COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.045   1.125   0.715  1.00  0.00           C  
HETATM    2  C   UNL     1       1.495  -1.548   0.576  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.088  -0.218   0.366  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.142  -0.702  -0.378  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.885   3.726   1.446  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.951  -1.097   0.821  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.907  -2.850  -0.700  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.262  -2.149  -0.777  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.176   1.762  -1.593  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.053  -3.445   1.528  1.00  0.00           C  
HETATM   11  C   UNL     1       0.312  -0.745   0.031  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.292  -2.505   0.592  1.00  0.00           N  
HETATM   13  N   UNL     1       4.373  -1.259  -1.701  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.055   1.986   0.324  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.152   0.162  -0.783  1.00  0.00           C  
HETATM   16  C   UNL     1       2.738  -1.201  -0.201  1.00  0.00           C  
HETATM   17  C   UNL     1       3.231  -1.868  -1.257  1.00  0.00           C  
HETATM   18  C   UNL     1       4.653  -0.161  -0.919  1.00  0.00           C  
HETATM   19  C   UNL     1       3.640  -0.075   0.054  1.00  0.00           C  
HETATM   20  C   UNL     1       5.671   0.787  -0.927  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.119   1.498  -0.429  1.00  0.00           C  
HETATM   22  C   UNL     1       5.676   1.795   0.012  1.00  0.00           C  
HETATM   23  C   UNL     1       4.674   1.874   0.970  1.00  0.00           C  
HETATM   24  C   UNL     1       3.663   0.955   0.995  1.00  0.00           C  
HETATM   25  C   UNL     1       6.780   2.820   0.001  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.117   2.334  -0.823  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.008   3.299   0.673  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.345  -4.603   1.313  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.219   1.501   1.300  1.00  0.00           H  
HETATM   30  H   UNL     1       1.645  -1.305   1.628  1.00  0.00           H  
HETATM   31  H   UNL     1       1.288  -2.613   0.475  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.971   4.792   1.655  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.859   3.172   2.385  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.968   3.538   0.888  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.770  -0.936   1.883  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.045  -3.929  -0.766  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.268  -2.510  -1.515  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.963  -2.649  -0.108  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.639  -2.209  -1.799  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.904   2.535  -1.841  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.770   1.338  -2.511  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.663   0.978  -1.014  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.601  -3.168   2.469  1.00  0.00           H  
HETATM   44  H   UNL     1       0.518   0.320   0.132  1.00  0.00           H  
HETATM   45  H   UNL     1       0.162  -0.988  -1.021  1.00  0.00           H  
HETATM   46  H   UNL     1       4.909  -1.558  -2.453  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.975  -0.215  -1.372  1.00  0.00           H  
HETATM   48  H   UNL     1       2.791  -2.753  -1.692  1.00  0.00           H  
HETATM   49  H   UNL     1       6.455   0.733  -1.668  1.00  0.00           H  
HETATM   50  H   UNL     1       4.692   2.671   1.699  1.00  0.00           H  
HETATM   51  H   UNL     1       2.887   1.024   1.743  1.00  0.00           H  
HETATM   52  H   UNL     1       6.490   3.658  -0.633  1.00  0.00           H  
HETATM   53  H   UNL     1       6.956   3.176   1.016  1.00  0.00           H  
HETATM   54  H   UNL     1       7.692   2.368  -0.389  1.00  0.00           H  
CONECT    1   14    3    3   29                                       
CONECT    2   11   16   30   31                                       
CONECT    3    1    1    4    6                                       
CONECT    4   15   15    3    8                                       
CONECT    5   27   32   33   34                                       
CONECT    6    3   12   11   35                                       
CONECT    7    8   12   36   37                                       
CONECT    8    4    7   38   39                                       
CONECT    9   26   40   41   42                                       
CONECT   10   12   28   28   43                                       
CONECT   11    6    2   44   45                                       
CONECT   12    6    7   10                                            
CONECT   13   18   17   46                                            
CONECT   14   27   21   21    1                                       
CONECT   15   21    4    4   47                                       
CONECT   16    2   19   17   17                                       
CONECT   17   16   16   13   48                                       
CONECT   18   19   19   20   13                                       
CONECT   19   24   16   18   18                                       
CONECT   20   22   22   18   49                                       
CONECT   21   26   14   14   15                                       
CONECT   22   23   25   20   20                                       
CONECT   23   24   24   22   50                                       
CONECT   24   23   23   19   51                                       
CONECT   25   22   52   53   54                                       
CONECT   26    9   21                                                 
CONECT   27    5   14                                                 
CONECT   28   10   10                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
