COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.889   3.608   1.052  1.00  0.00           C  
HETATM    2  O   UNL     1       4.582   3.025  -0.216  1.00  0.00           O  
HETATM    3  C   UNL     1       3.720   1.974  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       3.378   1.360  -1.415  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   0.292  -1.415  1.00  0.00           C  
HETATM    6  C   UNL     1       3.185   1.511   0.974  1.00  0.00           C  
HETATM    7  C   UNL     1       2.309   0.443   0.969  1.00  0.00           C  
HETATM    8  C   UNL     1       1.965  -0.164  -0.225  1.00  0.00           C  
HETATM    9  C   UNL     1       1.008  -1.329  -0.228  1.00  0.00           C  
HETATM   10  C   UNL     1       1.645  -2.544  -0.942  1.00  0.00           C  
HETATM   11  C   UNL     1       1.404  -2.852   1.435  1.00  0.00           C  
HETATM   12  N   UNL     1       0.752  -1.781   1.144  1.00  0.00           N  
HETATM   13  N   UNL     1       1.350  -3.487   2.648  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.282  -0.942  -0.903  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.309  -0.392  -0.163  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.434  -1.134  -2.265  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.616  -0.781  -2.891  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.651  -0.235  -2.159  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.502  -0.035  -0.788  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.609   0.557   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       2.237  -3.317   0.261  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.812   0.921  -0.608  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.773   1.444   0.134  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.608   1.623   1.430  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.490   1.293   2.045  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.480   0.759   1.379  1.00  0.00           C  
HETATM   27  H   UNL     1       3.974   3.980   1.512  1.00  0.00           H  
HETATM   28  H   UNL     1       5.342   2.856   1.698  1.00  0.00           H  
HETATM   29  H   UNL     1       5.587   4.434   0.912  1.00  0.00           H  
HETATM   30  H   UNL     1       3.796   1.716  -2.345  1.00  0.00           H  
HETATM   31  H   UNL     1       3.453   1.985   1.907  1.00  0.00           H  
HETATM   32  H   UNL     1       2.234  -0.187  -2.346  1.00  0.00           H  
HETATM   33  H   UNL     1       1.892   0.082   1.897  1.00  0.00           H  
HETATM   34  H   UNL     1       0.889  -3.137  -1.457  1.00  0.00           H  
HETATM   35  H   UNL     1       2.429  -2.228  -1.631  1.00  0.00           H  
HETATM   36  H   UNL     1       2.128  -4.392   0.116  1.00  0.00           H  
HETATM   37  H   UNL     1       3.284  -3.053   0.407  1.00  0.00           H  
HETATM   38  H   UNL     1       0.793  -3.132   3.358  1.00  0.00           H  
HETATM   39  H   UNL     1       1.870  -4.293   2.797  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.189  -0.239   0.899  1.00  0.00           H  
HETATM   41  H   UNL     1       0.374  -1.561  -2.841  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.729  -0.933  -3.954  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.573   0.040  -2.649  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.955   0.778  -1.669  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.569   0.487   1.890  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.415   2.053   2.005  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    6    6                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    8   32                                       
CONECT    6    3    3    7   31                                       
CONECT    7    6    8    8   33                                       
CONECT    8    5    7    7    9                                       
CONECT    9    8   10   12   14                                       
CONECT   10    9   21   34   35                                       
CONECT   11   12   12   13   21                                       
CONECT   12    9   11   11                                            
CONECT   13   11   38   39                                            
CONECT   14    9   15   16   16                                       
CONECT   15   14   19   19   40                                       
CONECT   16   14   14   17   41                                       
CONECT   17   16   18   18   42                                       
CONECT   18   17   17   19   43                                       
CONECT   19   15   15   18   20                                       
CONECT   20   19   22   22   26                                       
CONECT   21   10   11   36   37                                       
CONECT   22   20   20   23   44                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   46                                       
CONECT   25   24   26   26                                            
CONECT   26   20   25   25   45                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
