COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.002   1.355   0.140  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.835   3.507   0.087  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.209   0.814   0.112  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.274   0.102   0.030  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.688  -0.973  -0.625  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.108  -1.296   0.688  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.486  -0.063   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.522  -2.370   0.033  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.310  -2.205  -0.622  1.00  0.00           C  
HETATM   10  C   UNL     1       2.450   1.096   0.221  1.00  0.00           C  
HETATM   11  C   UNL     1       2.964   1.367  -1.212  1.00  0.00           C  
HETATM   12  C   UNL     1       4.452   0.972  -1.187  1.00  0.00           C  
HETATM   13  C   UNL     1       5.705  -0.489   0.189  1.00  0.00           C  
HETATM   14  N   UNL     1       0.184   2.670   0.128  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.135   2.985   0.056  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.289   1.584   0.070  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.639   1.353   0.033  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.369   3.534   0.013  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.264   2.609  -0.002  1.00  0.00           N  
HETATM   20  O   UNL     1      -6.134  -3.583   0.035  1.00  0.00           O  
HETATM   21  N   UNL     1       1.103   0.523   0.189  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.474  -4.644  -0.659  1.00  0.00           C  
HETATM   23  N   UNL     1       4.762   0.534   0.191  1.00  0.00           N  
HETATM   24  C   UNL     1       3.474   0.070   0.768  1.00  0.00           C  
HETATM   25  C   UNL     1       5.407  -1.739   0.731  1.00  0.00           C  
HETATM   26  C   UNL     1       6.367  -2.727   0.705  1.00  0.00           C  
HETATM   27  N   UNL     1       7.556  -2.503   0.175  1.00  0.00           N  
HETATM   28  C   UNL     1       7.877  -1.334  -0.347  1.00  0.00           C  
HETATM   29  C   UNL     1       6.972  -0.293  -0.360  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.671   4.575   0.078  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.745  -0.845  -1.136  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.051  -1.425   1.199  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.942   0.772   1.196  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.854  -3.041  -1.132  1.00  0.00           H  
HETATM   35  H   UNL     1       2.465   2.010   0.816  1.00  0.00           H  
HETATM   36  H   UNL     1       2.421   0.753  -1.930  1.00  0.00           H  
HETATM   37  H   UNL     1       2.857   2.424  -1.458  1.00  0.00           H  
HETATM   38  H   UNL     1       4.631   0.155  -1.885  1.00  0.00           H  
HETATM   39  H   UNL     1       5.069   1.831  -1.454  1.00  0.00           H  
HETATM   40  H   UNL     1       0.985  -0.440   0.202  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.492  -4.811  -0.217  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.068  -5.555  -0.580  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.359  -4.375  -1.709  1.00  0.00           H  
HETATM   44  H   UNL     1       3.507   0.101   1.857  1.00  0.00           H  
HETATM   45  H   UNL     1       3.236  -0.935   0.418  1.00  0.00           H  
HETATM   46  H   UNL     1       4.437  -1.929   1.166  1.00  0.00           H  
HETATM   47  H   UNL     1       6.145  -3.698   1.122  1.00  0.00           H  
HETATM   48  H   UNL     1       8.860  -1.191  -0.770  1.00  0.00           H  
HETATM   49  H   UNL     1       7.240   0.660  -0.793  1.00  0.00           H  
CONECT    1   14   21    3    3                                       
CONECT    2   14   14   15   30                                       
CONECT    3    1    1   16                                            
CONECT    4   17    7    7    5                                       
CONECT    5    4    9    9   31                                       
CONECT    6    7    8    8   32                                       
CONECT    7    4    4    6   33                                       
CONECT    8    6    6    9   20                                       
CONECT    9    5    5    8   34                                       
CONECT   10   21   24   11   35                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11   23   38   39                                       
CONECT   13   25   25   29   23                                       
CONECT   14    2    2    1                                            
CONECT   15    2   18   16   16                                       
CONECT   16   15   15    3   17                                       
CONECT   17   16   19    4                                            
CONECT   18   15   19   19                                            
CONECT   19   18   18   17                                            
CONECT   20    8   22                                                 
CONECT   21    1   10   40                                            
CONECT   22   20   41   42   43                                       
CONECT   23   24   13   12                                            
CONECT   24   10   23   44   45                                       
CONECT   25   26   13   13   46                                       
CONECT   26   27   27   25   47                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   48                                       
CONECT   29   28   28   13   49                                       
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
