COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.337   0.361   0.073  1.00  0.00           C  
HETATM    2  C   UNL     1       5.072   1.547  -0.623  1.00  0.00           C  
HETATM    3  C   UNL     1       3.794   1.872  -0.976  1.00  0.00           C  
HETATM    4  C   UNL     1       2.742   1.026  -0.647  1.00  0.00           C  
HETATM    5  C   UNL     1       2.990  -0.171   0.052  1.00  0.00           C  
HETATM    6  C   UNL     1       4.298  -0.502   0.406  1.00  0.00           C  
HETATM    7  C   UNL     1       6.726   0.022   0.450  1.00  0.00           C  
HETATM    8  N   UNL     1       6.980  -1.106   1.111  1.00  0.00           N  
HETATM    9  N   UNL     1       7.723   0.845   0.127  1.00  0.00           N1+
HETATM   10  N   UNL     1       1.380   1.073  -0.857  1.00  0.00           N  
HETATM   11  N   UNL     1       1.794  -0.785   0.232  1.00  0.00           N  
HETATM   12  C   UNL     1       0.843  -0.058  -0.301  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.594  -0.405  -0.301  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.995  -1.726  -0.510  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.336  -2.051  -0.510  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.760  -3.479  -0.737  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.845  -4.205   0.607  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.259  -5.597   0.386  1.00  0.00           N1+
HETATM   19  C   UNL     1      -3.293  -1.075  -0.303  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.911   0.248  -0.092  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.556   0.588  -0.086  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.175   1.874   0.119  1.00  0.00           O1-
HETATM   23  C   UNL     1      -3.940   1.293   0.130  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.831   2.164   1.212  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.791   3.134   1.414  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.862   3.242   0.544  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.976   2.380  -0.531  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.018   1.410  -0.747  1.00  0.00           C  
HETATM   29  H   UNL     1       5.885   2.210  -0.881  1.00  0.00           H  
HETATM   30  H   UNL     1       3.600   2.789  -1.512  1.00  0.00           H  
HETATM   31  H   UNL     1       4.503  -1.420   0.937  1.00  0.00           H  
HETATM   32  H   UNL     1       7.891  -1.328   1.359  1.00  0.00           H  
HETATM   33  H   UNL     1       6.254  -1.704   1.346  1.00  0.00           H  
HETATM   34  H   UNL     1       7.538   1.666  -0.355  1.00  0.00           H  
HETATM   35  H   UNL     1       8.634   0.624   0.378  1.00  0.00           H  
HETATM   36  H   UNL     1       0.892   1.776  -1.314  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.254  -2.495  -0.672  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.737  -3.495  -1.221  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.030  -3.978  -1.374  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.869  -4.189   1.091  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.575  -3.706   1.245  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.163  -5.613  -0.062  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.583  -6.059  -0.204  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.315  -6.076   1.272  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.340  -1.339  -0.305  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.996   2.080   1.892  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.708   3.810   2.252  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.611   4.003   0.706  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.814   2.469  -1.207  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.107   0.738  -1.587  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   31                                       
CONECT    7    1    8    9    9                                       
CONECT    8    7   32   33                                            
CONECT    9    7    7   34   35                                       
CONECT   10    4   12   36                                            
CONECT   11    5   12   12                                            
CONECT   12   10   11   11   13                                       
CONECT   13   12   14   14   21                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   19   19                                       
CONECT   16   15   17   38   39                                       
CONECT   17   16   18   40   41                                       
CONECT   18   17   42   43   44                                       
CONECT   19   15   15   20   45                                       
CONECT   20   19   21   21   23                                       
CONECT   21   13   20   20   22                                       
CONECT   22   21                                                      
CONECT   23   20   24   24   28                                       
CONECT   24   23   23   25   46                                       
CONECT   25   24   26   26   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   28   49                                       
CONECT   28   23   27   27   50                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
