COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.309   0.218   0.405  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.561  -0.668   1.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.185  -0.595   1.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.542   0.359   0.398  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.186   0.428   0.395  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.746  -0.153  -0.835  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.499  -1.667  -0.659  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.091  -1.780  -0.362  1.00  0.00           O  
HETATM    9  C   UNL     1       0.565  -0.834  -1.232  1.00  0.00           C  
HETATM   10  C   UNL     1       1.860  -0.349  -0.548  1.00  0.00           C  
HETATM   11  O   UNL     1       2.972  -0.473  -1.437  1.00  0.00           O  
HETATM   12  C   UNL     1       4.072  -0.674  -0.665  1.00  0.00           C  
HETATM   13  C   UNL     1       4.314  -1.926  -0.115  1.00  0.00           C  
HETATM   14  C   UNL     1       5.431  -2.135   0.672  1.00  0.00           C  
HETATM   15  C   UNL     1       6.313  -1.102   0.915  1.00  0.00           C  
HETATM   16  C   UNL     1       6.078   0.159   0.366  1.00  0.00           C  
HETATM   17  C   UNL     1       7.022   1.270   0.626  1.00  0.00           C  
HETATM   18  N   UNL     1       6.800   2.446   0.113  1.00  0.00           N  
HETATM   19  N   UNL     1       8.134   1.060   1.411  1.00  0.00           N  
HETATM   20  C   UNL     1       4.954   0.368  -0.431  1.00  0.00           C  
HETATM   21  C   UNL     1       1.585   1.137  -0.226  1.00  0.00           C  
HETATM   22  O   UNL     1       0.148   1.237  -0.147  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.368   0.414  -1.238  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.283   1.241  -0.378  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.659   1.170  -0.381  1.00  0.00           C  
HETATM   26  N   UNL     1      -8.391  -0.751   1.140  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.786   0.142   0.409  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.523   1.017  -0.360  1.00  0.00           N  
HETATM   29  H   UNL     1      -6.061  -1.409   1.789  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.606  -1.279   1.779  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.477   0.025  -1.623  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.094  -2.055   0.168  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.737  -2.200  -1.580  1.00  0.00           H  
HETATM   34  H   UNL     1       0.741  -1.234  -2.231  1.00  0.00           H  
HETATM   35  H   UNL     1       2.041  -0.910   0.368  1.00  0.00           H  
HETATM   36  H   UNL     1       3.628  -2.738  -0.302  1.00  0.00           H  
HETATM   37  H   UNL     1       5.615  -3.111   1.097  1.00  0.00           H  
HETATM   38  H   UNL     1       7.185  -1.269   1.531  1.00  0.00           H  
HETATM   39  H   UNL     1       7.418   3.174   0.283  1.00  0.00           H  
HETATM   40  H   UNL     1       8.300   0.184   1.793  1.00  0.00           H  
HETATM   41  H   UNL     1       8.752   1.787   1.581  1.00  0.00           H  
HETATM   42  H   UNL     1       4.767   1.342  -0.859  1.00  0.00           H  
HETATM   43  H   UNL     1       2.038   1.408   0.728  1.00  0.00           H  
HETATM   44  H   UNL     1       1.967   1.774  -1.023  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.383   0.942  -2.191  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.779   1.981  -0.983  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.234   1.857  -0.984  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.360  -0.801   1.142  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.072   1.683  -0.903  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.491   0.965  -0.360  1.00  0.00           H  
CONECT    1    2    2   25   27                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   23   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   23   34                                       
CONECT   10    9   11   21   35                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   20                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13   15   15   37                                       
CONECT   15   14   14   16   38                                       
CONECT   16   15   17   20   20                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   39                                            
CONECT   19   17   40   41                                            
CONECT   20   12   16   16   42                                       
CONECT   21   10   22   43   44                                       
CONECT   22   21   23                                                 
CONECT   23    6    9   22   45                                       
CONECT   24    4   25   25   46                                       
CONECT   25    1   24   24   47                                       
CONECT   26   27   27   48                                            
CONECT   27    1   26   26   28                                       
CONECT   28   27   49   50                                            
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
