COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.734   0.015  -0.102  1.00  0.00           C  
HETATM    2  C   UNL     1       5.061  -0.014   0.515  1.00  0.00           C  
HETATM    3  N   UNL     1       0.226   0.010  -0.579  1.00  0.00           N  
HETATM    4  C   UNL     1       5.410   0.210  -0.841  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.281   3.552  -0.049  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.957   2.384   0.422  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.337   1.142  -0.220  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.137  -0.098   0.187  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.475   0.015  -0.303  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.985   1.001   0.222  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.301  -0.120  -0.340  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.020  -1.410   0.062  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.370  -2.529  -0.545  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.475  -1.343  -0.410  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.174  -2.511   0.026  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.884  -0.154   0.172  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.532  -0.346   1.415  1.00  0.00           N  
HETATM   18  C   UNL     1       0.802  -0.314   1.512  1.00  0.00           C  
HETATM   19  C   UNL     1       1.307  -0.091   0.268  1.00  0.00           C  
HETATM   20  C   UNL     1       3.708  -0.110   0.874  1.00  0.00           C  
HETATM   21  C   UNL     1       6.079  -0.136   1.478  1.00  0.00           C  
HETATM   22  C   UNL     1       7.382  -0.038   1.096  1.00  0.00           C  
HETATM   23  C   UNL     1       7.724   0.182  -0.236  1.00  0.00           C  
HETATM   24  C   UNL     1       6.765   0.305  -1.195  1.00  0.00           C  
HETATM   25  C   UNL     1       4.396   0.333  -1.809  1.00  0.00           C  
HETATM   26  C   UNL     1       3.092   0.237  -1.444  1.00  0.00           C  
HETATM   27  H   UNL     1       0.257   0.165  -1.536  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.623   4.379   0.317  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.859   2.320   1.506  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.012   2.442   0.155  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.355   1.246  -1.305  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.154  -0.180   1.274  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.040  -0.737  -0.081  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.292  -0.033  -1.427  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.993  -1.519   1.147  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.774  -3.381  -0.333  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.503  -1.285  -1.498  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.807  -3.339  -0.315  1.00  0.00           H  
HETATM   39  H   UNL     1       1.377  -0.443   2.418  1.00  0.00           H  
HETATM   40  H   UNL     1       3.428  -0.280   1.903  1.00  0.00           H  
HETATM   41  H   UNL     1       5.828  -0.306   2.514  1.00  0.00           H  
HETATM   42  H   UNL     1       8.162  -0.132   1.837  1.00  0.00           H  
HETATM   43  H   UNL     1       8.765   0.256  -0.513  1.00  0.00           H  
HETATM   44  H   UNL     1       7.046   0.475  -2.224  1.00  0.00           H  
HETATM   45  H   UNL     1       4.655   0.504  -2.844  1.00  0.00           H  
HETATM   46  H   UNL     1       2.320   0.332  -2.193  1.00  0.00           H  
CONECT    1   19   20   20   26                                       
CONECT    2   20   21   21    4                                       
CONECT    3   16   19   27                                            
CONECT    4    2   25   24   24                                       
CONECT    5    6   28                                                 
CONECT    6    5    7   29   30                                       
CONECT    7    8    6   10   31                                       
CONECT    8    9   14    7   32                                       
CONECT    9    8   33                                                 
CONECT   10    7   11                                                 
CONECT   11   12   10   16   34                                       
CONECT   12   14   13   11   35                                       
CONECT   13   12   36                                                 
CONECT   14   15    8   12   37                                       
CONECT   15   14   38                                                 
CONECT   16   11   17   17    3                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   39                                       
CONECT   19   18   18    3    1                                       
CONECT   20    1    1    2   40                                       
CONECT   21    2    2   22   41                                       
CONECT   22   21   23   23   42                                       
CONECT   23   22   22   24   43                                       
CONECT   24    4    4   23   44                                       
CONECT   25   26   26    4   45                                       
CONECT   26    1   25   25   46                                       
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
