COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.293  -0.117   0.809  1.00  0.00           O  
HETATM    2  C   UNL     1       0.667   0.926   0.311  1.00  0.00           C  
HETATM    3  C   UNL     1       2.105   1.140   0.030  1.00  0.00           C  
HETATM    4  C   UNL     1       3.047   0.155   0.330  1.00  0.00           C  
HETATM    5  C   UNL     1       4.388   0.399   0.048  1.00  0.00           C  
HETATM    6  N   UNL     1       5.339  -0.572   0.340  1.00  0.00           N  
HETATM    7  C   UNL     1       6.687  -0.118  -0.033  1.00  0.00           C  
HETATM    8  C   UNL     1       7.707  -1.190   0.360  1.00  0.00           C  
HETATM    9  O   UNL     1       7.359  -2.426  -0.269  1.00  0.00           O  
HETATM   10  C   UNL     1       6.052  -2.898   0.072  1.00  0.00           C  
HETATM   11  C   UNL     1       5.015  -1.844  -0.323  1.00  0.00           C  
HETATM   12  N   UNL     1       4.767   1.544  -0.495  1.00  0.00           N  
HETATM   13  C   UNL     1       3.904   2.496  -0.791  1.00  0.00           C  
HETATM   14  C   UNL     1       2.555   2.333  -0.549  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.229   1.887   0.009  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.600   1.626   0.119  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.058   0.700   1.046  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.411   0.443   1.155  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.311   1.110   0.336  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.854   2.035  -0.591  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.502   2.297  -0.696  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.643   0.856   0.443  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.088  -0.374   0.082  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.202  -1.350  -0.370  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.694  -2.589  -0.727  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.984  -2.854  -0.643  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.854  -1.956  -0.219  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.440  -0.696   0.161  1.00  0.00           C  
HETATM   29  H   UNL     1       2.741  -0.780   0.773  1.00  0.00           H  
HETATM   30  H   UNL     1       6.730   0.048  -1.109  1.00  0.00           H  
HETATM   31  H   UNL     1       6.916   0.811   0.490  1.00  0.00           H  
HETATM   32  H   UNL     1       8.701  -0.883   0.034  1.00  0.00           H  
HETATM   33  H   UNL     1       7.702  -1.318   1.442  1.00  0.00           H  
HETATM   34  H   UNL     1       5.849  -3.826  -0.461  1.00  0.00           H  
HETATM   35  H   UNL     1       5.999  -3.077   1.146  1.00  0.00           H  
HETATM   36  H   UNL     1       4.024  -2.174  -0.013  1.00  0.00           H  
HETATM   37  H   UNL     1       5.032  -1.704  -1.404  1.00  0.00           H  
HETATM   38  H   UNL     1       4.257   3.416  -1.234  1.00  0.00           H  
HETATM   39  H   UNL     1       1.856   3.117  -0.799  1.00  0.00           H  
HETATM   40  H   UNL     1       0.077   2.760  -0.284  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.357   0.181   1.683  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.767  -0.277   1.876  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.555   2.554  -1.228  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.146   3.017  -1.418  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.145  -1.139  -0.442  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.015  -3.351  -1.079  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.901  -2.213  -0.165  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.158   0.034   0.507  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   15    1    1    3                                       
CONECT    3    2    4    4   14                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4   12   12    6                                       
CONECT    6   11    5    7                                            
CONECT    7    6    8   30   31                                       
CONECT    8    9    7   32   33                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   34   35                                       
CONECT   11    6   10   36   37                                       
CONECT   12    5    5   13                                            
CONECT   13   14   14   12   38                                       
CONECT   14    3   13   13   39                                       
CONECT   15   16    2   40                                            
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16   41                                       
CONECT   18   19   19   17   42                                       
CONECT   19   22   18   18   20                                       
CONECT   20   19   21   21   43                                       
CONECT   21   20   20   16   44                                       
CONECT   22   23   19                                                 
CONECT   23   28   28   24   22                                       
CONECT   24   25   25   23   45                                       
CONECT   25   26   24   24   46                                       
CONECT   26   27   27   25                                            
CONECT   27   26   26   28   47                                       
CONECT   28   27   23   23   48                                       
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
