COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.622   3.070   0.092  1.00  0.00           C  
HETATM    2  O   UNL     1       6.372   2.983  -0.594  1.00  0.00           O  
HETATM    3  C   UNL     1       5.646   1.848  -0.413  1.00  0.00           C  
HETATM    4  C   UNL     1       4.422   1.698  -1.050  1.00  0.00           C  
HETATM    5  C   UNL     1       3.684   0.545  -0.867  1.00  0.00           C  
HETATM    6  C   UNL     1       6.131   0.837   0.403  1.00  0.00           C  
HETATM    7  C   UNL     1       5.395  -0.317   0.587  1.00  0.00           C  
HETATM    8  C   UNL     1       4.167  -0.465  -0.045  1.00  0.00           C  
HETATM    9  N   UNL     1       3.420  -1.633   0.141  1.00  0.00           N  
HETATM   10  C   UNL     1       2.035  -1.579   0.132  1.00  0.00           C  
HETATM   11  N   UNL     1       1.402  -0.412   0.052  1.00  0.00           N  
HETATM   12  C   UNL     1       0.076  -0.352   0.043  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.536   0.889  -0.042  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.923   0.991   0.061  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.490   1.737   1.090  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.604   2.433   2.091  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.858   1.840   1.194  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.680   1.193   0.264  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.142   1.301   0.371  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.933   0.676  -0.527  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.357   0.781  -0.423  1.00  0.00           C  
HETATM   22  N   UNL     1      -9.487   0.865  -0.340  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.105   0.443  -0.769  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.736   0.350  -0.869  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.116  -0.452  -1.985  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.680  -1.433   0.112  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.125  -2.647   0.194  1.00  0.00           C  
HETATM   28  C   UNL     1       1.275  -2.749   0.201  1.00  0.00           C  
HETATM   29  N   UNL     1       1.560  -4.097   0.293  1.00  0.00           N  
HETATM   30  C   UNL     1       0.378  -4.752   0.338  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.609  -3.901   0.275  1.00  0.00           N  
HETATM   32  H   UNL     1       8.098   4.023  -0.139  1.00  0.00           H  
HETATM   33  H   UNL     1       7.453   2.999   1.166  1.00  0.00           H  
HETATM   34  H   UNL     1       8.270   2.253  -0.229  1.00  0.00           H  
HETATM   35  H   UNL     1       4.047   2.484  -1.689  1.00  0.00           H  
HETATM   36  H   UNL     1       2.732   0.429  -1.362  1.00  0.00           H  
HETATM   37  H   UNL     1       7.086   0.952   0.895  1.00  0.00           H  
HETATM   38  H   UNL     1       5.773  -1.103   1.223  1.00  0.00           H  
HETATM   39  H   UNL     1       3.871  -2.481   0.276  1.00  0.00           H  
HETATM   40  H   UNL     1       0.000   1.687  -0.172  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.373   3.437   1.735  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.119   2.497   3.049  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.679   1.869   2.212  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.298   2.420   1.993  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.584   1.880   1.168  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.491   0.097  -1.325  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.736  -0.058  -1.489  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.092  -1.505  -1.706  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.708  -0.330  -2.892  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.100  -0.100  -2.164  1.00  0.00           H  
HETATM   51  H   UNL     1       2.442  -4.499   0.320  1.00  0.00           H  
HETATM   52  H   UNL     1       0.267  -5.823   0.411  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    3    1                                                 
CONECT    3    6    2    4    4                                       
CONECT    4    3    3    5   35                                       
CONECT    5    8    8    4   36                                       
CONECT    6    7    7    3   37                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7    9    5    5                                       
CONECT    9    8   10   39                                            
CONECT   10   28    9   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   26   26   11   13                                       
CONECT   13   12   14   40                                            
CONECT   14   13   15   15   24                                       
CONECT   15   16   14   14   17                                       
CONECT   16   15   41   42   43                                       
CONECT   17   15   18   18   44                                       
CONECT   18   17   17   23   19                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   22                                       
CONECT   22   21   21   21                                            
CONECT   23   24   24   18   47                                       
CONECT   24   14   25   23   23                                       
CONECT   25   24   48   49   50                                       
CONECT   26   27   12   12                                            
CONECT   27   31   28   28   26                                       
CONECT   28   29   27   27   10                                       
CONECT   29   30   28   51                                            
CONECT   30   29   31   31   52                                       
CONECT   31   30   30   27                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
