COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.196   2.234   0.150  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.875   3.434   0.215  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.177  -0.249  -0.067  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.269  -2.524  -0.265  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.954  -2.651  -0.203  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.150  -1.510  -0.062  1.00  0.00           C  
HETATM    7  N   UNL     1       0.240  -1.612   0.006  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.782  -0.274   0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       0.738  -1.165   1.314  1.00  0.00           C  
HETATM   10  C   UNL     1       2.238  -1.461   1.415  1.00  0.00           C  
HETATM   11  C   UNL     1       2.383  -1.153  -1.087  1.00  0.00           C  
HETATM   12  N   UNL     1       2.912  -0.860   0.254  1.00  0.00           N  
HETATM   13  C   UNL     1       0.877  -0.869  -1.089  1.00  0.00           C  
HETATM   14  C   UNL     1       3.986  -0.061   0.415  1.00  0.00           C  
HETATM   15  C   UNL     1       5.740   1.330  -0.412  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.370  -3.913  -0.278  1.00  0.00           N  
HETATM   17  O   UNL     1       4.409   0.171   1.530  1.00  0.00           O  
HETATM   18  O   UNL     1       4.589   0.480  -0.660  1.00  0.00           O  
HETATM   19  C   UNL     1       6.824   0.524   0.306  1.00  0.00           C  
HETATM   20  C   UNL     1       6.287   1.849  -1.743  1.00  0.00           C  
HETATM   21  C   UNL     1       5.320   2.513   0.463  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.852  -1.383  -0.200  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.902   1.042   0.009  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.299   1.069  -0.059  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.997  -0.089  -0.196  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.969   2.280   0.013  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.257   3.457   0.142  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.117   2.220   0.203  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.327   4.358   0.324  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.213   0.638   0.117  1.00  0.00           H  
HETATM   31  H   UNL     1       0.571  -0.093   1.419  1.00  0.00           H  
HETATM   32  H   UNL     1       0.208  -1.695   2.106  1.00  0.00           H  
HETATM   33  H   UNL     1       2.635  -1.030   2.333  1.00  0.00           H  
HETATM   34  H   UNL     1       2.399  -2.539   1.414  1.00  0.00           H  
HETATM   35  H   UNL     1       2.877  -0.518  -1.822  1.00  0.00           H  
HETATM   36  H   UNL     1       2.561  -2.201  -1.329  1.00  0.00           H  
HETATM   37  H   UNL     1       0.449  -1.185  -2.040  1.00  0.00           H  
HETATM   38  H   UNL     1       0.709   0.199  -0.950  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.927  -4.701  -0.376  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.405  -4.004  -0.232  1.00  0.00           H  
HETATM   41  H   UNL     1       7.688   1.162   0.492  1.00  0.00           H  
HETATM   42  H   UNL     1       6.434   0.154   1.254  1.00  0.00           H  
HETATM   43  H   UNL     1       7.123  -0.319  -0.317  1.00  0.00           H  
HETATM   44  H   UNL     1       6.586   1.006  -2.366  1.00  0.00           H  
HETATM   45  H   UNL     1       5.514   2.423  -2.255  1.00  0.00           H  
HETATM   46  H   UNL     1       7.151   2.487  -1.557  1.00  0.00           H  
HETATM   47  H   UNL     1       6.184   3.151   0.649  1.00  0.00           H  
HETATM   48  H   UNL     1       4.548   3.087  -0.049  1.00  0.00           H  
HETATM   49  H   UNL     1       4.930   2.143   1.411  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.244  -0.501   0.643  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.047   2.304  -0.040  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.782   4.400   0.195  1.00  0.00           H  
CONECT    1    2   23   23   28                                       
CONECT    2   27   27    1   29                                       
CONECT    3   23   22   22    8                                       
CONECT    4   22    5    5                                            
CONECT    5    4    4    6   16                                       
CONECT    6    8    8    5    7                                       
CONECT    7    6    9   13                                            
CONECT    8    3    6    6   30                                       
CONECT    9   10    7   31   32                                       
CONECT   10    9   12   33   34                                       
CONECT   11   12   13   35   36                                       
CONECT   12   10   11   14                                            
CONECT   13    7   11   37   38                                       
CONECT   14   12   17   17   18                                       
CONECT   15   18   21   19   20                                       
CONECT   16    5   39   40                                            
CONECT   17   14   14                                                 
CONECT   18   14   15                                                 
CONECT   19   15   41   42   43                                       
CONECT   20   15   44   45   46                                       
CONECT   21   15   47   48   49                                       
CONECT   22    3    3    4                                            
CONECT   23    1    1   24    3                                       
CONECT   24   26   26   23   25                                       
CONECT   25   24   50                                                 
CONECT   26   27   24   24   51                                       
CONECT   27    2    2   26   52                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
