COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.672   1.081  -0.628  1.00  0.00           C  
HETATM    2  C   UNL     1       0.051   0.870   0.703  1.00  0.00           C  
HETATM    3  C   UNL     1       1.539   0.824   0.465  1.00  0.00           C  
HETATM    4  C   UNL     1       5.938   0.067  -0.324  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.383  -1.163  -0.480  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.913  -0.075  -0.339  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.364   0.049  -0.102  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.188  -1.073  -0.029  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.538  -0.911   0.195  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.075   0.359   0.347  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.271   1.476   0.277  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.906   1.335   0.052  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.099   2.413  -0.019  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.783   2.310  -0.233  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.159   1.128  -0.390  1.00  0.00           C  
HETATM   16  N   UNL     1       2.330   1.856   0.484  1.00  0.00           N  
HETATM   17  C   UNL     1       3.604   1.462   0.231  1.00  0.00           C  
HETATM   18  C   UNL     1       4.821   2.141   0.136  1.00  0.00           C  
HETATM   19  C   UNL     1       5.975   1.442  -0.140  1.00  0.00           C  
HETATM   20  C   UNL     1       7.287   2.176  -0.243  1.00  0.00           C  
HETATM   21  C   UNL     1       4.746  -0.619  -0.234  1.00  0.00           C  
HETATM   22  C   UNL     1       3.573   0.069   0.044  1.00  0.00           C  
HETATM   23  N   UNL     1       2.252  -0.307   0.203  1.00  0.00           N  
HETATM   24  C   UNL     1       1.742  -1.609   0.111  1.00  0.00           C  
HETATM   25  C   UNL     1       2.125  -2.573   1.035  1.00  0.00           C  
HETATM   26  C   UNL     1       1.620  -3.855   0.942  1.00  0.00           C  
HETATM   27  C   UNL     1       0.735  -4.180  -0.070  1.00  0.00           C  
HETATM   28  C   UNL     1       0.353  -3.222  -0.992  1.00  0.00           C  
HETATM   29  C   UNL     1       0.849  -1.937  -0.900  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.346   2.021  -1.074  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.438   0.258  -1.303  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.183   1.694   1.378  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.275  -0.069   1.149  1.00  0.00           H  
HETATM   34  H   UNL     1       6.851  -0.469  -0.540  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.771  -2.063  -0.148  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.181  -1.777   0.252  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.134   0.474   0.521  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.700   2.460   0.396  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.194   3.214  -0.275  1.00  0.00           H  
HETATM   40  H   UNL     1       4.857   3.211   0.278  1.00  0.00           H  
HETATM   41  H   UNL     1       7.447   2.491  -1.274  1.00  0.00           H  
HETATM   42  H   UNL     1       7.265   3.051   0.406  1.00  0.00           H  
HETATM   43  H   UNL     1       8.097   1.515   0.065  1.00  0.00           H  
HETATM   44  H   UNL     1       4.724  -1.689  -0.378  1.00  0.00           H  
HETATM   45  H   UNL     1       2.816  -2.320   1.825  1.00  0.00           H  
HETATM   46  H   UNL     1       1.917  -4.605   1.660  1.00  0.00           H  
HETATM   47  H   UNL     1       0.342  -5.183  -0.141  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.342  -3.477  -1.778  1.00  0.00           H  
HETATM   49  H   UNL     1       0.550  -1.189  -1.620  1.00  0.00           H  
CONECT    1    2   15   30   31                                       
CONECT    2    3    1   32   33                                       
CONECT    3   23   16   16    2                                       
CONECT    4   19   19   21   34                                       
CONECT    5    6    6                                                 
CONECT    6   15    5    5    7                                       
CONECT    7    6   12   12    8                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10   11   11    9   37                                       
CONECT   11   12   10   10   38                                       
CONECT   12   13    7    7   11                                       
CONECT   13   14   12                                                 
CONECT   14   15   15   13   39                                       
CONECT   15    1   14   14    6                                       
CONECT   16   17    3    3                                            
CONECT   17   18   18   22   16                                       
CONECT   18   19   17   17   40                                       
CONECT   19   20    4    4   18                                       
CONECT   20   19   41   42   43                                       
CONECT   21    4   22   22   44                                       
CONECT   22   21   21   17   23                                       
CONECT   23   22   24    3                                            
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   45                                       
CONECT   26   27   27   25   46                                       
CONECT   27   28   26   26   47                                       
CONECT   28   29   29   27   48                                       
CONECT   29   28   28   24   49                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
