COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.603   1.919   1.180  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.206   1.089   0.385  1.00  0.00           C  
HETATM    3  C   UNL     1       1.209   0.671   0.400  1.00  0.00           C  
HETATM    4  C   UNL     1       2.094   1.228   1.328  1.00  0.00           C  
HETATM    5  C   UNL     1       3.412   0.836   1.340  1.00  0.00           C  
HETATM    6  C   UNL     1       1.666  -0.288  -0.508  1.00  0.00           C  
HETATM    7  C   UNL     1       2.986  -0.676  -0.491  1.00  0.00           C  
HETATM    8  C   UNL     1       3.866  -0.115   0.430  1.00  0.00           C  
HETATM    9  N   UNL     1       5.199  -0.509   0.445  1.00  0.00           N  
HETATM   10  C   UNL     1       5.462  -1.516  -0.593  1.00  0.00           C  
HETATM   11  C   UNL     1       6.917  -1.980  -0.492  1.00  0.00           C  
HETATM   12  N   UNL     1       7.810  -0.823  -0.646  1.00  0.00           N  
HETATM   13  C   UNL     1       9.219  -1.240  -0.631  1.00  0.00           C  
HETATM   14  C   UNL     1       7.547   0.183   0.392  1.00  0.00           C  
HETATM   15  C   UNL     1       6.092   0.648   0.291  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.059   0.547  -0.506  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.422   0.864  -0.454  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.849   2.204  -0.597  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.027   3.089  -0.768  1.00  0.00           O  
HETATM   20  N   UNL     1      -4.160   2.506  -0.547  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.092   1.538  -0.358  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.720   0.232  -0.215  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.353  -0.118  -0.269  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.749  -0.816  -0.008  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.685  -1.109  -1.005  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.625  -2.092  -0.772  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.648  -2.750   0.372  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.783  -2.503   1.338  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.807  -1.541   1.186  1.00  0.00           C  
HETATM   30  H   UNL     1       1.743   1.966   2.034  1.00  0.00           H  
HETATM   31  H   UNL     1       0.983  -0.724  -1.223  1.00  0.00           H  
HETATM   32  H   UNL     1       4.097   1.266   2.057  1.00  0.00           H  
HETATM   33  H   UNL     1       3.339  -1.417  -1.193  1.00  0.00           H  
HETATM   34  H   UNL     1       4.798  -2.368  -0.450  1.00  0.00           H  
HETATM   35  H   UNL     1       5.288  -1.079  -1.576  1.00  0.00           H  
HETATM   36  H   UNL     1       5.924   1.110  -0.682  1.00  0.00           H  
HETATM   37  H   UNL     1       5.887   1.373   1.078  1.00  0.00           H  
HETATM   38  H   UNL     1       7.085  -2.442   0.481  1.00  0.00           H  
HETATM   39  H   UNL     1       7.123  -2.706  -1.280  1.00  0.00           H  
HETATM   40  H   UNL     1       9.401  -1.934  -1.451  1.00  0.00           H  
HETATM   41  H   UNL     1       9.858  -0.364  -0.747  1.00  0.00           H  
HETATM   42  H   UNL     1       9.442  -1.730   0.317  1.00  0.00           H  
HETATM   43  H   UNL     1       7.722  -0.254   1.375  1.00  0.00           H  
HETATM   44  H   UNL     1       8.212   1.035   0.249  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.048  -1.148  -0.161  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.138   1.803  -0.321  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.673  -0.575  -1.943  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.100  -1.347   1.979  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.352  -2.326  -1.535  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.838  -3.065   2.258  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.442   3.428  -0.646  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.729  -0.064  -1.184  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4    6    6                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    8   32                                       
CONECT    6    3    3    7   31                                       
CONECT    7    6    8    8   33                                       
CONECT    8    5    7    7    9                                       
CONECT    9    8   10   15                                            
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   38   39                                       
CONECT   12   11   13   14                                            
CONECT   13   12   40   41   42                                       
CONECT   14   12   15   43   44                                       
CONECT   15    9   14   36   37                                       
CONECT   16    2   17   52                                            
CONECT   17   16   18   23   23                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   51                                            
CONECT   21   20   22   22   46                                       
CONECT   22   21   21   23   24                                       
CONECT   23   17   17   22   45                                       
CONECT   24   22   25   25   29                                       
CONECT   25   24   24   26   47                                       
CONECT   26   25   27   27   49                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   50                                       
CONECT   29   24   28   28   48                                       
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   23                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   29                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   20                                                      
CONECT   52   16                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
