COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.430   0.876   0.542  1.00  0.00           C  
HETATM    2  C   UNL     1       3.661   1.621  -0.557  1.00  0.00           C  
HETATM    3  C   UNL     1       1.252   2.036  -0.427  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.602   0.566  -1.203  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.142   0.144  -0.028  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.968  -0.987  -0.423  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.447  -0.887   0.820  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.439  -0.063   1.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.288   1.615   0.748  1.00  0.00           C  
HETATM   10  C   UNL     1       2.767  -1.026   0.417  1.00  0.00           C  
HETATM   11  C   UNL     1       7.265  -0.427  -0.875  1.00  0.00           C  
HETATM   12  O   UNL     1       6.954  -0.351   1.635  1.00  0.00           O  
HETATM   13  C   UNL     1       6.602  -0.966   0.394  1.00  0.00           C  
HETATM   14  C   UNL     1       5.176  -1.441   0.286  1.00  0.00           C  
HETATM   15  N   UNL     1       4.161  -0.563   0.410  1.00  0.00           N  
HETATM   16  N   UNL     1       2.266   1.157  -0.550  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.140   1.548  -0.324  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.898   0.112  -1.107  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.751   0.632  -0.131  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.689  -0.800  -0.817  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.186  -0.103   0.648  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.021   0.562   0.847  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.996  -1.809  -0.858  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.227  -1.757  -0.237  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.992   2.069   0.652  1.00  0.00           C  
HETATM   26  O   UNL     1       1.481   3.229  -0.399  1.00  0.00           O  
HETATM   27  C   UNL     1       1.998  -0.282  -0.682  1.00  0.00           C  
HETATM   28  O   UNL     1       4.941  -2.614   0.087  1.00  0.00           O  
HETATM   29  C   UNL     1       7.677  -1.791  -0.317  1.00  0.00           C  
HETATM   30  H   UNL     1       5.498   1.061   0.430  1.00  0.00           H  
HETATM   31  H   UNL     1       4.100   1.222   1.521  1.00  0.00           H  
HETATM   32  H   UNL     1       3.691   2.693  -0.362  1.00  0.00           H  
HETATM   33  H   UNL     1       4.112   1.410  -1.526  1.00  0.00           H  
HETATM   34  H   UNL     1       0.055   0.166  -1.961  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.415  -0.856   1.297  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.615   0.613   2.090  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.947   2.018   1.502  1.00  0.00           H  
HETATM   38  H   UNL     1       2.737  -2.098   0.222  1.00  0.00           H  
HETATM   39  H   UNL     1       2.316  -0.818   1.387  1.00  0.00           H  
HETATM   40  H   UNL     1       6.670  -0.416  -1.788  1.00  0.00           H  
HETATM   41  H   UNL     1       7.970   0.397  -0.764  1.00  0.00           H  
HETATM   42  H   UNL     1       6.566  -0.779   2.410  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.256  -0.647  -1.787  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.833  -2.489  -1.681  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.026  -2.400  -0.578  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.635   2.829   1.331  1.00  0.00           H  
HETATM   47  H   UNL     1       2.330  -0.628  -1.660  1.00  0.00           H  
HETATM   48  H   UNL     1       0.929  -0.466  -0.570  1.00  0.00           H  
HETATM   49  H   UNL     1       7.353  -2.677  -0.862  1.00  0.00           H  
HETATM   50  H   UNL     1       8.653  -1.864   0.162  1.00  0.00           H  
CONECT    1    2   15   30   31                                       
CONECT    2    1   16   32   33                                       
CONECT    3   16   26   26   17                                       
CONECT    4   17   17   18   34                                       
CONECT    5   19   20   22   22                                       
CONECT    6   20   23   23   21                                       
CONECT    7   24   24    8   35                                       
CONECT    8   21   21    7   36                                       
CONECT    9   25   25   19   37                                       
CONECT   10   27   15   38   39                                       
CONECT   11   29   13   40   41                                       
CONECT   12   13   42                                                 
CONECT   13   29   11   14   12                                       
CONECT   14   13   15   28   28                                       
CONECT   15    1   14   10                                            
CONECT   16    2   27    3                                            
CONECT   17    3    4    4   25                                       
CONECT   18    4   19   19   43                                       
CONECT   19   18   18    9    5                                       
CONECT   20    5    6                                                 
CONECT   21    6   22    8    8                                       
CONECT   22    5    5   21                                            
CONECT   23    6    6   24   44                                       
CONECT   24   23    7    7   45                                       
CONECT   25   17    9    9   46                                       
CONECT   26    3    3                                                 
CONECT   27   16   10   47   48                                       
CONECT   28   14   14                                                 
CONECT   29   11   13   49   50                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   18                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
