COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.520  -1.837  -0.499  1.00  0.00           O  
HETATM    2  O   UNL     1       0.821   3.078   1.146  1.00  0.00           O  
HETATM    3  O   UNL     1       4.439   1.019  -0.361  1.00  0.00           O  
HETATM    4  C   UNL     1       3.443  -1.132   0.121  1.00  0.00           C  
HETATM    5  C   UNL     1       3.264   0.230  -0.558  1.00  0.00           C  
HETATM    6  N   UNL     1       1.833   2.214  -0.629  1.00  0.00           N  
HETATM    7  C   UNL     1       2.151  -1.940  -0.027  1.00  0.00           C  
HETATM    8  C   UNL     1       2.059   0.943   0.062  1.00  0.00           C  
HETATM    9  C   UNL     1       1.202   3.223   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1       2.300  -3.278   0.700  1.00  0.00           C  
HETATM   11  C   UNL     1       0.820   0.055  -0.083  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.533  -0.006   0.366  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.472   0.240   1.588  1.00  0.00           C  
HETATM   14  C   UNL     1       0.970   4.531  -0.707  1.00  0.00           C  
HETATM   15  O   UNL     1       1.140  -4.080   0.465  1.00  0.00           O  
HETATM   16  O   UNL     1       1.064  -1.207   0.542  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.297   0.689   0.542  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.653  -0.752   1.369  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.329  -0.252   0.062  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.815  -1.178  -1.033  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.263  -2.272  -1.287  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.792  -0.595  -1.672  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.299   0.561  -0.854  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.629   1.116  -0.240  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.157   1.586   1.171  1.00  0.00           C  
HETATM   26  H   UNL     1       4.690  -2.709  -0.118  1.00  0.00           H  
HETATM   27  H   UNL     1       5.244   0.624  -0.723  1.00  0.00           H  
HETATM   28  H   UNL     1       3.663  -0.986   1.178  1.00  0.00           H  
HETATM   29  H   UNL     1       3.096   0.086  -1.625  1.00  0.00           H  
HETATM   30  H   UNL     1       2.138   2.330  -1.543  1.00  0.00           H  
HETATM   31  H   UNL     1       1.954  -2.120  -1.084  1.00  0.00           H  
HETATM   32  H   UNL     1       2.250   1.132   1.118  1.00  0.00           H  
HETATM   33  H   UNL     1       3.182  -3.798   0.327  1.00  0.00           H  
HETATM   34  H   UNL     1       2.408  -3.100   1.770  1.00  0.00           H  
HETATM   35  H   UNL     1       0.606  -0.099  -1.141  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.353  -1.073   0.236  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.997   0.209   2.569  1.00  0.00           H  
HETATM   38  H   UNL     1       1.378   4.474  -1.717  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.100   4.732  -0.759  1.00  0.00           H  
HETATM   40  H   UNL     1       1.464   5.335  -0.161  1.00  0.00           H  
HETATM   41  H   UNL     1       1.166  -4.944   0.896  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.280  -1.768   1.241  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.353  -0.703   2.204  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.416  -0.192   0.120  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.726   1.294  -1.421  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.189   1.833  -0.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.997   1.833   1.821  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.440   2.405   1.109  1.00  0.00           H  
CONECT    1    4   26                                                 
CONECT    2    9    9                                                 
CONECT    3    5   27                                                 
CONECT    4    1    5    7   28                                       
CONECT    5    3    4    8   29                                       
CONECT    6    8    9   30                                            
CONECT    7    4   10   16   31                                       
CONECT    8    5    6   11   32                                       
CONECT    9    6    2    2   14                                       
CONECT   10    7   15   33   34                                       
CONECT   11    8   16   17   35                                       
CONECT   12   17   13   23   36                                       
CONECT   13   12   18   25   37                                       
CONECT   14    9   38   39   40                                       
CONECT   15   10   41                                                 
CONECT   16    7   11                                                 
CONECT   17   11   12                                                 
CONECT   18   13   19   42   43                                       
CONECT   19   18   24   20   44                                       
CONECT   20   22   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   20                                                 
CONECT   23   12   22   24   45                                       
CONECT   24   23   25   19   46                                       
CONECT   25   13   24   47   48                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
