COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.507  -1.954   0.387  1.00  0.00           C  
HETATM    2  N   UNL     1       4.500   1.101   0.839  1.00  0.00           N  
HETATM    3  C   UNL     1       3.401   1.390   1.511  1.00  0.00           C  
HETATM    4  N   UNL     1       2.265   0.755   1.315  1.00  0.00           N  
HETATM    5  C   UNL     1       2.180  -0.220   0.416  1.00  0.00           C  
HETATM    6  C   UNL     1       3.322  -0.565  -0.326  1.00  0.00           C  
HETATM    7  C   UNL     1       4.511   0.141  -0.081  1.00  0.00           C  
HETATM    8  N   UNL     1       5.668  -0.154  -0.781  1.00  0.00           N  
HETATM    9  N   UNL     1       2.967  -1.572  -1.160  1.00  0.00           N  
HETATM   10  C   UNL     1       1.710  -1.859  -0.981  1.00  0.00           C  
HETATM   11  N   UNL     1       1.180  -1.052  -0.019  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.635   2.846   0.213  1.00  0.00           N  
HETATM   13  O   UNL     1      -3.377  -2.138  -0.800  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.038   2.462   0.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.750   3.539  -0.808  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.100   1.128  -0.734  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.318   0.125  -0.008  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.957  -0.701   1.019  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.009  -0.039  -0.285  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.479   0.645  -1.135  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.204  -1.070   0.462  1.00  0.00           C  
HETATM   22  H   UNL     1       3.436   2.177   2.250  1.00  0.00           H  
HETATM   23  H   UNL     1       1.167  -2.624  -1.517  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.158   2.948  -0.671  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.528   2.359   0.981  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.137   0.799  -0.804  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.690   1.253  -1.736  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.770  -0.140   1.481  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.224  -0.969   1.779  1.00  0.00           H  
HETATM   30  H   UNL     1       5.664  -0.857  -1.450  1.00  0.00           H  
HETATM   31  H   UNL     1       6.483   0.341  -0.603  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.634  -2.058   0.294  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.221  -0.843   1.528  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.706   4.490  -0.275  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.260   3.642  -1.776  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.792   3.254  -0.956  1.00  0.00           H  
HETATM   37  O   UNL     1      -4.145  -2.862   1.142  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.566   3.691   0.760  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.483  -3.648   0.691  1.00  0.00           H  
CONECT    1   13   13   18   37                                       
CONECT    2    3    3    7                                            
CONECT    3    2    2    4   22                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4   11    6                                       
CONECT    6    5    9    7    7                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7   31   30                                            
CONECT    9    6   10   10                                            
CONECT   10    9    9   23   11                                       
CONECT   11    5   10   21                                            
CONECT   12   38   14   24                                            
CONECT   13    1    1                                                 
CONECT   14   12   25   15   16                                       
CONECT   15   14   35   34   36                                       
CONECT   16   14   17   26   27                                       
CONECT   17   16   18   19                                            
CONECT   18    1   17   28   29                                       
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   11   19   32   33                                       
CONECT   22    3                                                      
CONECT   23   10                                                      
CONECT   24   12                                                      
CONECT   25   14                                                      
CONECT   26   16                                                      
CONECT   27   16                                                      
CONECT   28   18                                                      
CONECT   29   18                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   21                                                      
CONECT   33   21                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37    1   39                                                 
CONECT   38   12                                                      
CONECT   39   37                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
