COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.508  -4.162  -1.603  1.00  0.00           N  
HETATM    2  C   UNL     1       4.145  -3.211  -1.099  1.00  0.00           C  
HETATM    3  C   UNL     1       3.687  -2.012  -0.463  1.00  0.00           C  
HETATM    4  C   UNL     1       4.607  -1.076   0.013  1.00  0.00           C  
HETATM    5  C   UNL     1       4.162   0.078   0.625  1.00  0.00           C  
HETATM    6  C   UNL     1       5.157   1.088   1.138  1.00  0.00           C  
HETATM    7  C   UNL     1       5.472   2.099   0.034  1.00  0.00           C  
HETATM    8  N   UNL     1       6.442   3.083   0.533  1.00  0.00           N  
HETATM    9  C   UNL     1       6.769   4.072  -0.502  1.00  0.00           C  
HETATM   10  C   UNL     1       2.319  -1.773  -0.321  1.00  0.00           C  
HETATM   11  C   UNL     1       1.884  -0.611   0.294  1.00  0.00           C  
HETATM   12  C   UNL     1       2.807   0.311   0.769  1.00  0.00           C  
HETATM   13  O   UNL     1       0.553  -0.374   0.434  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.340  -1.366  -0.077  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.763  -0.934   0.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.407  -0.190  -0.775  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.400  -1.306   1.347  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.688  -0.936   1.592  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.382  -0.169   0.645  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.716   0.233   0.864  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.440  -0.148   2.129  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.332   0.976  -0.097  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.638   1.321  -1.266  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.279   2.078  -2.235  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.393   0.942  -1.465  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.734   0.216  -0.554  1.00  0.00           C  
HETATM   27  H   UNL     1       5.666  -1.255  -0.097  1.00  0.00           H  
HETATM   28  H   UNL     1       4.735   1.608   1.997  1.00  0.00           H  
HETATM   29  H   UNL     1       6.072   0.577   1.435  1.00  0.00           H  
HETATM   30  H   UNL     1       5.894   1.578  -0.826  1.00  0.00           H  
HETATM   31  H   UNL     1       4.556   2.609  -0.264  1.00  0.00           H  
HETATM   32  H   UNL     1       6.101   3.534   1.369  1.00  0.00           H  
HETATM   33  H   UNL     1       7.199   3.565  -1.366  1.00  0.00           H  
HETATM   34  H   UNL     1       5.862   4.596  -0.804  1.00  0.00           H  
HETATM   35  H   UNL     1       7.488   4.788  -0.106  1.00  0.00           H  
HETATM   36  H   UNL     1       1.603  -2.491  -0.691  1.00  0.00           H  
HETATM   37  H   UNL     1       2.464   1.216   1.249  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.174  -1.486  -1.148  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.156  -2.315   0.427  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.901   0.087  -1.688  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.866  -1.897   2.077  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.173  -1.235   2.510  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.949  -1.101   1.983  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.723  -0.241   2.945  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.173   0.621   2.375  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.353   1.300   0.041  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.196   2.363  -2.100  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.810   2.323  -3.048  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2   10   10    4                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4   12    6                                       
CONECT    6    5    7   28   29                                       
CONECT    7    6    8   30   31                                       
CONECT    8    7    9   32                                            
CONECT    9    8   33   34   35                                       
CONECT   10    3    3   11   36                                       
CONECT   11   10   13   12   12                                       
CONECT   12   11   11    5   37                                       
CONECT   13   11   14                                                 
CONECT   14   15   13   38   39                                       
CONECT   15   17   17   16   14                                       
CONECT   16   26   26   15   40                                       
CONECT   17   18   15   15   41                                       
CONECT   18   19   19   17   42                                       
CONECT   19   20   18   18   26                                       
CONECT   20   21   22   22   19                                       
CONECT   21   20   43   44   45                                       
CONECT   22   20   20   23   46                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   47   48                                            
CONECT   25   23   23   26                                            
CONECT   26   19   25   16   16                                       
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
