COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.063   0.046   0.592  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.226   0.115   1.353  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.359  -0.552   0.943  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.340  -1.297  -0.239  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.170  -1.363  -1.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.516  -1.992  -0.668  1.00  0.00           C  
HETATM    7  C   UNL     1       2.815  -0.842   1.428  1.00  0.00           C  
HETATM    8  C   UNL     1       3.600  -1.790   2.080  1.00  0.00           C  
HETATM    9  C   UNL     1       5.308  -1.556   0.546  1.00  0.00           C  
HETATM   10  C   UNL     1       7.086  -1.322  -1.039  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.005   2.376  -0.674  1.00  0.00           C  
HETATM   12  C   UNL     1       0.291   1.205  -1.614  1.00  0.00           C  
HETATM   13  C   UNL     1       1.134   0.161  -0.880  1.00  0.00           C  
HETATM   14  C   UNL     1       2.450   0.796  -0.426  1.00  0.00           C  
HETATM   15  C   UNL     1       2.155   1.966   0.514  1.00  0.00           C  
HETATM   16  C   UNL     1       1.311   3.010  -0.221  1.00  0.00           C  
HETATM   17  C   UNL     1       3.280  -0.233   0.297  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.773   1.867   0.547  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.069   3.037   1.488  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.070   1.242   0.101  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.916   0.722   1.012  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.351   1.207  -1.079  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.039  -0.698  -0.582  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.449  -2.543  -1.009  1.00  0.00           N  
HETATM   25  N   UNL     1       4.791  -2.118   1.643  1.00  0.00           N  
HETATM   26  C   UNL     1       4.558  -0.592  -0.172  1.00  0.00           C  
HETATM   27  C   UNL     1       6.586  -1.912   0.081  1.00  0.00           C  
HETATM   28  C   UNL     1       6.351  -0.367  -1.737  1.00  0.00           C  
HETATM   29  C   UNL     1       5.105  -0.004  -1.324  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.239   0.691   2.267  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.261  -0.499   1.535  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.152  -1.938  -1.915  1.00  0.00           H  
HETATM   33  H   UNL     1       1.837  -0.593   1.812  1.00  0.00           H  
HETATM   34  H   UNL     1       3.217  -2.266   2.971  1.00  0.00           H  
HETATM   35  H   UNL     1       8.069  -1.599  -1.391  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.605   3.120  -1.197  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.647   0.753  -1.937  1.00  0.00           H  
HETATM   38  H   UNL     1       0.838   1.568  -2.484  1.00  0.00           H  
HETATM   39  H   UNL     1       0.586  -0.201  -0.010  1.00  0.00           H  
HETATM   40  H   UNL     1       1.344  -0.673  -1.550  1.00  0.00           H  
HETATM   41  H   UNL     1       2.997   1.158  -1.296  1.00  0.00           H  
HETATM   42  H   UNL     1       1.607   1.604   1.384  1.00  0.00           H  
HETATM   43  H   UNL     1       3.092   2.418   0.837  1.00  0.00           H  
HETATM   44  H   UNL     1       1.859   3.372  -1.091  1.00  0.00           H  
HETATM   45  H   UNL     1       1.101   3.844   0.449  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.173   1.123   1.071  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.616   2.675   2.358  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.131   3.489   1.811  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.669   3.781   0.964  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.728   0.818   1.958  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.135  -0.749  -1.170  1.00  0.00           H  
HETATM   52  H   UNL     1       7.169  -2.650   0.612  1.00  0.00           H  
HETATM   53  H   UNL     1       6.771   0.086  -2.623  1.00  0.00           H  
HETATM   54  H   UNL     1       4.542   0.732  -1.878  1.00  0.00           H  
CONECT    1   21   23   23    2                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    5    5    3    6                                       
CONECT    5   23    4    4   32                                       
CONECT    6    4   24   24   24                                       
CONECT    7   17   17    8   33                                       
CONECT    8   25   25    7   34                                       
CONECT    9   27   27   26   25                                       
CONECT   10   28   28   27   35                                       
CONECT   11   12   16   18   36                                       
CONECT   12   13   11   37   38                                       
CONECT   13   14   12   39   40                                       
CONECT   14   17   13   15   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   15   11   44   45                                       
CONECT   17   26   14    7    7                                       
CONECT   18   11   20   19   46                                       
CONECT   19   18   47   48   49                                       
CONECT   20   21   18   22   22                                       
CONECT   21    1   20   50                                            
CONECT   22   20   20                                                 
CONECT   23    1    1    5   51                                       
CONECT   24    6    6    6                                            
CONECT   25    9    8    8                                            
CONECT   26   29   29    9   17                                       
CONECT   27   10    9    9   52                                       
CONECT   28   10   10   29   53                                       
CONECT   29   28   26   26   54                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
