COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.980   0.813  -0.408  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.299  -0.290   0.113  1.00  0.00           C  
HETATM    3  C   UNL     1       0.177  -0.289   0.166  1.00  0.00           C  
HETATM    4  C   UNL     1       2.261   0.818  -0.151  1.00  0.00           C  
HETATM    5  C   UNL     1       3.001  -0.346  -0.252  1.00  0.00           C  
HETATM    6  O   UNL     1       0.770  -1.249   0.620  1.00  0.00           O  
HETATM    7  N   UNL     1       0.867   0.776  -0.287  1.00  0.00           N  
HETATM    8  C   UNL     1       4.391  -0.300  -0.115  1.00  0.00           C  
HETATM    9  C   UNL     1       5.186  -1.539  -0.222  1.00  0.00           C  
HETATM   10  N   UNL     1       6.526  -1.493  -0.090  1.00  0.00           N  
HETATM   11  O   UNL     1       7.289  -2.682  -0.193  1.00  0.00           O  
HETATM   12  O   UNL     1       4.631  -2.601  -0.430  1.00  0.00           O  
HETATM   13  C   UNL     1       5.026   0.921   0.123  1.00  0.00           C  
HETATM   14  C   UNL     1       4.284   2.078   0.223  1.00  0.00           C  
HETATM   15  C   UNL     1       2.902   2.033   0.093  1.00  0.00           C  
HETATM   16  O   UNL     1       2.175   3.175   0.192  1.00  0.00           O  
HETATM   17  C   UNL     1       2.897   4.385   0.431  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.015  -1.394   0.583  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.390  -1.393   0.533  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.070  -0.291   0.013  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.356   0.811  -0.457  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.551  -0.292  -0.041  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.268  -1.390   0.433  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.647  -1.385   0.380  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.318  -0.294  -0.141  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.612   0.798  -0.613  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.233   0.807  -0.560  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.428   1.669  -0.768  1.00  0.00           H  
HETATM   29  H   UNL     1       2.506  -1.288  -0.435  1.00  0.00           H  
HETATM   30  H   UNL     1       0.399   1.514  -0.709  1.00  0.00           H  
HETATM   31  H   UNL     1       6.968  -0.646   0.076  1.00  0.00           H  
HETATM   32  H   UNL     1       8.240  -2.549  -0.084  1.00  0.00           H  
HETATM   33  H   UNL     1       6.100   0.959   0.229  1.00  0.00           H  
HETATM   34  H   UNL     1       4.777   3.020   0.408  1.00  0.00           H  
HETATM   35  H   UNL     1       2.199   5.220   0.488  1.00  0.00           H  
HETATM   36  H   UNL     1       3.443   4.303   1.370  1.00  0.00           H  
HETATM   37  H   UNL     1       3.601   4.556  -0.384  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.489  -2.247   0.985  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.944  -2.247   0.896  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.883   1.666  -0.855  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.745  -2.243   0.840  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.203  -2.235   0.747  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.398  -0.295  -0.181  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.142   1.648  -1.019  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.683   1.663  -0.924  1.00  0.00           H  
CONECT    1    2   21   21   28                                       
CONECT    2    3   18   18    1                                       
CONECT    3    6    6    7    2                                       
CONECT    4   15   15    5    7                                       
CONECT    5    8    8    4   29                                       
CONECT    6    3    3                                                 
CONECT    7    4    3   30                                            
CONECT    8   13    9    5    5                                       
CONECT    9   10    8   12   12                                       
CONECT   10   11    9   31                                            
CONECT   11   10   32                                                 
CONECT   12    9    9                                                 
CONECT   13   14   14    8   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16    4    4                                       
CONECT   16   17   15                                                 
CONECT   17   16   35   36   37                                       
CONECT   18    2    2   19   38                                       
CONECT   19   18   20   20   39                                       
CONECT   20   19   19   21   22                                       
CONECT   21    1    1   20   40                                       
CONECT   22   20   27   27   23                                       
CONECT   23   22   24   24   41                                       
CONECT   24   23   23   25   42                                       
CONECT   25   26   26   24   43                                       
CONECT   26   27   25   25   44                                       
CONECT   27   22   22   26   45                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
