COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.246   0.919   0.083  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.199   0.828   0.013  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.307  -0.217   0.161  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.778  -0.587   0.140  1.00  0.00           C  
HETATM    5  N   UNL     1       0.105   0.182   0.175  1.00  0.00           N  
HETATM    6  N   UNL     1       3.530   2.480  -0.116  1.00  0.00           N  
HETATM    7  O   UNL     1       4.814   0.690   0.240  1.00  0.00           O  
HETATM    8  C   UNL     1       3.455  -1.730  -0.237  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.830   1.466   0.992  1.00  0.00           O  
HETATM   10  N   UNL     1       2.616  -1.008   0.464  1.00  0.00           N  
HETATM   11  C   UNL     1       4.618  -3.919  -0.725  1.00  0.00           C  
HETATM   12  C   UNL     1       3.653  -3.089   0.081  1.00  0.00           C  
HETATM   13  C   UNL     1       2.301   3.004  -0.253  1.00  0.00           C  
HETATM   14  C   UNL     1       3.698   1.163   0.120  1.00  0.00           C  
HETATM   15  C   UNL     1       2.506   0.309   0.231  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.670   0.458  -0.008  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.141   0.087  -0.029  1.00  0.00           C  
HETATM   18  N   UNL     1       1.187   2.262  -0.159  1.00  0.00           N  
HETATM   19  O   UNL     1      -2.148  -1.225  -0.839  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.619  -1.595  -0.860  1.00  0.00           O  
HETATM   21  O   UNL     1      -7.178  -0.863   0.224  1.00  0.00           O  
HETATM   22  O   UNL     1       2.194   4.196  -0.465  1.00  0.00           O  
HETATM   23  H   UNL     1      -1.259   1.283  -0.975  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.321   1.597   0.776  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.248  -0.673   1.149  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.719  -1.043   1.128  1.00  0.00           H  
HETATM   27  H   UNL     1       0.157  -0.771   0.347  1.00  0.00           H  
HETATM   28  H   UNL     1       4.307   3.056  -0.192  1.00  0.00           H  
HETATM   29  H   UNL     1       3.995  -1.283  -1.059  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.787   1.131   1.898  1.00  0.00           H  
HETATM   31  H   UNL     1       5.615  -3.485  -0.657  1.00  0.00           H  
HETATM   32  H   UNL     1       4.637  -4.936  -0.334  1.00  0.00           H  
HETATM   33  H   UNL     1       4.299  -3.937  -1.767  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.730   0.913  -0.997  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.227   0.915   0.675  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.236   0.466  -1.047  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.190  -0.891  -1.745  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.661  -1.261  -1.767  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.071  -0.504   0.134  1.00  0.00           H  
HETATM   40  O   UNL     1       3.045  -3.591   1.006  1.00  0.00           O  
HETATM   41  H   UNL     1       0.322   2.688  -0.266  1.00  0.00           H  
CONECT    1   15   15    5   18                                       
CONECT    2    5    3   23   24                                       
CONECT    3   19   16    2   25                                       
CONECT    4   20   16   17   26                                       
CONECT    5    1    2   27                                            
CONECT    6   14   13   28                                            
CONECT    7   14   14                                                 
CONECT    8   12   10   10   29                                       
CONECT    9   16   30                                                 
CONECT   10    8    8   15                                            
CONECT   11   12   31   32   33                                       
CONECT   12    8   11   40   40                                       
CONECT   13    6   18   22   22                                       
CONECT   14    7    7   15    6                                       
CONECT   15   14   10    1    1                                       
CONECT   16    4    3    9   34                                       
CONECT   17    4   21   35   36                                       
CONECT   18    1   13   41                                            
CONECT   19    3   37                                                 
CONECT   20    4   38                                                 
CONECT   21   17   39                                                 
CONECT   22   13   13                                                 
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   12   12                                                 
CONECT   41   18                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
