COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.671   1.327  -1.161  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.941   1.606  -0.960  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.750   0.669  -0.459  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.050   0.901  -0.235  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.833  -0.036   0.261  1.00  0.00           C  
HETATM    6  N   UNL     1      -7.165   0.267   0.469  1.00  0.00           N  
HETATM    7  N   UNL     1      -5.410  -1.257   0.570  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.144  -1.612   0.395  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.708  -2.879   0.716  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.227  -0.611  -0.152  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.940  -0.873  -0.363  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.161   0.065  -0.858  1.00  0.00           C  
HETATM   13  C   UNL     1       0.298  -0.227  -1.099  1.00  0.00           C  
HETATM   14  N   UNL     1       1.053  -0.007   0.142  1.00  0.00           N  
HETATM   15  C   UNL     1       1.259   1.425   0.386  1.00  0.00           C  
HETATM   16  C   UNL     1       1.502   1.646   1.849  1.00  0.00           C  
HETATM   17  C   UNL     1       2.381   2.477   2.312  1.00  0.00           C  
HETATM   18  C   UNL     1       3.257   3.319   1.436  1.00  0.00           C  
HETATM   19  C   UNL     1       3.290   2.796   0.034  1.00  0.00           C  
HETATM   20  C   UNL     1       2.389   1.950  -0.443  1.00  0.00           C  
HETATM   21  C   UNL     1       2.486   1.520  -1.850  1.00  0.00           C  
HETATM   22  C   UNL     1       2.813   0.236  -2.109  1.00  0.00           C  
HETATM   23  C   UNL     1       3.114  -0.651  -0.975  1.00  0.00           C  
HETATM   24  C   UNL     1       4.278  -1.424  -0.990  1.00  0.00           C  
HETATM   25  C   UNL     1       2.249  -0.724   0.133  1.00  0.00           C  
HETATM   26  C   UNL     1       2.586  -1.521   1.215  1.00  0.00           C  
HETATM   27  C   UNL     1       3.748  -2.268   1.196  1.00  0.00           C  
HETATM   28  C   UNL     1       4.589  -2.228   0.091  1.00  0.00           C  
HETATM   29  O   UNL     1       5.720  -2.982   0.073  1.00  0.00           O  
HETATM   30  H   UNL     1      -1.017   2.083  -1.570  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.501   1.151   0.251  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.764  -0.404   0.832  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.331  -3.529   1.078  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.778  -3.121   0.581  1.00  0.00           H  
HETATM   35  H   UNL     1       0.413  -1.264  -1.415  1.00  0.00           H  
HETATM   36  H   UNL     1       0.677   0.435  -1.877  1.00  0.00           H  
HETATM   37  H   UNL     1       0.355   1.962   0.097  1.00  0.00           H  
HETATM   38  H   UNL     1       0.911   1.082   2.556  1.00  0.00           H  
HETATM   39  H   UNL     1       2.487   2.568   3.383  1.00  0.00           H  
HETATM   40  H   UNL     1       2.876   4.341   1.427  1.00  0.00           H  
HETATM   41  H   UNL     1       4.269   3.321   1.840  1.00  0.00           H  
HETATM   42  H   UNL     1       4.085   3.123  -0.620  1.00  0.00           H  
HETATM   43  H   UNL     1       2.853  -0.130  -3.124  1.00  0.00           H  
HETATM   44  H   UNL     1       4.936  -1.394  -1.847  1.00  0.00           H  
HETATM   45  H   UNL     1       1.937  -1.559   2.078  1.00  0.00           H  
HETATM   46  H   UNL     1       4.004  -2.886   2.044  1.00  0.00           H  
HETATM   47  H   UNL     1       6.497  -2.534   0.434  1.00  0.00           H  
HETATM   48  H   UNL     1       2.298   2.216  -2.655  1.00  0.00           H  
CONECT    1    2    2   12   30                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   31   32                                            
CONECT    7    5    5    8                                            
CONECT    8    7    9   10   10                                       
CONECT    9    8   33   34                                            
CONECT   10    3    8    8   11                                       
CONECT   11   10   12   12                                            
CONECT   12    1   11   11   13                                       
CONECT   13   12   14   35   36                                       
CONECT   14   13   15   25                                            
CONECT   15   14   16   20   37                                       
CONECT   16   15   17   17   38                                       
CONECT   17   16   16   18   39                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   20   42                                       
CONECT   20   15   19   19   21                                       
CONECT   21   20   22   22   48                                       
CONECT   22   21   21   23   43                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   28   44                                       
CONECT   25   14   23   26   26                                       
CONECT   26   25   25   27   45                                       
CONECT   27   26   28   28   46                                       
CONECT   28   24   27   27   29                                       
CONECT   29   28   47                                                 
CONECT   30    1                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
