COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      45.568  19.242   6.333  1.00  0.00           C  
HETATM    2  C   UNL     1      42.144  12.122   7.226  1.00  0.00           C  
HETATM    3  C   UNL     1      44.401  17.704   8.261  1.00  0.00           C  
HETATM    4  C   UNL     1      44.369  12.844   9.134  1.00  0.00           C  
HETATM    5  C   UNL     1      43.831  14.260   9.164  1.00  0.00           C  
HETATM    6  C   UNL     1      45.923  11.733   7.515  1.00  0.00           C  
HETATM    7  C   UNL     1      47.063  12.718   7.704  1.00  0.00           C  
HETATM    8  C   UNL     1      47.190  15.105   8.433  1.00  0.00           C  
HETATM    9  C   UNL     1      46.164  15.131   9.548  1.00  0.00           C  
HETATM   10  C   UNL     1      40.941  11.513   7.569  1.00  0.00           C  
HETATM   11  C   UNL     1      39.764  12.222   7.385  1.00  0.00           C  
HETATM   12  C   UNL     1      39.814  13.510   6.880  1.00  0.00           C  
HETATM   13  C   UNL     1      41.059  14.055   6.584  1.00  0.00           C  
HETATM   14  C   UNL     1      41.185  15.490   6.102  1.00  0.00           C  
HETATM   15  C   UNL     1      44.712  19.024   8.556  1.00  0.00           C  
HETATM   16  C   UNL     1      45.310  19.797   7.575  1.00  0.00           C  
HETATM   17  C   UNL     1      45.192  17.925   6.111  1.00  0.00           C  
HETATM   18  C   UNL     1      45.495  17.234   4.796  1.00  0.00           C  
HETATM   19  C   UNL     1      44.116  16.695   9.336  1.00  0.00           C  
HETATM   20  C   UNL     1      43.464  11.411   7.359  1.00  0.00           C  
HETATM   21  N   UNL     1      44.579  12.367   7.726  1.00  0.00           N  
HETATM   22  N   UNL     1      46.798  14.147   7.359  1.00  0.00           N  
HETATM   23  N   UNL     1      44.798  15.393   8.986  1.00  0.00           N  
HETATM   24  N   UNL     1      42.205  13.375   6.737  1.00  0.00           N  
HETATM   25  N   UNL     1      44.591  17.178   7.043  1.00  0.00           N  
HETATM   26  O   UNL     1      46.083  17.905   3.920  1.00  0.00           O  
HETATM   27  O   UNL     1      45.160  16.017   4.707  1.00  0.00           O  
HETATM   28  O   UNL     1      40.131  16.148   5.927  1.00  0.00           O  
HETATM   29  O   UNL     1      42.350  15.928   5.934  1.00  0.00           O  
HETATM   30  H   UNL     1      46.049  19.819   5.557  1.00  0.00           H  
HETATM   31  H   UNL     1      43.651  12.178   9.634  1.00  0.00           H  
HETATM   32  H   UNL     1      45.330  12.815   9.669  1.00  0.00           H  
HETATM   33  H   UNL     1      43.340  14.401  10.138  1.00  0.00           H  
HETATM   34  H   UNL     1      43.083  14.341   8.361  1.00  0.00           H  
HETATM   35  H   UNL     1      45.968  11.333   6.491  1.00  0.00           H  
HETATM   36  H   UNL     1      46.043  10.911   8.236  1.00  0.00           H  
HETATM   37  H   UNL     1      47.901  12.377   7.079  1.00  0.00           H  
HETATM   38  H   UNL     1      47.358  12.683   8.763  1.00  0.00           H  
HETATM   39  H   UNL     1      48.162  14.800   8.848  1.00  0.00           H  
HETATM   40  H   UNL     1      47.275  16.113   8.001  1.00  0.00           H  
HETATM   41  H   UNL     1      46.164  14.160  10.065  1.00  0.00           H  
HETATM   42  H   UNL     1      46.423  15.927  10.262  1.00  0.00           H  
HETATM   43  H   UNL     1      40.924  10.510   7.970  1.00  0.00           H  
HETATM   44  H   UNL     1      38.814  11.772   7.634  1.00  0.00           H  
HETATM   45  H   UNL     1      38.909  14.077   6.720  1.00  0.00           H  
HETATM   46  H   UNL     1      44.493  19.439   9.529  1.00  0.00           H  
HETATM   47  H   UNL     1      45.573  20.825   7.777  1.00  0.00           H  
HETATM   48  H   UNL     1      44.499  17.064  10.299  1.00  0.00           H  
HETATM   49  H   UNL     1      43.030  16.534   9.411  1.00  0.00           H  
HETATM   50  H   UNL     1      43.379  10.644   8.143  1.00  0.00           H  
HETATM   51  H   UNL     1      43.708  10.929   6.400  1.00  0.00           H  
HETATM   52  H   UNL     1      47.312  14.373   6.531  1.00  0.00           H  
HETATM   53  H   UNL     1      45.424  15.676   3.861  1.00  0.00           H  
HETATM   54 LU   UNL     1       0.000   0.000   0.000  1.00  0.00          Lu  
CONECT    1   17   17   16   30                                       
CONECT    2   24   20   10   10                                       
CONECT    3   25   25   15   19                                       
CONECT    4   21    5   31   32                                       
CONECT    5   23    4   33   34                                       
CONECT    6    7   21   35   36                                       
CONECT    7   22    6   37   38                                       
CONECT    8   22    9   39   40                                       
CONECT    9    8   23   41   42                                       
CONECT   10    2    2   11   43                                       
CONECT   11   12   12   10   44                                       
CONECT   12   13   11   11   45                                       
CONECT   13   14   24   24   12                                       
CONECT   14   28   28   29   13                                       
CONECT   15   16   16    3   46                                       
CONECT   16    1   15   15   47                                       
CONECT   17   18    1    1   25                                       
CONECT   18   26   26   27   17                                       
CONECT   19    3   23   48   49                                       
CONECT   20    2   21   50   51                                       
CONECT   21   20    6    4   54                                       
CONECT   22    7    8   52                                            
CONECT   23    5   19    9   54                                       
CONECT   24   13   13    2   54                                       
CONECT   25   17    3    3   54                                       
CONECT   26   18   18   54                                            
CONECT   27   18   53                                                 
CONECT   28   14   14                                                 
CONECT   29   14   54                                                 
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   27                                                      
CONECT   54   23   21   24   25                                       
CONECT   54   26   29                                                 
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
