COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.526  -0.711   1.822  1.00  0.00           N  
HETATM    2  CA  UNL     1       3.905   0.456   1.015  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.380  -0.040   0.566  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.835   1.237   0.608  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.306   1.897  -0.337  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.600  -1.128   0.302  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.502   1.435   0.384  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.642   1.771  -0.105  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.396  -2.067  -0.216  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.077  -1.914  -0.448  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.092  -0.496  -0.649  1.00  0.00           C  
HETATM   12  C   UNL     1       2.075  -0.756   2.047  1.00  0.00           C  
HETATM   13  C   UNL     1       1.358  -0.919   0.702  1.00  0.00           C  
HETATM   14  C   UNL     1       0.930   0.925  -0.858  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.518   0.767  -0.608  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.229  -0.959   0.062  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.463  -0.640  -0.407  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.677   0.342   0.111  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.242   0.509  -0.135  1.00  0.00           C  
HETATM   20  C   UNL     1       5.404   0.505   0.873  1.00  0.00           C  
HETATM   21  O   UNL     1       6.061  -0.491   1.059  1.00  0.00           O  
HETATM   22  N   UNL     1       1.815   0.148  -0.202  1.00  0.00           N  
HETATM   23  O   UNL     1       1.323   1.755  -1.654  1.00  0.00           O  
HETATM   24  C   UNL     1       3.263   0.344  -0.372  1.00  0.00           C  
HETATM   25  C   UNL     1       3.850  -0.833  -1.108  1.00  0.00           C  
HETATM   26  O   UNL     1       3.245  -1.878  -1.157  1.00  0.00           O  
HETATM   27  O   UNL     1       5.044  -0.720  -1.709  1.00  0.00           O  
HETATM   28  OXT UNL     1       6.010   1.656   0.539  1.00  0.00           O  
HETATM   29  H   UNL     1       3.853  -1.566   1.397  1.00  0.00           H  
HETATM   30  HA  UNL     1       3.556   1.365   1.504  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.436  -0.175   0.749  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.472   2.083   0.818  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.848   2.875  -0.313  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.036  -2.115   0.277  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.087   2.431   0.424  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.238   2.647   0.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.826  -3.058  -0.243  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.473  -2.785  -0.656  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.486  -1.361  -0.872  1.00  0.00           H  
HETATM   40  H   UNL     1       1.833  -1.601   2.692  1.00  0.00           H  
HETATM   41  H   UNL     1       1.752   0.170   2.522  1.00  0.00           H  
HETATM   42  H   UNL     1       1.600  -1.891   0.273  1.00  0.00           H  
HETATM   43  H   UNL     1       0.281  -0.841   0.850  1.00  0.00           H  
HETATM   44  H   UNL     1       3.447   1.258  -0.937  1.00  0.00           H  
HETATM   45  H   UNL     1       5.380  -1.502  -2.169  1.00  0.00           H  
HETATM   46  HXT UNL     1       6.973   1.638   0.460  1.00  0.00           H  
CONECT    1    2   12   29                                            
CONECT    2   20   24    1   30                                       
CONECT    3    4    4    6   31                                       
CONECT    4    7    3    3   32                                       
CONECT    5    8    8   15   33                                       
CONECT    6   16   16    3   34                                       
CONECT    7   18   18    4   35                                       
CONECT    8    5    5   19   36                                       
CONECT    9   10   10   16   37                                       
CONECT   10   17    9    9   38                                       
CONECT   11   15   15   17   39                                       
CONECT   12   13    1   40   41                                       
CONECT   13   22   12   42   43                                       
CONECT   14   23   23   15   22                                       
CONECT   15   14    5   11   11                                       
CONECT   16   18    9    6    6                                       
CONECT   17   11   19   19   10                                       
CONECT   18   19    7    7   16                                       
CONECT   19    8   17   17   18                                       
CONECT   20   21   21    2   28                                       
CONECT   21   20   20                                                 
CONECT   22   14   24   13                                            
CONECT   23   14   14                                                 
CONECT   24   25    2   22   44                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   45                                                 
CONECT   28   20   46                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
