COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.312   0.095   0.137  1.00  0.00           C  
HETATM    2  N   UNL     1       7.365  -0.215  -1.139  1.00  0.00           N  
HETATM    3  O   UNL     1       0.808  -0.845  -1.166  1.00  0.00           O  
HETATM    4  C   UNL     1       4.502   0.096  -1.000  1.00  0.00           C  
HETATM    5  N   UNL     1       7.626  -0.079   1.079  1.00  0.00           N  
HETATM    6  C   UNL     1       3.139   0.249  -0.872  1.00  0.00           C  
HETATM    7  N   UNL     1       1.189   0.556   0.514  1.00  0.00           N  
HETATM    8  C   UNL     1       2.570   0.402   0.388  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.775   2.121   0.008  1.00  0.00           N  
HETATM   10  C   UNL     1       3.375   0.401   1.522  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.221  -0.059  -0.221  1.00  0.00           N  
HETATM   12  C   UNL     1       4.738   0.243   1.400  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.677  -3.600   0.832  1.00  0.00           N  
HETATM   14  C   UNL     1       0.360  -0.069  -0.345  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.824   0.672  -0.181  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.310  -0.218  -1.124  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.954  -0.459  -1.178  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.095   0.189  -0.288  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.610   1.080   0.655  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.966   1.319   0.708  1.00  0.00           C  
HETATM   21  C   UNL     1       6.776  -0.069   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1       8.815  -0.353  -0.946  1.00  0.00           C  
HETATM   23  C   UNL     1       9.000  -0.260   0.581  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.281   0.935  -0.128  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.243   2.058   0.025  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.555   0.557  -0.132  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.944  -1.489  -0.380  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.954  -2.166   0.992  1.00  0.00           C  
HETATM   29  H   UNL     1       4.943  -0.022  -1.979  1.00  0.00           H  
HETATM   30  H   UNL     1       7.367   0.017   2.008  1.00  0.00           H  
HETATM   31  H   UNL     1       2.511   0.250  -1.751  1.00  0.00           H  
HETATM   32  H   UNL     1       0.826   1.113   1.220  1.00  0.00           H  
HETATM   33  H   UNL     1       2.931   0.520   2.499  1.00  0.00           H  
HETATM   34  H   UNL     1       5.363   0.242   2.281  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.805  -3.748   0.347  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.678  -4.070   1.724  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.975  -0.719  -1.812  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.557  -1.148  -1.908  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.946   1.581   1.344  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.364   2.009   1.438  1.00  0.00           H  
HETATM   41  H   UNL     1       9.159  -1.319  -1.315  1.00  0.00           H  
HETATM   42  H   UNL     1       9.346   0.458  -1.445  1.00  0.00           H  
HETATM   43  H   UNL     1       9.620   0.599   0.842  1.00  0.00           H  
HETATM   44  H   UNL     1       9.433  -1.180   0.973  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.630   2.431   0.974  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.659   2.626  -0.806  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.124   0.376  -1.045  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.094   0.183   0.738  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.709  -1.938  -1.013  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.966  -1.620  -0.843  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.932  -2.035   1.455  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.189  -1.717   1.625  1.00  0.00           H  
CONECT    1   12   12    4   21                                       
CONECT    2   21   21   22                                            
CONECT    3   14   14                                                 
CONECT    4    6    6    1   29                                       
CONECT    5   21   23   30                                            
CONECT    6    8    4    4   31                                       
CONECT    7   14    8   32                                            
CONECT    8    7   10   10    6                                       
CONECT    9   25   24   24                                            
CONECT   10    8    8   12   33                                       
CONECT   11   26   27   24                                            
CONECT   12   10    1    1   34                                       
CONECT   13   28   35   36                                            
CONECT   14   18    7    3    3                                       
CONECT   15   24   16   16   20                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   19   14                                       
CONECT   19   20   20   18   39                                       
CONECT   20   15   19   19   40                                       
CONECT   21    1    2    2    5                                       
CONECT   22    2   23   41   42                                       
CONECT   23   22    5   43   44                                       
CONECT   24   11    9    9   15                                       
CONECT   25   26    9   45   46                                       
CONECT   26   25   11   47   48                                       
CONECT   27   11   28   49   50                                       
CONECT   28   27   13   51   52                                       
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
