COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.439  -0.018   0.130  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.751  -0.445  -0.399  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.142  -0.615  -0.212  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.174  -1.249  -1.400  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.836  -1.120  -1.640  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.105   2.405  -0.846  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.043   3.424  -0.192  1.00  0.00           C  
HETATM    8  C   UNL     1       2.175   3.699   1.399  1.00  0.00           C  
HETATM    9  C   UNL     1       1.620   2.278   1.281  1.00  0.00           C  
HETATM   10  C   UNL     1       0.310   2.311   0.537  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.549   1.214   0.586  1.00  0.00           C  
HETATM   12  CA  UNL     1      -1.595  -0.750   0.947  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.860  -2.106   1.449  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.910  -0.195   0.318  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.768   1.265  -0.113  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.248   3.468  -0.881  1.00  0.00           C  
HETATM   17  C   UNL     1       3.254   0.247   1.087  1.00  0.00           C  
HETATM   18  C   UNL     1       4.122  -0.226  -0.084  1.00  0.00           C  
HETATM   19  C   UNL     1       5.592  -0.484   0.245  1.00  0.00           C  
HETATM   20  C   UNL     1       5.509  -1.677  -0.726  1.00  0.00           C  
HETATM   21  C   UNL     1       6.247  -2.922  -0.230  1.00  0.00           C  
HETATM   22  C   UNL     1       3.996  -1.705  -0.445  1.00  0.00           C  
HETATM   23  C   UNL     1       2.974   1.633  -0.716  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.471  -0.007   1.214  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.993  -1.498  -2.107  1.00  0.00           N  
HETATM   26  N   UNL     1       2.575   1.441   0.551  1.00  0.00           N  
HETATM   27  N   UNL     1       6.213  -3.958  -1.271  1.00  0.00           N  
HETATM   28  OXT UNL     1      -0.958  -2.719   2.242  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.891  -2.674   1.149  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.178  -0.406   0.400  1.00  0.00           O  
HETATM   31  O   UNL     1       3.861   0.718  -1.150  1.00  0.00           O  
HETATM   32  O   UNL     1       2.573   2.548  -1.407  1.00  0.00           O  
HETATM   33  H   UNL     1      -7.023  -1.540  -1.768  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.937  -1.323  -2.203  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.041   2.447  -1.384  1.00  0.00           H  
HETATM   36  H   UNL     1       0.625   4.272  -0.229  1.00  0.00           H  
HETATM   37  H   UNL     1       1.464   4.323   1.942  1.00  0.00           H  
HETATM   38  H   UNL     1       3.122   3.676   1.937  1.00  0.00           H  
HETATM   39  H   UNL     1       2.332   4.112   0.402  1.00  0.00           H  
HETATM   40  H   UNL     1       1.462   1.866   2.277  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.867   0.315   1.269  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.509   4.350  -1.447  1.00  0.00           H  
HETATM   43  H   UNL     1       2.527  -0.518   1.360  1.00  0.00           H  
HETATM   44  H   UNL     1       3.874   0.511   1.944  1.00  0.00           H  
HETATM   45  H   UNL     1       6.261   0.308  -0.091  1.00  0.00           H  
HETATM   46  H   UNL     1       5.764  -0.775   1.281  1.00  0.00           H  
HETATM   47  H   UNL     1       5.757  -1.419  -1.755  1.00  0.00           H  
HETATM   48  H   UNL     1       7.283  -2.665  -0.007  1.00  0.00           H  
HETATM   49  H   UNL     1       5.763  -3.296   0.672  1.00  0.00           H  
HETATM   50  H   UNL     1       3.719  -2.339   0.397  1.00  0.00           H  
HETATM   51  H   UNL     1       3.390  -1.888  -1.332  1.00  0.00           H  
HETATM   52  H   UNL     1       0.271  -0.301   1.765  1.00  0.00           H  
HETATM   53  H   UNL     1       6.598  -3.613  -2.137  1.00  0.00           H  
HETATM   54  H   UNL     1       6.694  -4.791  -0.967  1.00  0.00           H  
HETATM   55  HXT UNL     1      -1.176  -3.610   2.547  1.00  0.00           H  
CONECT    1    2   12   12   15                                       
CONECT    2   14   14    5    1                                       
CONECT    3   30   30    4   14                                       
CONECT    4    3   25   33                                            
CONECT    5   25   25    2   34                                       
CONECT    6   15   15   16   35                                       
CONECT    7   16   16   10   36                                       
CONECT    8    9   37   38   39                                       
CONECT    9   10   26    8   40                                       
CONECT   10   11   11    7    9                                       
CONECT   11   15   24   10   10                                       
CONECT   12   13    1    1   24                                       
CONECT   13   29   29   12   28                                       
CONECT   14    3    2    2   41                                       
CONECT   15    1    6    6   11                                       
CONECT   16    6    7    7   42                                       
CONECT   17   26   18   43   44                                       
CONECT   18   31   19   17   22                                       
CONECT   19   18   20   45   46                                       
CONECT   20   19   22   21   47                                       
CONECT   21   20   27   48   49                                       
CONECT   22   18   20   50   51                                       
CONECT   23   32   32   31   26                                       
CONECT   24   12   11   52                                            
CONECT   25    4    5    5                                            
CONECT   26   23    9   17                                            
CONECT   27   21   53   54                                            
CONECT   28   13   55                                                 
CONECT   29   13   13                                                 
CONECT   30    3    3                                                 
CONECT   31   23   18                                                 
CONECT   32   23   23                                                 
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
