COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.949  -2.015   0.835  1.00  0.00           N  
HETATM    2  CA  UNL     1       5.451  -0.673   1.160  1.00  0.00           C  
HETATM    3  C   UNL     1       6.958  -0.692   1.184  1.00  0.00           C  
HETATM    4  O   UNL     1       7.560  -1.575   0.621  1.00  0.00           O  
HETATM    5  C   UNL     1       4.969   0.320   0.097  1.00  0.00           C  
HETATM    6  C   UNL     1       5.602  -0.012  -1.230  1.00  0.00           C  
HETATM    7  O   UNL     1       4.976  -0.627  -2.060  1.00  0.00           O  
HETATM    8  O   UNL     1       6.860   0.377  -1.489  1.00  0.00           O  
HETATM    9  OXT UNL     1       7.631   0.272   1.832  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.971   0.792  -0.031  1.00  0.00           C  
HETATM   11  C   UNL     1       2.725   1.309   0.058  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.513   0.934   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.883   1.706   0.987  1.00  0.00           C  
HETATM   14  C   UNL     1       3.481  -2.058   0.873  1.00  0.00           C  
HETATM   15  C   UNL     1       0.474   1.822   0.998  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.383  -0.508  -1.967  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.719   0.491  -0.162  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.217   0.336  -0.213  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.789   1.424   0.907  1.00  0.00           C  
HETATM   20  C   UNL     1       0.652   0.399  -0.955  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.945  -0.143  -1.089  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.551  -0.002  -1.046  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.634  -0.869   0.633  1.00  0.00           C  
HETATM   24  C   UNL     1       1.254   1.171   0.030  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.742   0.272  -0.976  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.145   1.271   0.835  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.725  -0.638  -2.001  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.132  -1.024   0.582  1.00  0.00           C  
HETATM   29  C   UNL     1       2.918  -1.122  -0.201  1.00  0.00           C  
HETATM   30  N   UNL     1       3.506   0.213  -0.013  1.00  0.00           N  
HETATM   31  O   UNL     1      -9.798  -0.250  -0.065  1.00  0.00           O  
HETATM   32  O   UNL     1       3.231   2.411   0.144  1.00  0.00           O  
HETATM   33  O   UNL     1      -9.727  -2.022   1.255  1.00  0.00           O  
HETATM   34  H   UNL     1       5.297  -2.325  -0.060  1.00  0.00           H  
HETATM   35  HA  UNL     1       5.075  -0.371   2.137  1.00  0.00           H  
HETATM   36  H   UNL     1       5.244   1.333   0.391  1.00  0.00           H  
HETATM   37  H   UNL     1       7.223   0.141  -2.354  1.00  0.00           H  
HETATM   38  HXT UNL     1       8.596   0.217   1.820  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.473   2.211   1.738  1.00  0.00           H  
HETATM   40  H   UNL     1       3.142  -3.077   0.682  1.00  0.00           H  
HETATM   41  H   UNL     1       3.133  -1.737   1.855  1.00  0.00           H  
HETATM   42  H   UNL     1       0.955   2.420   1.758  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.785  -1.010  -2.714  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.689   1.237   0.180  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.531   0.182  -1.245  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.353   2.032   1.686  1.00  0.00           H  
HETATM   47  H   UNL     1       1.255  -0.101  -1.698  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.405  -0.752  -1.853  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.162  -1.769   0.241  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.320  -0.714   1.665  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.777   1.760   1.561  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.178  -1.243  -2.773  1.00  0.00           H  
HETATM   53  H   UNL     1       3.179  -1.500  -1.190  1.00  0.00           H  
HETATM   54  H   UNL     1       1.834  -1.065  -0.106  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.690  -2.080   1.192  1.00  0.00           H  
CONECT    1    2   14   34                                            
CONECT    2    3    5    1   35                                       
CONECT    3    4    4    2    9                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   30   36                                       
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   37                                                 
CONECT    9    3   38                                                 
CONECT   10   12   19   19   22                                       
CONECT   11   32   32   24   30                                       
CONECT   12   13   25   25   10                                       
CONECT   13   15   15   12   39                                       
CONECT   14    1   29   40   41                                       
CONECT   15   13   13   24   42                                       
CONECT   16   25   27   27   43                                       
CONECT   17   26   26   21   18                                       
CONECT   18   17   23   44   45                                       
CONECT   19   10   10   26   46                                       
CONECT   20   24   24   25   47                                       
CONECT   21   22   22   17   48                                       
CONECT   22   10   27   21   21                                       
CONECT   23   18   28   49   50                                       
CONECT   24   11   15   20   20                                       
CONECT   25   20   12   12   16                                       
CONECT   26   19   17   17   51                                       
CONECT   27   16   16   22   52                                       
CONECT   28   31   31   23   33                                       
CONECT   29   30   14   53   54                                       
CONECT   30   11    5   29                                            
CONECT   31   28   28                                                 
CONECT   32   11   11                                                 
CONECT   33   28   55                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
