COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.658  -1.304   1.197  1.00  0.00           N  
HETATM    2  C   UNL     1       3.968  -2.083   0.183  1.00  0.00           C  
HETATM    3  N   UNL     1       4.594  -3.280   0.425  1.00  0.00           N  
HETATM    4  N   UNL     1       3.681  -1.732  -1.100  1.00  0.00           N  
HETATM    5  C   UNL     1       3.067  -0.557  -1.361  1.00  0.00           C  
HETATM    6  O   UNL     1       2.807  -0.230  -2.510  1.00  0.00           O  
HETATM    7  C   UNL     1       2.736   0.276  -0.288  1.00  0.00           C  
HETATM    8  N   UNL     1       2.095   1.516  -0.506  1.00  0.00           N  
HETATM    9  C   UNL     1       1.454   2.185   0.638  1.00  0.00           C  
HETATM   10  C   UNL     1       2.410   2.097   1.837  1.00  0.00           C  
HETATM   11  N   UNL     1       2.720   0.681   2.078  1.00  0.00           N  
HETATM   12  C   UNL     1       3.046  -0.130   1.002  1.00  0.00           C  
HETATM   13  C   UNL     1       0.136   1.485   0.974  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.711   1.438  -0.220  1.00  0.00           N  
HETATM   15  C   UNL     1       2.070   2.122  -1.839  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.465  -0.336  -0.037  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.009   0.216  -1.238  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.770   0.801  -1.295  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.966   0.845  -0.159  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.418   0.296   1.038  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.655  -0.290   1.102  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.799  -0.960   0.029  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.503  -0.994  -0.960  1.00  0.00           O  
HETATM   24  H   UNL     1       4.803  -3.542   1.336  1.00  0.00           H  
HETATM   25  H   UNL     1       4.828  -3.863  -0.313  1.00  0.00           H  
HETATM   26  H   UNL     1       3.919  -2.326  -1.829  1.00  0.00           H  
HETATM   27  H   UNL     1       1.265   3.231   0.394  1.00  0.00           H  
HETATM   28  H   UNL     1       3.328   2.642   1.616  1.00  0.00           H  
HETATM   29  H   UNL     1       1.932   2.524   2.719  1.00  0.00           H  
HETATM   30  H   UNL     1       2.698   0.319   2.978  1.00  0.00           H  
HETATM   31  H   UNL     1       0.341   0.470   1.315  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.377   2.036   1.762  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.395   1.821  -1.054  1.00  0.00           H  
HETATM   34  H   UNL     1       1.487   1.493  -2.513  1.00  0.00           H  
HETATM   35  H   UNL     1       1.615   3.111  -1.780  1.00  0.00           H  
HETATM   36  H   UNL     1       3.088   2.213  -2.217  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.632   0.182  -2.120  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.417   1.228  -2.222  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.792   0.331   1.918  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.005  -0.716   2.031  1.00  0.00           H  
HETATM   41  O   UNL     1      -6.237  -1.492   1.187  1.00  0.00           O  
HETATM   42  H   UNL     1      -7.118  -1.890   1.182  1.00  0.00           H  
CONECT    1    2    2   12                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   24   25                                            
CONECT    4    2    5   26                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   12   12                                       
CONECT    8    7    9   15                                            
CONECT    9    8   10   13   27                                       
CONECT   10    9   11   28   29                                       
CONECT   11   10   12   30                                            
CONECT   12    1    7    7   11                                       
CONECT   13    9   14   31   32                                       
CONECT   14   13   19   33                                            
CONECT   15    8   34   35   36                                       
CONECT   16   17   17   21   22                                       
CONECT   17   16   16   18   37                                       
CONECT   18   17   19   19   38                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19   21   21   39                                       
CONECT   21   16   20   20   40                                       
CONECT   22   16   23   23   41                                       
CONECT   23   22   22                                                 
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
