COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.932   0.135  -0.138  1.00  0.00           N  
HETATM    2  C   UNL     1       0.499  -0.030  -0.336  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.725   0.599  -0.595  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.893  -0.120  -0.550  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.888  -1.479  -0.254  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.098  -0.924  -0.161  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.649   0.425  -2.260  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.237   3.252   0.584  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.988   3.352   1.398  1.00  0.00           C  
HETATM   10  C   UNL     1       1.756   0.743  -0.387  1.00  0.00           C  
HETATM   11  C   UNL     1       6.290   1.743   1.150  1.00  0.00           C  
HETATM   12  C   UNL     1       6.704   0.937  -0.959  1.00  0.00           C  
HETATM   13  C   UNL     1       5.469   0.133  -0.482  1.00  0.00           C  
HETATM   14  O   UNL     1       1.730   1.929  -0.655  1.00  0.00           O  
HETATM   15  C   UNL     1       4.179   0.902  -0.188  1.00  0.00           C  
HETATM   16  O   UNL     1       6.674   2.153  -0.180  1.00  0.00           O  
HETATM   17  C   UNL     1       5.192   0.678   0.937  1.00  0.00           C  
HETATM   18  C   UNL     1       0.525  -1.387  -0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.340   0.280  -0.768  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.666   1.551  -0.027  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.688   2.189   0.714  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.263   3.883   1.334  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.939   2.086  -0.097  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.145  -1.993  -0.279  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.660  -2.115   0.014  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.631  -3.552   0.349  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.666  -4.189   0.383  1.00  0.00           O  
HETATM   28  N   UNL     1       0.542  -4.159   0.616  1.00  0.00           N  
HETATM   29  C   UNL     1       0.571  -5.585   0.947  1.00  0.00           C  
HETATM   30  H   UNL     1       2.953  -0.810   0.080  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.749   1.653  -0.831  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.343  -0.738   0.885  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.000  -1.141  -0.734  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.469  -0.525  -2.762  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.693   0.712  -2.389  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.005   1.192  -2.691  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.233   3.666   0.533  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.227   3.845   1.984  1.00  0.00           H  
HETATM   39  H   UNL     1       7.142   1.310   1.675  1.00  0.00           H  
HETATM   40  H   UNL     1       5.893   2.591   1.709  1.00  0.00           H  
HETATM   41  H   UNL     1       7.620   0.380  -0.758  1.00  0.00           H  
HETATM   42  H   UNL     1       6.622   1.164  -2.022  1.00  0.00           H  
HETATM   43  H   UNL     1       5.422  -0.926  -0.736  1.00  0.00           H  
HETATM   44  H   UNL     1       4.094   1.911  -0.591  1.00  0.00           H  
HETATM   45  H   UNL     1       4.938   0.027   1.773  1.00  0.00           H  
HETATM   46  H   UNL     1       1.465  -1.876   0.183  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.691   1.776   0.761  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.497   4.791   1.869  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.700   1.592  -0.683  1.00  0.00           H  
HETATM   50  H   UNL     1       1.368  -3.651   0.588  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.027  -5.762   1.842  1.00  0.00           H  
HETATM   52  H   UNL     1       0.160  -6.160   0.117  1.00  0.00           H  
HETATM   53  H   UNL     1       1.599  -5.895   1.131  1.00  0.00           H  
CONECT    1   10   15   30                                            
CONECT    2   18   10    3    3                                       
CONECT    3    2    2    4   31                                       
CONECT    4    5    5    3   19                                       
CONECT    5   25   24    4    4                                       
CONECT    6   24   19   32   33                                       
CONECT    7   19   34   35   36                                       
CONECT    8   23   22   22   37                                       
CONECT    9   21   21   22   38                                       
CONECT   10    2    1   14   14                                       
CONECT   11   16   17   39   40                                       
CONECT   12   13   16   41   42                                       
CONECT   13   12   15   17   43                                       
CONECT   14   10   10                                                 
CONECT   15    1   13   17   44                                       
CONECT   16   12   11                                                 
CONECT   17   13   15   11   45                                       
CONECT   18   25   25    2   46                                       
CONECT   19    6    4    7   20                                       
CONECT   20   19   23   23   21                                       
CONECT   21   20    9    9   47                                       
CONECT   22    8    8    9   48                                       
CONECT   23   20   20    8   49                                       
CONECT   24    5    6                                                 
CONECT   25   26   18   18    5                                       
CONECT   26   27   27   28   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   50                                            
CONECT   29   28   51   52   53                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
