.301  -0.099  1.00  0.00           N  
HETATM   22  C   UNL     1       4.273   0.458   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.462  -0.501  -0.094  1.00  0.00           C  
HETATM   24  C   UNL     1       6.747   0.280   0.008  1.00  0.00           C  
HETATM   25  C   UNL     1       7.738   0.060   0.893  1.00  0.00           C  
HETATM   26  N   UNL     1       8.710   0.989   0.637  1.00  0.00           N  
HETATM   27  C   UNL     1       8.279   1.744  -0.396  1.00  0.00           C  
HETATM   28  N   UNL     1       7.106   1.311  -0.770  1.00  0.00           N  
HETATM   29  H   UNL     1      -0.530  -3.599  -0.505  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.678   1.312   0.038  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.691  -4.707  -0.936  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.227  -5.549   0.562  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.105  -4.003   0.645  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.739  -2.208  -0.873  1.00  0.00           H  
HETATM   35  H   UNL     1       1.565  -2.327  -0.343  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.454   2.029  -0.799  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.476   1.831   0.970  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.565   1.927   2.205  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.863   2.807   2.276  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.984   3.490   0.192  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.807   3.293  -1.961  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.509   2.411  -2.032  1.00  0.00           H  
HETATM   43  H   UNL     1       3.049  -1.265  -0.207  1.00  0.00           H  
HETATM   44  H   UNL     1       4.325   1.181  -0.814  1.00  0.00           H  
HETATM   45  H   UNL     1       4.305   0.983   0.955  1.00  0.00           H  
HETATM   46  H   UNL     1       5.410  -1.224   0.720  1.00  0.00           H  
HETATM   47  H   UNL     1       5.430  -1.026  -1.049  1.00  0.00           H  
HETATM   48  H   UNL     1       7.761  -0.702   1.658  1.00  0.00           H  
HETATM   49  H   UNL     1       9.552   1.086   1.110  1.00  0.00           H  
HETATM   50  H   UNL     1       8.817   2.568  -0.841  1.00  0.00           H  
CONECT    1    9    9   10   29                                       
CONECT    2    3    3   11   30                                       
CONECT    3    9   12    2    2                                       
CONECT    4   13   14   14   18                                       
CONECT    5    6   31   32   33                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   34                                            
CONECT    9    8    1    1    3                                       
CONECT   10    1   11   11   35                                       
CONECT   11   10   10    2   19                                       
CONECT   12    3   13                                                 
CONECT   13   12    4   36   37                                       
CONECT   14    4    4   15   38                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   18   18   16   41                                       
CONECT   18    4   17   17   42                                       
CONECT   19   11   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   43                                            
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   28   25   25                                       
CONECT   25   24   24   26   48                                       
CONECT   26   27   25   49                                            
CONECT   27   28   28   26   50                                       
CONECT   28   24   27   27                                            
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
