COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.490  -2.950   1.243  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.509  -2.635  -2.759  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.811  -2.910  -2.381  1.00  0.00           C  
HETATM    4  C   UNL     1       6.142   0.106  -0.495  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.528  -2.465  -1.802  1.00  0.00           C  
HETATM    6  O   UNL     1       2.795  -0.508   2.716  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.826   1.267  -1.364  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.674   1.587   1.006  1.00  0.00           C  
HETATM    9  C   UNL     1       5.088   0.508   0.311  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.141  -3.016  -1.043  1.00  0.00           C  
HETATM   11  N   UNL     1       4.895   0.637  -2.413  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.611  -3.145   1.645  1.00  0.00           N  
HETATM   13  N   UNL     1       0.383  -2.717   2.338  1.00  0.00           N  
HETATM   14  O   UNL     1      -3.106   3.920  -0.364  1.00  0.00           O  
HETATM   15  N   UNL     1       1.880   0.260   0.785  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.774   2.269  -1.441  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.621   2.590   0.934  1.00  0.00           C  
HETATM   18  C   UNL     1       6.008   0.185  -1.869  1.00  0.00           C  
HETATM   19  C   UNL     1       3.868   1.017  -1.678  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.850  -2.570  -0.451  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.276   0.927  -0.142  1.00  0.00           C  
HETATM   22  C   UNL     1       0.173  -1.382   0.606  1.00  0.00           C  
HETATM   23  C   UNL     1       3.932   0.972  -0.298  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.167  -2.847  -0.072  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.174   2.934  -0.291  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.800  -2.388   0.581  1.00  0.00           C  
HETATM   27  C   UNL     1       0.923  -1.612   1.743  1.00  0.00           C  
HETATM   28  C   UNL     1       1.967  -0.585   1.828  1.00  0.00           C  
HETATM   29  C   UNL     1       0.757  -0.167  -0.061  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.523   5.635   0.580  1.00  0.00           C  
HETATM   31  C   UNL     1       2.754   1.409   0.535  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.470   4.561   0.860  1.00  0.00           C  
HETATM   33  H   UNL     1      -3.409  -3.846   1.599  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.257  -2.557  -3.806  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.573  -3.041  -3.135  1.00  0.00           H  
HETATM   36  H   UNL     1       7.058  -0.260  -0.055  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.512  -2.251  -2.100  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.517   0.747  -2.259  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.242   1.320   1.959  1.00  0.00           H  
HETATM   40  H   UNL     1       5.166   0.462   1.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.159  -3.230  -0.754  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.203   2.535  -2.396  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.931   3.106   1.831  1.00  0.00           H  
HETATM   44  H   UNL     1       6.825  -0.126  -2.503  1.00  0.00           H  
HETATM   45  H   UNL     1       2.973   1.382  -2.159  1.00  0.00           H  
HETATM   46  H   UNL     1       1.114  -0.420  -1.059  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.801   6.124   1.514  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.114   6.374  -0.109  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.404   5.173   0.136  1.00  0.00           H  
HETATM   50  H   UNL     1       2.197   2.179   0.001  1.00  0.00           H  
HETATM   51  H   UNL     1       3.109   1.809   1.484  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.879   3.822   1.549  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.589   5.024   1.304  1.00  0.00           H  
HETATM   54  H   UNL     1       0.702  -3.118   3.161  1.00  0.00           H  
CONECT    1   24   33                                                 
CONECT    2    3    3    5   34                                       
CONECT    3    2    2   10   35                                       
CONECT    4   18    9    9   36                                       
CONECT    5    2   20   20   37                                       
CONECT    6   28   28                                                 
CONECT    7   16   16   21   38                                       
CONECT    8   21   21   17   39                                       
CONECT    9    4    4   23   40                                       
CONECT   10    3   24   24   41                                       
CONECT   11   18   18   19                                            
CONECT   12   26   26   13                                            
CONECT   13   27   12   54                                            
CONECT   14   32   25                                                 
CONECT   15   29   31   28                                            
CONECT   16    7    7   25   42                                       
CONECT   17   25   25    8   43                                       
CONECT   18   11   11    4   44                                       
CONECT   19   11   23   23   45                                       
CONECT   20    5    5   24   26                                       
CONECT   21    7   29    8    8                                       
CONECT   22   29   26   27   27                                       
CONECT   23   19   19    9   31                                       
CONECT   24   10   10   20    1                                       
CONECT   25   16   14   17   17                                       
CONECT   26   20   22   12   12                                       
CONECT   27   22   22   28   13                                       
CONECT   28   15   27    6    6                                       
CONECT   29   21   15   22   46                                       
CONECT   30   32   47   48   49                                       
CONECT   31   23   15   50   51                                       
CONECT   32   30   14   52   53                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   13                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
