COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.142  -1.764   1.314  1.00  0.00           O  
HETATM    2  C   UNL     1       7.204  -0.809   0.565  1.00  0.00           C  
HETATM    3  O   UNL     1       8.402  -0.363   0.141  1.00  0.00           O  
HETATM    4  C   UNL     1       5.965  -0.142   0.116  1.00  0.00           C  
HETATM    5  C   UNL     1       6.043   0.960  -0.755  1.00  0.00           C  
HETATM    6  C   UNL     1       4.917   1.589  -1.181  1.00  0.00           C  
HETATM    7  C   UNL     1       3.656   1.141  -0.751  1.00  0.00           C  
HETATM    8  C   UNL     1       2.474   1.776  -1.177  1.00  0.00           C  
HETATM    9  C   UNL     1       1.281   1.291  -0.722  1.00  0.00           C  
HETATM   10  C   UNL     1       4.736  -0.609   0.552  1.00  0.00           C  
HETATM   11  C   UNL     1       3.561   0.032   0.126  1.00  0.00           C  
HETATM   12  N   UNL     1       2.361  -0.393   0.535  1.00  0.00           N  
HETATM   13  C   UNL     1       1.259   0.196   0.140  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.068  -0.325   0.631  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.123   0.463   0.077  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.430   0.051   0.482  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.368   1.262   0.495  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.378   1.872  -0.797  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.969  -0.988  -0.507  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.142  -2.152  -0.474  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.399  -1.365  -0.110  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.928  -2.291  -1.060  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.222  -2.796  -0.721  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.211  -0.189  -0.087  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.783   0.798   0.853  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.738   1.993   0.809  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.032   1.584   1.255  1.00  0.00           O  
HETATM   28  H   UNL     1       9.184  -0.834   0.458  1.00  0.00           H  
HETATM   29  H   UNL     1       7.009   1.309  -1.089  1.00  0.00           H  
HETATM   30  H   UNL     1       4.991   2.434  -1.849  1.00  0.00           H  
HETATM   31  H   UNL     1       2.510   2.624  -1.845  1.00  0.00           H  
HETATM   32  H   UNL     1       0.356   1.755  -1.030  1.00  0.00           H  
HETATM   33  H   UNL     1       4.682  -1.458   1.217  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.188  -1.363   0.321  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.102  -0.264   1.719  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.382  -0.386   1.479  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.023   1.982   1.236  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.957   2.644  -0.863  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.969  -0.568  -1.513  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.425  -2.853  -1.077  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.393  -1.822   0.879  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.170  -3.312   0.237  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.928  -1.969  -0.651  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.553  -3.492  -1.492  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.782   0.370   1.855  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.362   2.782   1.460  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.807   2.366  -0.213  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.690   2.293   1.254  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   28                                                 
CONECT    4    5    2   10   10                                       
CONECT    5    6    6    4   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   31                                       
CONECT    9    8   13   13   32                                       
CONECT   10    4    4   11   33                                       
CONECT   11    7   10   12   12                                       
CONECT   12   11   11   13                                            
CONECT   13    9    9   12   14                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   16                                                 
CONECT   16   17   15   19   36                                       
CONECT   17   18   25   16   37                                       
CONECT   18   17   38                                                 
CONECT   19   16   21   20   39                                       
CONECT   20   19   40                                                 
CONECT   21   24   19   22   41                                       
CONECT   22   21   23                                                 
CONECT   23   22   42   43   44                                       
CONECT   24   25   21                                                 
CONECT   25   17   26   24   45                                       
CONECT   26   25   27   46   47                                       
CONECT   27   26   48                                                 
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
