COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.903   0.177   0.568  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.344   1.283   1.182  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.988   1.523   1.075  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.186   0.652   0.349  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.751  -0.455  -0.272  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.107  -0.692  -0.156  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.383  -0.081   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.104   0.600  -0.447  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.440   0.506  -0.546  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.481   1.231  -1.268  1.00  0.00           O  
HETATM   11  N   UNL     1       1.351   0.079  -0.063  1.00  0.00           N  
HETATM   12  C   UNL     1       2.231  -0.913  -0.140  1.00  0.00           C  
HETATM   13  C   UNL     1       1.776  -2.239   0.021  1.00  0.00           C  
HETATM   14  C   UNL     1       0.413  -2.445   0.264  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.393  -1.402   0.325  1.00  0.00           N  
HETATM   16  C   UNL     1       0.070  -0.167   0.165  1.00  0.00           C  
HETATM   17  C   UNL     1       2.710  -3.374  -0.056  1.00  0.00           C  
HETATM   18  O   UNL     1       3.908  -3.172  -0.128  1.00  0.00           O  
HETATM   19  N   UNL     1       3.565  -0.651  -0.378  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.813   0.892   0.238  1.00  0.00           N  
HETATM   21  N   UNL     1       2.240  -4.637  -0.046  1.00  0.00           N  
HETATM   22  C   UNL     1       4.990   3.257  -0.174  1.00  0.00           C  
HETATM   23  C   UNL     1       3.671   3.021  -0.513  1.00  0.00           C  
HETATM   24  C   UNL     1       3.195   1.726  -0.581  1.00  0.00           C  
HETATM   25  C   UNL     1       4.043   0.660  -0.310  1.00  0.00           C  
HETATM   26  C   UNL     1       5.370   0.901   0.024  1.00  0.00           C  
HETATM   27  C   UNL     1       5.838   2.198   0.097  1.00  0.00           C  
HETATM   28  C   UNL     1       7.275   2.460   0.466  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.968   1.960   1.746  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.552   2.386   1.555  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.130  -1.133  -0.838  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.546  -1.555  -0.634  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.569  -1.154   0.643  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.745   0.312   1.636  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.903   0.943  -1.273  1.00  0.00           H  
HETATM   36  H   UNL     1       0.026  -3.445   0.397  1.00  0.00           H  
HETATM   37  H   UNL     1       4.171  -1.378  -0.593  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.480   1.803   0.212  1.00  0.00           H  
HETATM   39  H   UNL     1       1.285  -4.798   0.012  1.00  0.00           H  
HETATM   40  H   UNL     1       2.856  -5.384  -0.096  1.00  0.00           H  
HETATM   41  H   UNL     1       5.360   4.270  -0.121  1.00  0.00           H  
HETATM   42  H   UNL     1       3.011   3.849  -0.724  1.00  0.00           H  
HETATM   43  H   UNL     1       2.164   1.542  -0.845  1.00  0.00           H  
HETATM   44  H   UNL     1       6.033   0.075   0.236  1.00  0.00           H  
HETATM   45  H   UNL     1       7.359   2.567   1.547  1.00  0.00           H  
HETATM   46  H   UNL     1       7.894   1.626   0.134  1.00  0.00           H  
HETATM   47  H   UNL     1       7.613   3.377  -0.018  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   20                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5   32                                       
CONECT    7    1    8   33   34                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   35                                                 
CONECT   10    8    8                                                 
CONECT   11   12   12   16                                            
CONECT   12   11   11   13   19                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   15   36                                       
CONECT   15   14   16   16                                            
CONECT   16   11   15   15   20                                       
CONECT   17   13   18   18   21                                       
CONECT   18   17   17                                                 
CONECT   19   12   25   37                                            
CONECT   20    4   16   38                                            
CONECT   21   17   39   40                                            
CONECT   22   23   23   27   41                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   19   24   24   26                                       
CONECT   26   25   27   27   44                                       
CONECT   27   22   26   26   28                                       
CONECT   28   27   45   46   47                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
