COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.091  -0.602  -0.268  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.398  -2.509   1.224  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.463  -0.581   0.239  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.213  -1.232   0.232  1.00  0.00           C  
HETATM    5  C   UNL     1       1.199  -1.297  -0.272  1.00  0.00           C  
HETATM    6  C   UNL     1       2.315  -0.285  -0.263  1.00  0.00           C  
HETATM    7  C   UNL     1       2.211   0.864  -1.024  1.00  0.00           C  
HETATM    8  C   UNL     1       4.366   1.577  -0.252  1.00  0.00           C  
HETATM    9  C   UNL     1       6.739   0.961   0.978  1.00  0.00           C  
HETATM   10  C   UNL     1       1.306  -2.164  -1.528  1.00  0.00           C  
HETATM   11  C   UNL     1       2.653  -2.891  -1.532  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.661   2.904  -0.699  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.123   1.899  -0.191  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.435   1.841   0.116  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.303   2.988  -0.162  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.253   0.750   0.087  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.656  -0.445   0.659  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.575  -1.273   0.761  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.919   0.687  -0.176  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.211  -3.075   1.196  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.141  -2.467   0.718  1.00  0.00           N  
HETATM   22  C   UNL     1       0.173  -3.192  -1.536  1.00  0.00           C  
HETATM   23  C   UNL     1       3.439  -0.504   0.511  1.00  0.00           C  
HETATM   24  C   UNL     1       4.468   0.425   0.520  1.00  0.00           C  
HETATM   25  O   UNL     1       5.569   0.196   1.287  1.00  0.00           O  
HETATM   26  C   UNL     1       6.321   2.427   0.803  1.00  0.00           C  
HETATM   27  O   UNL     1       5.367   2.500  -0.261  1.00  0.00           O  
HETATM   28  C   UNL     1       3.233   1.794  -1.020  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.157   0.300  -0.620  1.00  0.00           H  
HETATM   30  H   UNL     1       1.274  -1.929   0.613  1.00  0.00           H  
HETATM   31  H   UNL     1       1.329   1.035  -1.624  1.00  0.00           H  
HETATM   32  H   UNL     1       7.458   0.879   1.794  1.00  0.00           H  
HETATM   33  H   UNL     1       7.186   0.592   0.055  1.00  0.00           H  
HETATM   34  H   UNL     1       1.231  -1.533  -2.413  1.00  0.00           H  
HETATM   35  H   UNL     1       2.728  -3.522  -0.646  1.00  0.00           H  
HETATM   36  H   UNL     1       2.730  -3.509  -2.426  1.00  0.00           H  
HETATM   37  H   UNL     1       3.461  -2.158  -1.526  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.803   1.040   0.521  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.321   2.757   0.153  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.942   3.858   0.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.292   3.201  -1.230  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.559  -0.658   0.942  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.319   1.466  -0.623  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.106  -4.079   1.581  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.787  -2.675  -1.533  1.00  0.00           H  
HETATM   46  H   UNL     1       0.250  -3.810  -2.431  1.00  0.00           H  
HETATM   47  H   UNL     1       0.248  -3.823  -0.651  1.00  0.00           H  
HETATM   48  H   UNL     1       3.516  -1.400   1.108  1.00  0.00           H  
HETATM   49  H   UNL     1       5.868   2.793   1.724  1.00  0.00           H  
HETATM   50  H   UNL     1       7.194   3.031   0.558  1.00  0.00           H  
HETATM   51  H   UNL     1       3.149   2.691  -1.616  1.00  0.00           H  
CONECT    1    4    5   29                                            
CONECT    2   20   18   18                                            
CONECT    3   19    4    4   18                                       
CONECT    4    3    3    1   21                                       
CONECT    5    1    6   10   30                                       
CONECT    6    5    7    7   23                                       
CONECT    7    6    6   28   31                                       
CONECT    8   28   28   24   27                                       
CONECT    9   25   26   32   33                                       
CONECT   10    5   22   11   34                                       
CONECT   11   10   35   36   37                                       
CONECT   12   13   13                                                 
CONECT   13   14   12   12   16                                       
CONECT   14   15   13   38                                            
CONECT   15   14   39   40   41                                       
CONECT   16   13   19   19   17                                       
CONECT   17   18   16   42                                            
CONECT   18    2    2    3   17                                       
CONECT   19   16   16    3   43                                       
CONECT   20   21   21    2   44                                       
CONECT   21    4   20   20                                            
CONECT   22   10   45   46   47                                       
CONECT   23   24   24    6   48                                       
CONECT   24    8   23   23   25                                       
CONECT   25   24    9                                                 
CONECT   26    9   27   49   50                                       
CONECT   27   26    8                                                 
CONECT   28    7    8    8   51                                       
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
