COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.346  -1.535  -0.356  1.00  0.00           C  
HETATM    2  C   UNL     1       1.592  -0.534   0.576  1.00  0.00           C  
HETATM    3  C   UNL     1       2.609  -0.722   1.536  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.039   0.078  -0.757  1.00  0.00           C  
HETATM    5  N   UNL     1       3.319  -1.869   1.527  1.00  0.00           N  
HETATM    6  N   UNL     1       2.106  -2.692  -0.309  1.00  0.00           N  
HETATM    7  C   UNL     1       0.845   3.656  -0.588  1.00  0.00           C  
HETATM    8  C   UNL     1       1.618   4.619  -1.208  1.00  0.00           C  
HETATM    9  C   UNL     1       2.964   4.723  -0.908  1.00  0.00           C  
HETATM   10  C   UNL     1       3.535   3.865   0.013  1.00  0.00           C  
HETATM   11  C   UNL     1       2.761   2.902   0.633  1.00  0.00           C  
HETATM   12  C   UNL     1       1.416   2.798   0.333  1.00  0.00           C  
HETATM   13  C   UNL     1       0.571   1.752   1.013  1.00  0.00           C  
HETATM   14  N   UNL     1       0.697   0.480   0.297  1.00  0.00           N  
HETATM   15  O   UNL     1       2.843   0.141   2.362  1.00  0.00           O  
HETATM   16  C   UNL     1       3.071  -2.830   0.620  1.00  0.00           C  
HETATM   17  O   UNL     1       3.728  -3.852   0.645  1.00  0.00           O  
HETATM   18  C   UNL     1       1.863  -3.766  -1.276  1.00  0.00           C  
HETATM   19  C   UNL     1       2.737  -3.547  -2.512  1.00  0.00           C  
HETATM   20  N   UNL     1       0.350  -1.112  -1.138  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.142   0.878  -1.401  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.469   0.463  -0.820  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.362   1.307  -0.236  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.443   0.547   0.164  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.642   0.833   0.803  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.535  -0.184   1.066  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.243  -1.489   0.698  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.068  -1.789   0.069  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.147  -0.775  -0.208  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.930  -0.754  -0.809  1.00  0.00           N  
HETATM   31  H   UNL     1       4.019  -2.003   2.185  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.207   3.577  -0.819  1.00  0.00           H  
HETATM   33  H   UNL     1       1.172   5.289  -1.928  1.00  0.00           H  
HETATM   34  H   UNL     1       3.569   5.475  -1.393  1.00  0.00           H  
HETATM   35  H   UNL     1       4.586   3.947   0.247  1.00  0.00           H  
HETATM   36  H   UNL     1       3.207   2.232   1.352  1.00  0.00           H  
HETATM   37  H   UNL     1       0.909   1.625   2.042  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.472   2.069   1.010  1.00  0.00           H  
HETATM   39  H   UNL     1       2.110  -4.726  -0.822  1.00  0.00           H  
HETATM   40  H   UNL     1       0.813  -3.762  -1.567  1.00  0.00           H  
HETATM   41  H   UNL     1       2.557  -4.346  -3.231  1.00  0.00           H  
HETATM   42  H   UNL     1       2.490  -2.587  -2.966  1.00  0.00           H  
HETATM   43  H   UNL     1       3.788  -3.551  -2.220  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.978   1.939  -1.213  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.143   0.696  -2.476  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.258   2.264  -0.122  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.874   1.848   1.092  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.468   0.037   1.563  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.951  -2.276   0.911  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.850  -2.809  -0.213  1.00  0.00           H  
CONECT    1    6   20    2    2                                       
CONECT    2    1    1    3   14                                       
CONECT    3    5    2   15   15                                       
CONECT    4   20   20   14   21                                       
CONECT    5   16    3   31                                            
CONECT    6   18   16    1                                            
CONECT    7    8   12   12   32                                       
CONECT    8    9    9    7   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   11   11   35                                       
CONECT   11   10   10   12   36                                       
CONECT   12    7    7   11   13                                       
CONECT   13   12   14   37   38                                       
CONECT   14    2    4   13                                            
CONECT   15    3    3                                                 
CONECT   16   17   17    6    5                                       
CONECT   17   16   16                                                 
CONECT   18    6   19   39   40                                       
CONECT   19   18   41   42   43                                       
CONECT   20    1    4    4                                            
CONECT   21   22    4   44   45                                       
CONECT   22   30   30   23   21                                       
CONECT   23   24   22   46                                            
CONECT   24   29   29   25   23                                       
CONECT   25   26   26   24   47                                       
CONECT   26   27   25   25   48                                       
CONECT   27   28   28   26   49                                       
CONECT   28   27   27   29   50                                       
CONECT   29   28   30   24   24                                       
CONECT   30   29   22   22                                            
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
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
