COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.442  -2.660  -0.563  1.00  0.00           O  
HETATM    2  C   UNL     1       6.469  -2.200   0.004  1.00  0.00           C  
HETATM    3  O   UNL     1       5.954  -2.831   1.080  1.00  0.00           O  
HETATM    4  C   UNL     1       6.602  -4.034   1.498  1.00  0.00           C  
HETATM    5  C   UNL     1       5.860  -0.960  -0.476  1.00  0.00           C  
HETATM    6  O   UNL     1       4.787  -0.345   0.064  1.00  0.00           O  
HETATM    7  C   UNL     1       6.289  -0.216  -1.556  1.00  0.00           C  
HETATM    8  C   UNL     1       5.429   0.880  -1.659  1.00  0.00           C  
HETATM    9  C   UNL     1       4.510   0.767  -0.638  1.00  0.00           C  
HETATM   10  C   UNL     1       3.411   1.706  -0.363  1.00  0.00           C  
HETATM   11  N   UNL     1       3.491   3.070  -0.357  1.00  0.00           N  
HETATM   12  N   UNL     1       2.221   3.576  -0.057  1.00  0.00           N  
HETATM   13  C   UNL     1       1.390   2.565   0.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.024   2.238   0.433  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.119   3.062   0.700  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.351   2.505   0.972  1.00  0.00           C  
HETATM   17  C   UNL     1       2.108   1.374  -0.071  1.00  0.00           C  
HETATM   18  C   UNL     1       1.145   0.230   0.125  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.190   0.856   0.446  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.426   0.308   0.719  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.507   1.131   0.982  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.856   0.529   1.281  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.604   0.358   0.029  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.927  -0.228   0.282  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.807  -1.752   0.341  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.185  -2.362   0.604  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.883   0.165  -0.847  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.261  -0.445  -0.583  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.141  -1.969  -0.524  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.635  -2.456  -1.768  1.00  0.00           O  
HETATM   31  H   UNL     1       7.640  -3.818   1.754  1.00  0.00           H  
HETATM   32  H   UNL     1       6.090  -4.439   2.371  1.00  0.00           H  
HETATM   33  H   UNL     1       6.572  -4.764   0.689  1.00  0.00           H  
HETATM   34  H   UNL     1       7.129  -0.438  -2.198  1.00  0.00           H  
HETATM   35  H   UNL     1       5.477   1.667  -2.397  1.00  0.00           H  
HETATM   36  H   UNL     1       4.288   3.595  -0.530  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.001   4.136   0.693  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.197   3.144   1.178  1.00  0.00           H  
HETATM   39  H   UNL     1       1.072  -0.360  -0.789  1.00  0.00           H  
HETATM   40  H   UNL     1       1.473  -0.399   0.952  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.550  -0.765   0.728  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.723  -0.441   1.760  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.409   1.190   1.948  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.082  -0.199  -0.632  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.313   0.144   1.231  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.421  -2.123  -0.609  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.126  -2.032   1.145  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.100  -3.448   0.646  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.572  -1.991   1.554  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.968   1.251  -0.889  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.497  -0.206  -1.796  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.647  -0.074   0.366  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.942  -0.165  -1.387  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.123  -2.404  -0.336  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.191  -2.243  -2.530  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    1    1                                       
CONECT    3    2    4                                                 
CONECT    4    3   31   32   33                                       
CONECT    5    6    7    7    2                                       
CONECT    6    9    5                                                 
CONECT    7    8    5    5   34                                       
CONECT    8    9    9    7   35                                       
CONECT    9   10    8    8    6                                       
CONECT   10   11   17   17    9                                       
CONECT   11   12   10   36                                            
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   17                                       
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   37                                       
CONECT   16   15   15   21   38                                       
CONECT   17   13   10   10   18                                       
CONECT   18   17   19   39   40                                       
CONECT   19   14   14   20   18                                       
CONECT   20   21   21   19   41                                       
CONECT   21   16   22   20   20                                       
CONECT   22   23   21   42   43                                       
CONECT   23   24   22   44                                            
CONECT   24   25   23   27   45                                       
CONECT   25   26   24   46   47                                       
CONECT   26   25   29   48   49                                       
CONECT   27   24   28   50   51                                       
CONECT   28   29   27   52   53                                       
CONECT   29   26   30   28   54                                       
CONECT   30   29   55                                                 
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
