COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.283  -2.618  -0.124  1.00  0.00           C  
HETATM    2  C   UNL     1       2.282  -1.252   0.181  1.00  0.00           C  
HETATM    3  C   UNL     1       3.512  -0.604   0.387  1.00  0.00           C  
HETATM    4  C   UNL     1       4.257   1.729   0.946  1.00  0.00           C  
HETATM    5  C   UNL     1       4.771   2.312  -0.372  1.00  0.00           C  
HETATM    6  C   UNL     1       6.307   3.917  -1.270  1.00  0.00           C  
HETATM    7  C   UNL     1       1.896   0.934   0.649  1.00  0.00           C  
HETATM    8  C   UNL     1       1.244  -0.226   0.358  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.172  -0.409   0.246  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.332  -0.559   0.154  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.748  -0.743   0.042  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.612   0.337   0.234  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.981   0.151   0.123  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.477   2.471  -0.052  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.363   3.649   0.261  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.490  -1.107  -0.178  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.635  -2.177  -0.368  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.270  -2.003  -0.266  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.343  -3.172  -0.479  1.00  0.00           C  
HETATM   20  C   UNL     1       4.587  -2.601  -0.005  1.00  0.00           C  
HETATM   21  N   UNL     1       1.097  -3.298  -0.335  1.00  0.00           N  
HETATM   22  N   UNL     1       3.243   0.709   0.667  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.851   1.230   0.315  1.00  0.00           N  
HETATM   24  N   UNL     1       4.632  -1.319   0.284  1.00  0.00           N  
HETATM   25  N   UNL     1       3.453  -3.246  -0.211  1.00  0.00           N  
HETATM   26  O   UNL     1       5.760   3.307  -0.100  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.427   2.641  -0.635  1.00  0.00           O  
HETATM   28  H   UNL     1       5.086   1.278   1.491  1.00  0.00           H  
HETATM   29  H   UNL     1       3.817   2.524   1.548  1.00  0.00           H  
HETATM   30  H   UNL     1       5.211   1.517  -0.974  1.00  0.00           H  
HETATM   31  H   UNL     1       3.942   2.763  -0.917  1.00  0.00           H  
HETATM   32  H   UNL     1       7.050   4.660  -0.979  1.00  0.00           H  
HETATM   33  H   UNL     1       6.780   3.156  -1.891  1.00  0.00           H  
HETATM   34  H   UNL     1       5.510   4.402  -1.834  1.00  0.00           H  
HETATM   35  H   UNL     1       1.421   1.885   0.837  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.215   1.314   0.468  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.096   4.055   1.237  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.228   4.418  -0.500  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.404   3.328   0.273  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.557  -1.249  -0.263  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.037  -3.152  -0.601  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.170  -3.677   0.471  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.794  -3.869  -1.185  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.394  -2.814  -0.879  1.00  0.00           H  
HETATM   45  H   UNL     1       5.515  -3.147  -0.085  1.00  0.00           H  
HETATM   46  H   UNL     1       0.250  -2.828  -0.273  1.00  0.00           H  
HETATM   47  H   UNL     1       1.111  -4.245  -0.546  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.724   1.084   0.712  1.00  0.00           H  
CONECT    1    2    2   25   21                                       
CONECT    2    3    8    1    1                                       
CONECT    3   22   24   24    2                                       
CONECT    4    5   22   28   29                                       
CONECT    5   26    4   30   31                                       
CONECT    6   26   32   33   34                                       
CONECT    7   22    8    8   35                                       
CONECT    8    7    7    2    9                                       
CONECT    9    8   10   10   10                                       
CONECT   10    9    9    9   11                                       
CONECT   11   10   12   12   18                                       
CONECT   12   11   11   13   36                                       
CONECT   13   12   23   16   16                                       
CONECT   14   27   27   15   23                                       
CONECT   15   14   37   38   39                                       
CONECT   16   13   13   17   40                                       
CONECT   17   18   18   16   41                                       
CONECT   18   11   19   17   17                                       
CONECT   19   18   42   43   44                                       
CONECT   20   24   25   25   45                                       
CONECT   21    1   46   47                                            
CONECT   22    4    7    3                                            
CONECT   23   14   13   48                                            
CONECT   24    3    3   20                                            
CONECT   25   20   20    1                                            
CONECT   26    6    5                                                 
CONECT   27   14   14                                                 
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
