COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.740  -0.788  -1.034  1.00  0.00           C  
HETATM    2  C   UNL     1       8.603  -1.815  -0.913  1.00  0.00           C  
HETATM    3  N   UNL     1       8.060  -2.722  -0.086  1.00  0.00           N  
HETATM    4  C   UNL     1       6.892  -2.299   0.313  1.00  0.00           C  
HETATM    5  N   UNL     1       6.652  -1.090  -0.258  1.00  0.00           N  
HETATM    6  C   UNL     1       5.508  -0.297  -0.081  1.00  0.00           C  
HETATM    7  C   UNL     1       5.401   0.924  -0.733  1.00  0.00           C  
HETATM    8  C   UNL     1       4.273   1.702  -0.557  1.00  0.00           C  
HETATM    9  C   UNL     1       4.479  -0.735   0.741  1.00  0.00           C  
HETATM   10  C   UNL     1       3.354   0.048   0.913  1.00  0.00           C  
HETATM   11  C   UNL     1       3.253   1.266   0.267  1.00  0.00           C  
HETATM   12  C   UNL     1       2.024   2.118   0.457  1.00  0.00           C  
HETATM   13  C   UNL     1       2.130   2.878   1.781  1.00  0.00           C  
HETATM   14  N   UNL     1       0.835   1.262   0.479  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.366   1.768   0.135  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.463   2.932  -0.191  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.589   0.888   0.158  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.811   1.702  -0.271  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.034   0.822  -0.249  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.894  -0.419   0.106  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.949  -1.270   0.151  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.798  -2.605   0.532  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.897  -3.433   0.562  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.156  -2.959   0.218  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.330  -1.646  -0.162  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.231  -0.791  -0.199  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.355   0.620  -0.597  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.431   1.095  -0.910  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.228   1.369  -0.596  1.00  0.00           N  
HETATM   30  H   UNL     1       7.882   0.104  -1.626  1.00  0.00           H  
HETATM   31  H   UNL     1       9.564  -1.896  -1.398  1.00  0.00           H  
HETATM   32  H   UNL     1       6.227  -2.823   0.984  1.00  0.00           H  
HETATM   33  H   UNL     1       6.199   1.265  -1.376  1.00  0.00           H  
HETATM   34  H   UNL     1       4.190   2.652  -1.064  1.00  0.00           H  
HETATM   35  H   UNL     1       4.557  -1.687   1.245  1.00  0.00           H  
HETATM   36  H   UNL     1       2.552  -0.293   1.552  1.00  0.00           H  
HETATM   37  H   UNL     1       1.944   2.829  -0.365  1.00  0.00           H  
HETATM   38  H   UNL     1       1.241   3.494   1.918  1.00  0.00           H  
HETATM   39  H   UNL     1       2.209   2.166   2.603  1.00  0.00           H  
HETATM   40  H   UNL     1       3.014   3.514   1.765  1.00  0.00           H  
HETATM   41  H   UNL     1       0.912   0.331   0.740  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.449   0.054  -0.529  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.743   0.506   1.167  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.952   2.537   0.416  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.657   2.085  -1.280  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.824  -2.985   0.802  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.779  -4.466   0.857  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.006  -3.625   0.248  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.311  -1.283  -0.430  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.273   2.303  -0.853  1.00  0.00           H  
CONECT    1    2    2    5   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   32                                       
CONECT    5    1    4    6                                            
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   33                                       
CONECT    8    7   11   11   34                                       
CONECT    9    6   10   10   35                                       
CONECT   10    9    9   11   36                                       
CONECT   11    8    8   10   12                                       
CONECT   12   11   14   13   37                                       
CONECT   13   12   38   39   40                                       
CONECT   14   15   12   41                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   42   43                                       
CONECT   18   19   17   44   45                                       
CONECT   19   29   20   20   18                                       
CONECT   20   21   19   19                                            
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   46                                       
CONECT   23   24   22   22   47                                       
CONECT   24   25   25   23   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   21   21                                       
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   19   50                                            
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
