COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.837  -2.977   0.005  1.00  0.00           O  
HETATM    2  C   UNL     1       3.423  -1.832  -0.025  1.00  0.00           C  
HETATM    3  C   UNL     1       4.337  -0.710   0.212  1.00  0.00           C  
HETATM    4  C   UNL     1       5.692  -0.905   0.477  1.00  0.00           C  
HETATM    5  N   UNL     1       2.124  -1.586  -0.282  1.00  0.00           N  
HETATM    6  C   UNL     1       1.617  -0.310  -0.326  1.00  0.00           C  
HETATM    7  C   UNL     1       2.393   0.782  -0.112  1.00  0.00           C  
HETATM    8  C   UNL     1       3.816   0.606   0.168  1.00  0.00           C  
HETATM    9  C   UNL     1       4.664   1.693   0.391  1.00  0.00           C  
HETATM   10  C   UNL     1       4.122   3.099   0.348  1.00  0.00           C  
HETATM   11  C   UNL     1       5.988   1.476   0.650  1.00  0.00           C  
HETATM   12  C   UNL     1       6.504   0.186   0.693  1.00  0.00           C  
HETATM   13  C   UNL     1       0.179  -0.120  -0.615  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.642  -1.226  -0.839  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.983  -1.042  -1.108  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.513   0.235  -1.157  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.704   1.335  -0.936  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.363   1.165  -0.659  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.978   0.428  -1.452  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.736   0.425  -0.194  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.127   0.845  -0.415  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.859   0.905   0.927  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.806  -0.415   1.571  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.415  -0.835   1.792  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.683  -0.895   0.450  1.00  0.00           C  
HETATM   26  H   UNL     1       1.527  -2.333  -0.442  1.00  0.00           H  
HETATM   27  H   UNL     1       6.101  -1.904   0.514  1.00  0.00           H  
HETATM   28  H   UNL     1       7.554   0.038   0.899  1.00  0.00           H  
HETATM   29  H   UNL     1       1.964   1.773  -0.153  1.00  0.00           H  
HETATM   30  H   UNL     1       3.787   3.390   1.344  1.00  0.00           H  
HETATM   31  H   UNL     1       4.904   3.780   0.014  1.00  0.00           H  
HETATM   32  H   UNL     1       3.282   3.142  -0.345  1.00  0.00           H  
HETATM   33  H   UNL     1       6.643   2.317   0.822  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.229  -2.223  -0.802  1.00  0.00           H  
HETATM   35  H   UNL     1       0.266   2.025  -0.482  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.619  -1.897  -1.282  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.124   2.329  -0.975  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.123   1.380  -1.962  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.330  -0.383  -2.090  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.139   1.830  -0.881  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.623   0.127  -1.068  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.163  -1.633  -0.193  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.644  -1.178   0.615  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.378   1.642   1.571  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.898   1.188   0.762  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.327  -0.417   2.435  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.919  -0.117   2.445  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.403  -1.820   2.258  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3   12   12   27                                       
CONECT    5    2    6   26                                            
CONECT    6    5    7    7   13                                       
CONECT    7    6    6    8   29                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   30   31   32                                       
CONECT   11    9    9   12   33                                       
CONECT   12    4    4   11   28                                       
CONECT   13    6   14   18   18                                       
CONECT   14   13   15   15   34                                       
CONECT   15   14   14   16   36                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   37                                       
CONECT   18   13   13   17   35                                       
CONECT   19   16   20   38   39                                       
CONECT   20   19   21   25                                            
CONECT   21   20   22   40   41                                       
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   46                                            
CONECT   24   23   25   47   48                                       
CONECT   25   20   24   42   43                                       
CONECT   26    5                                                      
CONECT   27    4                                                      
CONECT   28   12                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   18                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
