COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.723   0.032   0.680  1.00  0.00           C  
HETATM    2  C   UNL     1       5.657  -0.685  -0.301  1.00  0.00           C  
HETATM    3  O   UNL     1       5.510  -2.099  -0.144  1.00  0.00           O  
HETATM    4  C   UNL     1       4.201  -2.588  -0.446  1.00  0.00           C  
HETATM    5  C   UNL     1       3.193  -1.968   0.528  1.00  0.00           C  
HETATM    6  N   UNL     1       3.365  -0.506   0.507  1.00  0.00           N  
HETATM    7  C   UNL     1       2.279   0.339   0.329  1.00  0.00           C  
HETATM    8  C   UNL     1       1.027  -0.179   0.038  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.048   0.695  -0.135  1.00  0.00           C  
HETATM   10  C   UNL     1       2.433   1.734   0.447  1.00  0.00           C  
HETATM   11  C   UNL     1       1.372   2.549   0.273  1.00  0.00           C  
HETATM   12  N   UNL     1       0.138   2.045  -0.019  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.078   2.677  -0.235  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.299   4.061  -0.201  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.377   4.819   0.034  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.679   4.610  -0.456  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.041   1.707  -0.491  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.413   0.464  -0.432  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.050  -0.846  -0.641  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.851  -1.382   0.338  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.227  -0.935   1.578  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.033  -1.876   2.114  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.159  -2.879   1.240  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.450  -2.602   0.153  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.242  -3.309  -1.046  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.446  -2.776  -2.017  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.847  -1.530  -1.820  1.00  0.00           C  
HETATM   28  H   UNL     1       5.060  -0.143   1.702  1.00  0.00           H  
HETATM   29  H   UNL     1       4.724   1.102   0.472  1.00  0.00           H  
HETATM   30  H   UNL     1       5.398  -0.404  -1.322  1.00  0.00           H  
HETATM   31  H   UNL     1       6.689  -0.401  -0.096  1.00  0.00           H  
HETATM   32  H   UNL     1       3.936  -2.313  -1.467  1.00  0.00           H  
HETATM   33  H   UNL     1       4.186  -3.673  -0.345  1.00  0.00           H  
HETATM   34  H   UNL     1       2.179  -2.222   0.219  1.00  0.00           H  
HETATM   35  H   UNL     1       3.375  -2.344   1.535  1.00  0.00           H  
HETATM   36  H   UNL     1       0.884  -1.246  -0.053  1.00  0.00           H  
HETATM   37  H   UNL     1       3.402   2.152   0.677  1.00  0.00           H  
HETATM   38  H   UNL     1       1.501   3.617   0.366  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.221   4.685   0.487  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.599   5.599  -0.908  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.216   3.944  -1.132  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.086   1.885  -0.698  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.932  -0.004   2.040  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.498  -1.827   3.087  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.711  -4.270  -1.197  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.284  -3.315  -2.939  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.216  -1.106  -2.588  1.00  0.00           H  
CONECT    1    6    2   28   29                                       
CONECT    2    3    1   30   31                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   32   33                                       
CONECT    5    6    4   34   35                                       
CONECT    6    5    7    1                                            
CONECT    7    8    8    6   10                                       
CONECT    8    9    7    7   36                                       
CONECT    9   18   18    8   12                                       
CONECT   10    7   11   11   37                                       
CONECT   11   12   10   10   38                                       
CONECT   12   13    9   11                                            
CONECT   13   17   17   14   12                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   39   40   41                                       
CONECT   17   18   13   13   42                                       
CONECT   18   19   17    9    9                                       
CONECT   19   20   27   27   18                                       
CONECT   20   24   21   19                                            
CONECT   21   22   22   20   43                                       
CONECT   22   23   21   21   44                                       
CONECT   23   24   24   22                                            
CONECT   24   23   23   25   20                                       
CONECT   25   24   26   26   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   26   19   19   47                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
