COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.295  -0.194  -0.002  1.00  0.00           O  
HETATM    2  C   UNL     1       7.588   2.401  -0.007  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.552   2.368   0.006  1.00  0.00           C  
HETATM    4  C   UNL     1       0.367   1.086   0.005  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.382  -0.107   0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       1.798  -0.671   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       1.777   0.676   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       4.139   1.012  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       6.562   1.266  -0.006  1.00  0.00           C  
HETATM   10  N   UNL     1       5.210   1.830  -0.002  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.362   1.229  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.769  -0.034  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.822   2.694   0.012  1.00  0.00           C  
HETATM   14  N   UNL     1       2.895   1.531   0.002  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.559   1.523  -0.007  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.652   0.229  -0.014  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.840   1.361  -0.007  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.242   2.268   0.006  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.440   2.624   0.012  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.964   0.346  -0.018  1.00  0.00           N  
HETATM   21  N   UNL     1       0.513  -1.157   0.004  1.00  0.00           N  
HETATM   22  C   UNL     1       0.166  -2.508   0.004  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.111  -2.857   0.006  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.482  -4.123   0.005  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.544  -5.136   0.003  1.00  0.00           C  
HETATM   26  C   UNL     1       0.806  -4.812   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.164  -3.476  -0.005  1.00  0.00           C  
HETATM   28  H   UNL     1       7.449   3.016  -0.896  1.00  0.00           H  
HETATM   29  H   UNL     1       7.452   3.014   0.884  1.00  0.00           H  
HETATM   30  H   UNL     1       8.594   1.982  -0.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.010   3.345   0.007  1.00  0.00           H  
HETATM   32  H   UNL     1       2.692  -1.278   0.000  1.00  0.00           H  
HETATM   33  H   UNL     1       6.698   0.653  -0.897  1.00  0.00           H  
HETATM   34  H   UNL     1       6.702   0.651   0.883  1.00  0.00           H  
HETATM   35  H   UNL     1       5.086   2.792  -0.001  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.372  -0.930  -0.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.320   3.652   0.022  1.00  0.00           H  
HETATM   38  H   UNL     1       2.771   2.492   0.004  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.637   1.574  -0.011  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.202  -0.752  -0.024  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.840   3.522   0.026  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.534  -4.370   0.007  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.858  -6.170   0.003  1.00  0.00           H  
HETATM   44  H   UNL     1       1.559  -5.586  -0.002  1.00  0.00           H  
HETATM   45  H   UNL     1       2.205  -3.189  -0.007  1.00  0.00           H  
CONECT    1    8    8                                                 
CONECT    2    9   28   29   30                                       
CONECT    3   11   11   18   31                                       
CONECT    4    5    7   18   18                                       
CONECT    5   21   12   12    4                                       
CONECT    6   21    7    7   32                                       
CONECT    7    6    6   14    4                                       
CONECT    8    1    1   10   14                                       
CONECT    9    2   10   33   34                                       
CONECT   10    9    8   35                                            
CONECT   11   12   17    3    3                                       
CONECT   12    5    5   11   36                                       
CONECT   13   19   19   15   37                                       
CONECT   14    8    7   38                                            
CONECT   15   20   20   13   39                                       
CONECT   16   17   17   20   40                                       
CONECT   17   11   16   16   19                                       
CONECT   18    4    4    3                                            
CONECT   19   17   13   13   41                                       
CONECT   20   16   15   15                                            
CONECT   21   22    6    5                                            
CONECT   22   23   23   27   21                                       
CONECT   23   24   22   22                                            
CONECT   24   25   25   23   42                                       
CONECT   25   24   24   26   43                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26   22   45                                       
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
