COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.580  -0.094  -0.020  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.214  -0.204   0.007  1.00  0.00           C  
HETATM    3  C   UNL     1       5.280  -1.440  -0.016  1.00  0.00           C  
HETATM    4  C   UNL     1       3.961  -1.888  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       0.464  -0.966   0.015  1.00  0.00           C  
HETATM    6  C   UNL     1       4.471   2.310  -0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       2.353   1.574   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1       0.997   1.580   0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       0.119   0.391   0.011  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.535  -1.925   0.015  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.866  -1.547   0.011  1.00  0.00           C  
HETATM   12  N   UNL     1       3.176   2.689   0.003  1.00  0.00           N  
HETATM   13  N   UNL     1      -6.925  -1.107  -0.004  1.00  0.00           N  
HETATM   14  C   UNL     1       4.547   0.845  -0.010  1.00  0.00           C  
HETATM   15  C   UNL     1       2.918  -0.970   0.006  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.226   0.767   0.008  1.00  0.00           C  
HETATM   17  C   UNL     1       2.707   4.077   0.013  1.00  0.00           C  
HETATM   18  C   UNL     1       4.816  -4.106  -0.010  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.489  -0.895   0.003  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.877  -0.306  -0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       3.219   0.384  -0.004  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.156  -0.636  -0.008  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.393   0.726  -0.012  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.316   1.599  -0.012  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.036   1.067  -0.007  1.00  0.00           C  
HETATM   26  O   UNL     1       1.692  -1.557   0.018  1.00  0.00           O  
HETATM   27  O   UNL     1       5.426   3.065  -0.005  1.00  0.00           O  
HETATM   28  O   UNL     1       3.695  -3.221   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.524   0.159   0.003  1.00  0.00           O  
HETATM   30  H   UNL     1       6.610   0.233  -0.026  1.00  0.00           H  
HETATM   31  H   UNL     1       6.084  -2.161  -0.024  1.00  0.00           H  
HETATM   32  H   UNL     1       0.513   2.546   0.008  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.274  -2.973   0.018  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.639  -2.302   0.010  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.496   1.813   0.005  1.00  0.00           H  
HETATM   36  H   UNL     1       3.565   4.750   0.013  1.00  0.00           H  
HETATM   37  H   UNL     1       2.100   4.262  -0.873  1.00  0.00           H  
HETATM   38  H   UNL     1       2.108   4.252   0.906  1.00  0.00           H  
HETATM   39  H   UNL     1       5.428  -3.928   0.874  1.00  0.00           H  
HETATM   40  H   UNL     1       4.464  -5.138  -0.005  1.00  0.00           H  
HETATM   41  H   UNL     1       5.411  -3.929  -0.906  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.358  -1.508   0.895  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.353  -1.512  -0.885  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.990  -1.323  -0.009  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.404   1.105  -0.017  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.471   2.668  -0.015  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.173   1.717  -0.006  1.00  0.00           H  
CONECT    1    3   14   14   30                                       
CONECT    2   11   11   16   29                                       
CONECT    3    4    4    1   31                                       
CONECT    4   28    3    3   15                                       
CONECT    5   26   10   10    9                                       
CONECT    6   14   27   27   12                                       
CONECT    7   21   12    8    8                                       
CONECT    8    7    7    9   32                                       
CONECT    9    5    8   16   16                                       
CONECT   10    5    5   11   33                                       
CONECT   11   10    2    2   34                                       
CONECT   12    6    7   17                                            
CONECT   13   22   22   20                                            
CONECT   14    1    1   21    6                                       
CONECT   15    4   26   21   21                                       
CONECT   16    9    9    2   35                                       
CONECT   17   12   36   37   38                                       
CONECT   18   28   39   40   41                                       
CONECT   19   20   29   42   43                                       
CONECT   20   13   19   25   25                                       
CONECT   21   15   15   14    7                                       
CONECT   22   13   13   23   44                                       
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25   46                                       
CONECT   25   20   20   24   47                                       
CONECT   26   15    5                                                 
CONECT   27    6    6                                                 
CONECT   28   18    4                                                 
CONECT   29    2   19                                                 
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
