COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.839   2.065  -1.673  1.00  0.00           O  
HETATM    2  C   UNL     1       0.900   2.509  -0.692  1.00  0.00           C  
HETATM    3  C   UNL     1       1.273   3.918  -0.230  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.504   2.526  -1.301  1.00  0.00           C  
HETATM    5  C   UNL     1       0.924   1.556   0.505  1.00  0.00           C  
HETATM    6  N   UNL     1       0.566   0.206   0.062  1.00  0.00           N  
HETATM    7  C   UNL     1       1.422  -0.741  -0.410  1.00  0.00           C  
HETATM    8  C   UNL     1       2.911  -0.564  -0.563  1.00  0.00           C  
HETATM    9  O   UNL     1       3.565  -0.969   0.641  1.00  0.00           O  
HETATM   10  C   UNL     1       4.988  -0.840   0.601  1.00  0.00           C  
HETATM   11  C   UNL     1       5.578  -1.299   1.936  1.00  0.00           C  
HETATM   12  N   UNL     1       0.762  -1.822  -0.710  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.554  -1.636  -0.449  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.708  -2.443  -0.576  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.577  -3.731  -1.067  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.688  -0.338   0.053  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.022   0.119   0.418  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.249   1.401   0.928  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.517   1.783   1.256  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.588   0.911   1.089  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.399  -0.345   0.594  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.109  -0.772   0.245  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.899  -2.005  -0.241  1.00  0.00           N  
HETATM   24  H   UNL     1       2.751   2.028  -1.356  1.00  0.00           H  
HETATM   25  H   UNL     1       1.255   4.597  -1.083  1.00  0.00           H  
HETATM   26  H   UNL     1       0.557   4.257   0.519  1.00  0.00           H  
HETATM   27  H   UNL     1       2.273   3.906   0.204  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.770   1.522  -1.630  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.220   2.865  -0.552  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.521   3.205  -2.154  1.00  0.00           H  
HETATM   31  H   UNL     1       1.924   1.543   0.939  1.00  0.00           H  
HETATM   32  H   UNL     1       0.208   1.895   1.253  1.00  0.00           H  
HETATM   33  H   UNL     1       3.266  -1.177  -1.393  1.00  0.00           H  
HETATM   34  H   UNL     1       3.134   0.483  -0.764  1.00  0.00           H  
HETATM   35  H   UNL     1       5.386  -1.458  -0.203  1.00  0.00           H  
HETATM   36  H   UNL     1       5.254   0.202   0.425  1.00  0.00           H  
HETATM   37  H   UNL     1       5.180  -0.681   2.741  1.00  0.00           H  
HETATM   38  H   UNL     1       5.312  -2.341   2.113  1.00  0.00           H  
HETATM   39  H   UNL     1       6.664  -1.201   1.906  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.360  -4.297  -1.160  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.703  -4.069  -1.319  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.424   2.085   1.062  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.692   2.773   1.650  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.583   1.234   1.355  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.241  -1.010   0.471  1.00  0.00           H  
CONECT    1    2   24                                                 
CONECT    2    5    1    4    3                                       
CONECT    3    2   25   26   27                                       
CONECT    4    2   28   29   30                                       
CONECT    5    6    2   31   32                                       
CONECT    6   16    7    5                                            
CONECT    7   12   12    8    6                                       
CONECT    8    7    9   33   34                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   35   36                                       
CONECT   11   10   37   38   39                                       
CONECT   12   13    7    7                                            
CONECT   13   14   12   16   16                                       
CONECT   14   15   23   23   13                                       
CONECT   15   14   40   41                                            
CONECT   16   13   13   17    6                                       
CONECT   17   22   16   18   18                                       
CONECT   18   17   17   19   42                                       
CONECT   19   20   20   18   43                                       
CONECT   20   21   19   19   44                                       
CONECT   21   22   22   20   45                                       
CONECT   22   23   21   21   17                                       
CONECT   23   14   14   22                                            
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
