COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.155  -0.794  -0.035  1.00  0.00           C  
HETATM    2  C   UNL     1       3.558   0.457  -0.060  1.00  0.00           C  
HETATM    3  N   UNL     1       2.243   0.569  -0.014  1.00  0.00           N  
HETATM    4  N   UNL     1       3.420  -1.888   0.034  1.00  0.00           N  
HETATM    5  C   UNL     1       2.098  -1.795   0.086  1.00  0.00           C  
HETATM    6  C   UNL     1       1.493  -0.523   0.056  1.00  0.00           C  
HETATM    7  C   UNL     1       0.042  -0.767   0.120  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.121  -2.121   0.177  1.00  0.00           C  
HETATM    9  N   UNL     1       1.089  -2.729   0.161  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.021   0.247   0.116  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.735   1.429   0.062  1.00  0.00           O  
HETATM   12  C   UNL     1       4.414   1.695  -0.139  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.314  -0.131   0.172  1.00  0.00           N  
HETATM   14  C   UNL     1       5.772   1.661   0.563  1.00  0.00           C  
HETATM   15  C   UNL     1       5.700   1.613  -0.964  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.374   0.881   0.168  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.664   0.265  -0.378  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.735   1.350  -0.499  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.396  -0.343  -1.756  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.118  -0.756   0.513  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.610   1.378   1.595  1.00  0.00           C  
HETATM   22  H   UNL     1       5.231  -0.874  -0.077  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.071  -2.630   0.232  1.00  0.00           H  
HETATM   24  H   UNL     1       1.226  -3.689   0.193  1.00  0.00           H  
HETATM   25  H   UNL     1       3.872   2.641  -0.143  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.542  -1.072   0.215  1.00  0.00           H  
HETATM   27  H   UNL     1       6.125   2.584   1.022  1.00  0.00           H  
HETATM   28  H   UNL     1       6.047   0.743   1.083  1.00  0.00           H  
HETATM   29  H   UNL     1       5.926   0.664  -1.450  1.00  0.00           H  
HETATM   30  H   UNL     1       6.004   2.506  -1.511  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.075   1.717  -0.464  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.388   2.129  -1.179  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.654   0.912  -0.888  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.926   1.784   0.482  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.632  -1.117  -1.669  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.315  -0.782  -2.145  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.049   0.435  -2.435  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.934  -1.191   0.229  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.908   0.541   2.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.691   1.816   1.984  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.398   2.130   1.592  1.00  0.00           H  
CONECT    1    2    2    4   22                                       
CONECT    2    3   12    1    1                                       
CONECT    3    6    6    2                                            
CONECT    4    5    5    1                                            
CONECT    5    6    9    4    4                                       
CONECT    6    7    3    3    5                                       
CONECT    7   10    8    8    6                                       
CONECT    8    7    7    9   23                                       
CONECT    9    8    5   24                                            
CONECT   10   13   11   11    7                                       
CONECT   11   10   10                                                 
CONECT   12   14    2   15   25                                       
CONECT   13   16   10   26                                            
CONECT   14   12   15   27   28                                       
CONECT   15   14   12   29   30                                       
CONECT   16   21   17   13   31                                       
CONECT   17   18   16   20   19                                       
CONECT   18   17   32   33   34                                       
CONECT   19   17   35   36   37                                       
CONECT   20   17   38                                                 
CONECT   21   16   39   40   41                                       
CONECT   22    1                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
