COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.312   0.590  -2.056  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.867   0.993  -1.003  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.028   0.210  -0.015  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.763   1.163   1.075  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.384   2.338   0.729  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.017   2.227  -0.484  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.370   3.418   1.455  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.763   3.310  -1.130  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.796  -0.979   0.501  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.813  -1.257   1.855  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.517  -2.348   2.328  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.204  -3.163   1.447  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.187  -2.885   0.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.488  -1.790  -0.379  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.737  -0.231  -0.654  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.761  -0.918  -1.855  1.00  0.00           C  
HETATM   17  C   UNL     1       0.421  -1.321  -2.450  1.00  0.00           C  
HETATM   18  C   UNL     1       1.630  -1.041  -1.849  1.00  0.00           C  
HETATM   19  C   UNL     1       1.660  -0.350  -0.639  1.00  0.00           C  
HETATM   20  C   UNL     1       0.467   0.054  -0.044  1.00  0.00           C  
HETATM   21  C   UNL     1       5.379   0.529   1.235  1.00  0.00           C  
HETATM   22  C   UNL     1       4.150  -0.449  -0.583  1.00  0.00           C  
HETATM   23  C   UNL     1       2.958  -0.045   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1       2.988   0.657   1.216  1.00  0.00           C  
HETATM   25  C   UNL     1       4.196   0.935   1.823  1.00  0.00           C  
HETATM   26  C   UNL     1       5.359  -0.161   0.030  1.00  0.00           C  
HETATM   27  O   UNL     1       6.524  -0.553  -0.549  1.00  0.00           O  
HETATM   28  C   UNL     1       7.733  -0.221   0.138  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.831   4.214   1.148  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.805   3.273  -0.812  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.330   4.269  -0.846  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.709   3.193  -2.213  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.277  -0.621   2.543  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.530  -2.565   3.386  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.750  -4.018   1.816  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.723  -3.522  -0.595  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.474  -1.574  -1.437  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.706  -1.140  -2.329  1.00  0.00           H  
HETATM   39  H   UNL     1       0.396  -1.857  -3.388  1.00  0.00           H  
HETATM   40  H   UNL     1       2.552  -1.357  -2.314  1.00  0.00           H  
HETATM   41  H   UNL     1       0.485   0.594   0.891  1.00  0.00           H  
HETATM   42  H   UNL     1       6.322   0.753   1.711  1.00  0.00           H  
HETATM   43  H   UNL     1       4.133  -0.985  -1.520  1.00  0.00           H  
HETATM   44  H   UNL     1       2.066   0.979   1.676  1.00  0.00           H  
HETATM   45  H   UNL     1       4.218   1.471   2.761  1.00  0.00           H  
HETATM   46  H   UNL     1       8.587  -0.591  -0.430  1.00  0.00           H  
HETATM   47  H   UNL     1       7.807   0.861   0.242  1.00  0.00           H  
HETATM   48  H   UNL     1       7.727  -0.682   1.126  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.249   0.994   1.881  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    6                                       
CONECT    3   15    9    4    2                                       
CONECT    4    3    5   49                                            
CONECT    5    4    6    7    7                                       
CONECT    6    2    5    8                                            
CONECT    7    5    5   29                                            
CONECT    8    6   30   31   32                                       
CONECT    9   14   14   10    3                                       
CONECT   10   11   11    9   33                                       
CONECT   11   12   10   10   34                                       
CONECT   12   13   13   11   35                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13    9    9   37                                       
CONECT   15   16   16   20    3                                       
CONECT   16   17   15   15   38                                       
CONECT   17   18   18   16   39                                       
CONECT   18   17   17   19   40                                       
CONECT   19   18   23   20   20                                       
CONECT   20   19   19   15   41                                       
CONECT   21   25   25   26   42                                       
CONECT   22   23   26   26   43                                       
CONECT   23   19   24   24   22                                       
CONECT   24   23   23   25   44                                       
CONECT   25   24   21   21   45                                       
CONECT   26   22   22   21   27                                       
CONECT   27   26   28                                                 
CONECT   28   27   46   47   48                                       
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49    4                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
