COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.456  -1.921  -0.754  1.00  0.00           N  
HETATM    2  C   UNL     1       3.120  -0.584  -0.249  1.00  0.00           C  
HETATM    3  C   UNL     1       1.679  -0.561   0.193  1.00  0.00           C  
HETATM    4  O   UNL     1       1.106  -1.600   0.444  1.00  0.00           O  
HETATM    5  C   UNL     1       4.023  -0.245   0.939  1.00  0.00           C  
HETATM    6  C   UNL     1       5.452  -0.146   0.471  1.00  0.00           C  
HETATM    7  C   UNL     1       5.956   1.066   0.039  1.00  0.00           C  
HETATM    8  C   UNL     1       6.261  -1.267   0.480  1.00  0.00           C  
HETATM    9  C   UNL     1       7.267   1.156  -0.390  1.00  0.00           C  
HETATM   10  C   UNL     1       7.571  -1.178   0.047  1.00  0.00           C  
HETATM   11  C   UNL     1       8.074   0.034  -0.387  1.00  0.00           C  
HETATM   12  N   UNL     1       1.028   0.613   0.310  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.371   0.779   0.729  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.281   0.042  -0.220  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.813  -0.566  -1.159  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.685   2.290   0.691  1.00  0.00           C  
HETATM   17  C   UNL     1       0.383   2.841  -0.290  1.00  0.00           C  
HETATM   18  C   UNL     1       1.604   1.944   0.045  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.615   0.059  -0.024  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.499  -0.657  -0.947  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.930  -0.481  -0.509  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.691   0.579  -0.978  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.000   0.708  -0.555  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.526  -0.161   0.285  1.00  0.00           N1+
HETATM   25  C   UNL     1      -8.918   0.010   0.711  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.833  -1.181   0.752  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.520  -1.378   0.369  1.00  0.00           C  
HETATM   28  H   UNL     1       4.398  -1.945  -1.116  1.00  0.00           H  
HETATM   29  H   UNL     1       3.326  -2.621  -0.038  1.00  0.00           H  
HETATM   30  H   UNL     1       3.269   0.152  -1.040  1.00  0.00           H  
HETATM   31  H   UNL     1       3.941  -1.027   1.693  1.00  0.00           H  
HETATM   32  H   UNL     1       3.715   0.708   1.369  1.00  0.00           H  
HETATM   33  H   UNL     1       5.325   1.943   0.036  1.00  0.00           H  
HETATM   34  H   UNL     1       5.869  -2.214   0.822  1.00  0.00           H  
HETATM   35  H   UNL     1       7.660   2.104  -0.729  1.00  0.00           H  
HETATM   36  H   UNL     1       8.201  -2.055   0.049  1.00  0.00           H  
HETATM   37  H   UNL     1       9.098   0.105  -0.723  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.503   0.397   1.741  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.689   2.465   0.306  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.566   2.734   1.679  1.00  0.00           H  
HETATM   41  H   UNL     1       0.069   2.708  -1.326  1.00  0.00           H  
HETATM   42  H   UNL     1       0.601   3.889  -0.082  1.00  0.00           H  
HETATM   43  H   UNL     1       2.120   2.318   0.929  1.00  0.00           H  
HETATM   44  H   UNL     1       2.286   1.901  -0.804  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.989   0.546   0.727  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.375  -0.257  -1.953  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.246  -1.717  -0.943  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.265   1.295  -1.666  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.599   1.531  -0.916  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.575  -0.524   0.024  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.042  -0.390   1.717  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.171   1.070   0.707  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.298  -1.873   1.439  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.958  -2.218   0.751  1.00  0.00           H  
CONECT    1    2   28   29                                            
CONECT    2    5    1    3   30                                       
CONECT    3    2   12    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   31   32                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   33                                       
CONECT    8    6   10   10   34                                       
CONECT    9    7   11   11   35                                       
CONECT   10   11    8    8   36                                       
CONECT   11    9    9   10   37                                       
CONECT   12    3   13   18                                            
CONECT   13   12   14   16   38                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   12   17   43   44                                       
CONECT   19   14   20   45                                            
CONECT   20   19   21   46   47                                       
CONECT   21   20   22   22   27                                       
CONECT   22   21   21   23   48                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   50   51   52                                       
CONECT   26   24   27   27   53                                       
CONECT   27   21   26   26   54                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
