COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.798   0.734   8.270  1.00  0.00           N  
HETATM    2  C   UNL     1       0.281   0.263   7.715  1.00  0.00           C  
HETATM    3  N   UNL     1       1.372  -0.057   8.494  1.00  0.00           N  
HETATM    4  C   UNL     1       0.337   0.074   6.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.761   0.399   5.472  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.703   0.218   4.082  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.804   0.539   3.265  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.729   0.357   1.922  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.559  -0.150   1.327  1.00  0.00           C  
HETATM   10  C   UNL     1       0.538  -0.480   2.105  1.00  0.00           C  
HETATM   11  C   UNL     1       0.481  -0.294   3.494  1.00  0.00           C  
HETATM   12  C   UNL     1       1.582  -0.615   4.311  1.00  0.00           C  
HETATM   13  C   UNL     1       1.505  -0.432   5.655  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.504  -0.339  -0.136  1.00  0.00           C  
HETATM   15  O   UNL     1       0.503  -0.778  -0.655  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.571  -0.024  -0.897  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.483  -0.099  -2.291  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.282   0.186  -2.925  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.204   0.103  -4.314  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.332  -0.252  -5.057  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.519  -0.534  -4.419  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.597  -0.458  -3.039  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.215  -0.324  -6.557  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.230   0.737  -7.042  1.00  0.00           C  
HETATM   25  N   UNL     1       1.018   0.682  -6.289  1.00  0.00           N  
HETATM   26  C   UNL     1       1.050   0.402  -5.030  1.00  0.00           C  
HETATM   27  C   UNL     1       2.366   0.375  -4.294  1.00  0.00           C  
HETATM   28  C   UNL     1       2.659  -1.050  -3.826  1.00  0.00           C  
HETATM   29  C   UNL     1       3.482   0.845  -5.229  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.835   0.858   9.232  1.00  0.00           H  
HETATM   31  H   UNL     1       1.335   0.066   9.455  1.00  0.00           H  
HETATM   32  H   UNL     1       2.177  -0.408   8.080  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.656   0.789   5.933  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.708   0.930   3.707  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.577   0.606   1.301  1.00  0.00           H  
HETATM   36  H   UNL     1       1.431  -0.874   1.644  1.00  0.00           H  
HETATM   37  H   UNL     1       2.486  -1.005   3.870  1.00  0.00           H  
HETATM   38  H   UNL     1       2.354  -0.680   6.276  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.401   0.252  -0.478  1.00  0.00           H  
HETATM   40  H   UNL     1       0.585   0.466  -2.346  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.389  -0.814  -4.995  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.530  -0.680  -2.541  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.192  -0.146  -7.007  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.856  -1.312  -6.847  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.678   1.723  -6.918  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.018   0.573  -8.098  1.00  0.00           H  
HETATM   47  H   UNL     1       2.313   1.038  -3.430  1.00  0.00           H  
HETATM   48  H   UNL     1       3.610  -1.070  -3.294  1.00  0.00           H  
HETATM   49  H   UNL     1       1.863  -1.385  -3.160  1.00  0.00           H  
HETATM   50  H   UNL     1       2.712  -1.713  -4.690  1.00  0.00           H  
HETATM   51  H   UNL     1       3.593   0.134  -6.048  1.00  0.00           H  
HETATM   52  H   UNL     1       3.231   1.826  -5.631  1.00  0.00           H  
HETATM   53  H   UNL     1       4.418   0.908  -4.674  1.00  0.00           H  
CONECT    1    2    2   30                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   31   32                                            
CONECT    4    2    5    5   13                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   14                                       
CONECT   10    9   11   11   36                                       
CONECT   11    6   10   10   12                                       
CONECT   12   11   13   13   37                                       
CONECT   13    4   12   12   38                                       
CONECT   14    9   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   39                                            
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   40                                       
CONECT   19   18   20   20   26                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   22   41                                       
CONECT   22   17   21   21   42                                       
CONECT   23   20   24   43   44                                       
CONECT   24   23   25   45   46                                       
CONECT   25   24   26   26                                            
CONECT   26   19   25   25   27                                       
CONECT   27   26   28   29   47                                       
CONECT   28   27   48   49   50                                       
CONECT   29   27   51   52   53                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
