COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.773   1.776   0.673  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.433  -0.777   0.407  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.348  -1.223   1.102  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.480  -2.322   1.913  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.177  -0.631   1.016  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.001   0.444   0.238  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.077   0.950  -0.500  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.331   0.303  -0.399  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.296   0.709  -1.023  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.623   2.025  -1.188  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.362   2.205  -0.923  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.933   1.251  -0.046  1.00  0.00           N  
HETATM   13  N   UNL     1       1.618  -2.829  -0.178  1.00  0.00           N  
HETATM   14  O   UNL     1       3.716   2.111  -0.487  1.00  0.00           O  
HETATM   15  C   UNL     1       3.051  -2.520  -0.268  1.00  0.00           C  
HETATM   16  C   UNL     1       3.736  -3.536  -1.184  1.00  0.00           C  
HETATM   17  C   UNL     1       3.234  -1.113  -0.839  1.00  0.00           C  
HETATM   18  N   UNL     1       2.479  -0.154  -0.029  1.00  0.00           N  
HETATM   19  C   UNL     1       3.116   0.495   1.120  1.00  0.00           C  
HETATM   20  C   UNL     1       1.199   0.131  -0.340  1.00  0.00           C  
HETATM   21  O   UNL     1       0.672  -0.407  -1.291  1.00  0.00           O  
HETATM   22  C   UNL     1       0.422   1.117   0.494  1.00  0.00           C  
HETATM   23  H   UNL     1      -5.281  -1.240   0.490  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.747   2.991  -1.335  1.00  0.00           H  
HETATM   25  H   UNL     1       1.182  -2.790  -1.087  1.00  0.00           H  
HETATM   26  H   UNL     1       3.496  -2.569   0.726  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.338  -2.770   1.986  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.717  -2.651   2.413  1.00  0.00           H  
HETATM   29  H   UNL     1       4.292  -0.849  -0.823  1.00  0.00           H  
HETATM   30  H   UNL     1       2.869  -1.087  -1.866  1.00  0.00           H  
HETATM   31  H   UNL     1       3.867  -0.170   1.543  1.00  0.00           H  
HETATM   32  H   UNL     1       2.362   0.719   1.875  1.00  0.00           H  
HETATM   33  H   UNL     1       0.921   2.086   0.469  1.00  0.00           H  
HETATM   34  H   UNL     1       0.370   0.761   1.523  1.00  0.00           H  
HETATM   35  H   UNL     1       3.605  -4.538  -0.776  1.00  0.00           H  
HETATM   36  H   UNL     1       3.291  -3.487  -2.178  1.00  0.00           H  
HETATM   37  H   UNL     1       4.799  -3.306  -1.250  1.00  0.00           H  
HETATM   38  O   UNL     1       4.427   2.540   1.561  1.00  0.00           O  
HETATM   39  H   UNL     1       1.468  -3.727   0.256  1.00  0.00           H  
HETATM   40  H   UNL     1       4.833   3.352   1.227  1.00  0.00           H  
CONECT    1   19   14   14   38                                       
CONECT    2    3    8   23                                            
CONECT    3    2    5    5    4                                       
CONECT    4    3   27   28                                            
CONECT    5    3    3    6                                            
CONECT    6    5   12    7    7                                       
CONECT    7    6    6   10    8                                       
CONECT    8    2    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    7   11   11                                            
CONECT   11   10   10   12   24                                       
CONECT   12    6   11   22                                            
CONECT   13   15   39   25                                            
CONECT   14    1    1                                                 
CONECT   15   13   26   16   17                                       
CONECT   16   15   36   35   37                                       
CONECT   17   15   30   18   29                                       
CONECT   18   17   19   20                                            
CONECT   19    1   18   32   31                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   12   20   34   33                                       
CONECT   23    2                                                      
CONECT   24   11                                                      
CONECT   25   13                                                      
CONECT   26   15                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29   17                                                      
CONECT   30   17                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   22                                                      
CONECT   34   22                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38    1   40                                                 
CONECT   39   13                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
