COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.002   1.040   0.151  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.499   2.299  -0.167  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.856   2.485  -0.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.729   1.409  -0.132  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.222   0.145   0.186  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.865  -0.036   0.320  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.184   1.605  -0.283  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.624   2.704  -0.559  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.025   0.566  -0.113  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.469   0.761  -0.262  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.191  -0.567  -0.020  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.699  -0.363  -0.176  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.410  -1.670   0.063  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.775  -2.663   0.330  1.00  0.00           O  
HETATM   15  O   UNL     1     -10.748  -1.732  -0.022  1.00  0.00           O  
HETATM   16  N   UNL     1       1.373   0.855   0.293  1.00  0.00           N  
HETATM   17  N   UNL     1       7.517  -0.204   1.007  1.00  0.00           N  
HETATM   18  C   UNL     1       8.267  -0.417  -0.045  1.00  0.00           C  
HETATM   19  N   UNL     1       7.758  -0.705  -1.278  1.00  0.00           N  
HETATM   20  C   UNL     1       6.421  -0.795  -1.465  1.00  0.00           C  
HETATM   21  C   UNL     1       4.165  -0.626  -0.393  1.00  0.00           C  
HETATM   22  C   UNL     1       3.405  -0.400   0.722  1.00  0.00           C  
HETATM   23  C   UNL     1       4.004  -0.107   1.940  1.00  0.00           C  
HETATM   24  C   UNL     1       5.363  -0.037   2.057  1.00  0.00           C  
HETATM   25  C   UNL     1       5.554  -0.561  -0.302  1.00  0.00           C  
HETATM   26  C   UNL     1       6.166  -0.263   0.936  1.00  0.00           C  
HETATM   27  O   UNL     1       5.953  -1.056  -2.558  1.00  0.00           O  
HETATM   28  N   UNL     1       9.630  -0.341   0.097  1.00  0.00           N  
HETATM   29  C   UNL     1       1.903  -0.469   0.626  1.00  0.00           C  
HETATM   30  H   UNL     1       0.176   3.131  -0.302  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.244   3.463  -0.554  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.895  -0.688   0.323  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.472  -1.011   0.566  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.674  -0.311   0.108  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.813   1.499   0.462  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.686   1.113  -1.271  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.847  -1.305  -0.745  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.974  -0.919   0.988  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.043   0.375   0.549  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.916  -0.011  -1.184  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.204  -2.571   0.132  1.00  0.00           H  
HETATM   42  H   UNL     1       1.979   1.603   0.171  1.00  0.00           H  
HETATM   43  H   UNL     1       8.359  -0.853  -2.024  1.00  0.00           H  
HETATM   44  H   UNL     1       3.691  -0.853  -1.337  1.00  0.00           H  
HETATM   45  H   UNL     1       3.385   0.068   2.808  1.00  0.00           H  
HETATM   46  H   UNL     1       5.815   0.192   3.012  1.00  0.00           H  
HETATM   47  H   UNL     1      10.016  -0.133   0.963  1.00  0.00           H  
HETATM   48  H   UNL     1      10.207  -0.498  -0.666  1.00  0.00           H  
HETATM   49  H   UNL     1       1.620  -1.180  -0.150  1.00  0.00           H  
HETATM   50  H   UNL     1       1.493  -0.794   1.583  1.00  0.00           H  
CONECT    1    2    2    6   16                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5   33                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   34                                            
CONECT   10    9   11   35   36                                       
CONECT   11   10   12   37   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   41                                                 
CONECT   16    1   29   42                                            
CONECT   17   18   18   26                                            
CONECT   18   17   17   19   28                                       
CONECT   19   18   20   43                                            
CONECT   20   19   25   27   27                                       
CONECT   21   22   22   25   44                                       
CONECT   22   21   21   23   29                                       
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   26   46                                       
CONECT   25   20   21   26   26                                       
CONECT   26   17   24   25   25                                       
CONECT   27   20   20                                                 
CONECT   28   18   47   48                                            
CONECT   29   16   22   49   50                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
