COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.251   2.964  -0.304  1.00  0.00           C  
HETATM    2  N   UNL     1       1.851   1.628  -0.302  1.00  0.00           N  
HETATM    3  C   UNL     1       3.188   1.331  -0.131  1.00  0.00           C  
HETATM    4  C   UNL     1       4.331   2.107   0.079  1.00  0.00           C  
HETATM    5  C   UNL     1       5.557   1.544   0.217  1.00  0.00           C  
HETATM    6  C   UNL     1       5.726   0.146   0.155  1.00  0.00           C  
HETATM    7  N   UNL     1       6.935  -0.406   0.291  1.00  0.00           N  
HETATM    8  C   UNL     1       7.102  -1.707   0.234  1.00  0.00           C  
HETATM    9  C   UNL     1       6.034  -2.573   0.030  1.00  0.00           C  
HETATM   10  C   UNL     1       4.768  -2.070  -0.118  1.00  0.00           C  
HETATM   11  C   UNL     1       4.597  -0.682  -0.056  1.00  0.00           C  
HETATM   12  C   UNL     1       3.283  -0.063  -0.204  1.00  0.00           C  
HETATM   13  N   UNL     1       2.042  -0.540  -0.409  1.00  0.00           N  
HETATM   14  C   UNL     1       1.195   0.449  -0.463  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.290   0.307  -0.679  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.992   0.165   0.673  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.476   0.023   0.456  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.117  -1.124   0.291  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.333   1.019   0.407  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.597   0.461   0.191  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.851   0.970   0.050  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.076   2.459   0.120  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.412  -0.894   0.125  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.529  -1.722  -0.090  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.359  -3.217  -0.167  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.720  -1.186  -0.221  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.895   0.134  -0.153  1.00  0.00           C  
HETATM   28  H   UNL     1       1.246   3.359  -1.320  1.00  0.00           H  
HETATM   29  H   UNL     1       0.228   2.904   0.067  1.00  0.00           H  
HETATM   30  H   UNL     1       1.833   3.625   0.339  1.00  0.00           H  
HETATM   31  H   UNL     1       4.236   3.181   0.132  1.00  0.00           H  
HETATM   32  H   UNL     1       6.417   2.177   0.378  1.00  0.00           H  
HETATM   33  H   UNL     1       8.095  -2.115   0.349  1.00  0.00           H  
HETATM   34  H   UNL     1       6.201  -3.639  -0.013  1.00  0.00           H  
HETATM   35  H   UNL     1       3.926  -2.727  -0.277  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.668   1.191  -1.194  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.486  -0.577  -1.285  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.613  -0.719   1.187  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.796   1.050   1.279  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.987   2.886  -0.878  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.072   2.658   0.514  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.329   2.908   0.775  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.462  -3.647   0.829  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.122  -3.636  -0.824  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.371  -3.451  -0.564  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.889   0.544  -0.265  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2   14    1    3                                            
CONECT    3    2   12   12    4                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6   11    5    7    7                                       
CONECT    7    6    6    8                                            
CONECT    8    9    9    7   33                                       
CONECT    9   10    8    8   34                                       
CONECT   10   11   11    9   35                                       
CONECT   11   12   10   10    6                                       
CONECT   12   13    3    3   11                                       
CONECT   13   14   14   12                                            
CONECT   14   15   13   13    2                                       
CONECT   15   16   14   36   37                                       
CONECT   16   17   15   38   39                                       
CONECT   17   19   19   18   16                                       
CONECT   18   23   23   17                                            
CONECT   19   20   17   17                                            
CONECT   20   21   23   19                                            
CONECT   21   27   27   22   20                                       
CONECT   22   21   40   41   42                                       
CONECT   23   24   20   18   18                                       
CONECT   24   26   26   25   23                                       
CONECT   25   24   43   44   45                                       
CONECT   26   27   24   24                                            
CONECT   27   26   21   21   46                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
