COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.570   0.166   0.113  1.00  0.00           C  
HETATM    2  C   UNL     1       5.704  -0.437  -0.280  1.00  0.00           C  
HETATM    3  C   UNL     1       7.006   0.206  -0.028  1.00  0.00           C  
HETATM    4  C   UNL     1       8.201  -0.406  -0.430  1.00  0.00           C  
HETATM    5  C   UNL     1       7.083   1.448   0.616  1.00  0.00           C  
HETATM    6  C   UNL     1       8.323   2.010   0.837  1.00  0.00           C  
HETATM    7  N   UNL     1       9.424   1.399   0.441  1.00  0.00           N  
HETATM    8  C   UNL     1       9.396   0.232  -0.174  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.106   1.767  -0.951  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.165   1.150   0.279  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.124   0.322   0.687  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.020   0.132  -0.164  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.984   0.763  -1.409  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.017   1.573  -1.789  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.892  -0.417   1.825  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.692  -1.066   1.721  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.117  -0.779   0.542  1.00  0.00           C  
HETATM   18  C   UNL     1       0.900  -1.734  -0.645  1.00  0.00           C  
HETATM   19  N   UNL     1       2.038  -2.289  -1.014  1.00  0.00           N  
HETATM   20  C   UNL     1       3.200  -1.713  -0.788  1.00  0.00           C  
HETATM   21  C   UNL     1       3.268  -0.477  -0.140  1.00  0.00           C  
HETATM   22  C   UNL     1       2.078   0.144   0.260  1.00  0.00           C  
HETATM   23  C   UNL     1       0.879  -0.506   0.004  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.301   0.054   0.378  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.333  -0.847  -0.029  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.696  -0.273   0.365  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.791  -1.292   0.043  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.942   0.964  -0.387  1.00  0.00           N  
HETATM   29  H   UNL     1       4.613   1.121   0.615  1.00  0.00           H  
HETATM   30  H   UNL     1       5.662  -1.392  -0.782  1.00  0.00           H  
HETATM   31  H   UNL     1       8.186  -1.361  -0.933  1.00  0.00           H  
HETATM   32  H   UNL     1       6.186   1.954   0.943  1.00  0.00           H  
HETATM   33  H   UNL     1       8.394   2.965   1.337  1.00  0.00           H  
HETATM   34  H   UNL     1      10.323  -0.231  -0.480  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.915   2.409  -1.266  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.017   1.307   0.924  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.140   0.616  -2.066  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.986   2.064  -2.751  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.489  -0.470   2.587  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.269  -1.714   2.475  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.030  -2.242  -0.851  1.00  0.00           H  
HETATM   42  H   UNL     1       4.110  -2.201  -1.106  1.00  0.00           H  
HETATM   43  H   UNL     1       2.093   1.100   0.764  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.189  -1.810   0.462  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.294  -0.981  -1.110  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.704  -0.057   1.434  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.842  -1.442  -1.035  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.561  -2.239   0.531  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.925   0.717  -1.365  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.886   1.249  -0.176  1.00  0.00           H  
CONECT    1    2    2   21   29                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    8   31                                       
CONECT    5    3    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8                                            
CONECT    8    4    7    7   34                                       
CONECT    9   10   10   14   35                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   15                                       
CONECT   12   11   11   13   17                                       
CONECT   13   12   14   14   37                                       
CONECT   14    9   13   13   38                                       
CONECT   15   11   16   39                                            
CONECT   16   15   17   17   40                                       
CONECT   17   12   16   16   27                                       
CONECT   18   19   23   23   41                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   42                                       
CONECT   21    1   20   22   22                                       
CONECT   22   21   21   23   43                                       
CONECT   23   18   18   22   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   44   45                                       
CONECT   26   25   27   28   46                                       
CONECT   27   17   26   47   48                                       
CONECT   28   26   49   50                                            
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
