COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.750   1.791  -0.692  1.00  0.00           C  
HETATM    2  C   UNL     1       3.923   0.951  -1.125  1.00  0.00           C  
HETATM    3  C   UNL     1       0.617   3.298   0.101  1.00  0.00           C  
HETATM    4  C   UNL     1       1.858   3.901   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       5.556  -0.545  -0.107  1.00  0.00           C  
HETATM    6  C   UNL     1       6.139  -1.248   1.092  1.00  0.00           C  
HETATM    7  C   UNL     1       7.881  -2.757   1.748  1.00  0.00           C  
HETATM    8  C   UNL     1       0.496   1.941  -0.206  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.978   1.475   1.164  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.099  -2.693  -0.632  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.309  -3.312  -0.540  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.212  -2.462  -0.147  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.641  -1.245   0.036  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.280  -1.384  -0.268  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.450  -0.252  -0.156  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.012   0.968   0.254  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.996   1.895   0.278  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.821   1.282  -0.105  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.070  -0.024  -0.374  1.00  0.00           C  
HETATM   20  N   UNL     1       1.558   1.239  -0.589  1.00  0.00           N  
HETATM   21  C   UNL     1       2.940   3.130  -0.403  1.00  0.00           C  
HETATM   22  N   UNL     1       4.490   0.268   0.041  1.00  0.00           N  
HETATM   23  O   UNL     1       6.044  -0.711  -1.205  1.00  0.00           O  
HETATM   24  O   UNL     1       7.252  -2.045   0.681  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.312   1.052   0.532  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.121   0.014   0.444  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.466   0.167   0.748  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.836  -3.312  -1.041  1.00  0.00           C  
HETATM   29  H   UNL     1       3.591   0.211  -1.853  1.00  0.00           H  
HETATM   30  H   UNL     1       4.682   1.590  -1.576  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.245   3.868   0.413  1.00  0.00           H  
HETATM   32  H   UNL     1       1.983   4.949   0.232  1.00  0.00           H  
HETATM   33  H   UNL     1       6.471  -0.508   1.820  1.00  0.00           H  
HETATM   34  H   UNL     1       5.381  -1.887   1.543  1.00  0.00           H  
HETATM   35  H   UNL     1       7.159  -3.428   2.213  1.00  0.00           H  
HETATM   36  H   UNL     1       8.716  -3.338   1.355  1.00  0.00           H  
HETATM   37  H   UNL     1       8.250  -2.049   2.490  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.803   2.203   0.372  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.048   1.401   1.359  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.465   1.794   2.071  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.491  -4.354  -0.759  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.091   2.828   0.525  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.346  -0.758  -0.697  1.00  0.00           H  
HETATM   44  H   UNL     1       3.921   3.572  -0.490  1.00  0.00           H  
HETATM   45  H   UNL     1       4.100   0.400   0.918  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.067  -0.592   0.685  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.721  -3.225  -2.121  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.007  -2.808  -0.545  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.841  -4.366  -0.760  1.00  0.00           H  
CONECT    1    2   20   20   21                                       
CONECT    2   22    1   29   30                                       
CONECT    3    8    8    4   31                                       
CONECT    4   21   21    3   32                                       
CONECT    5   23   23    6   22                                       
CONECT    6   24    5   33   34                                       
CONECT    7   24   35   36   37                                       
CONECT    8   20   18    3    3                                       
CONECT    9   27   38   39   40                                       
CONECT   10   14   11   28                                            
CONECT   11   12   12   10   41                                       
CONECT   12   13   11   11                                            
CONECT   13   26   12   14   14                                       
CONECT   14   13   13   15   10                                       
CONECT   15   16   16   14   19                                       
CONECT   16   25   17   15   15                                       
CONECT   17   16   18   42                                            
CONECT   18   17    8   19   19                                       
CONECT   19   18   18   15   43                                       
CONECT   20    1    1    8                                            
CONECT   21    1    4    4   44                                       
CONECT   22    5    2   45                                            
CONECT   23    5    5                                                 
CONECT   24    6    7                                                 
CONECT   25   26   26   16                                            
CONECT   26   27   25   25   13                                       
CONECT   27    9   26   46                                            
CONECT   28   10   47   48   49                                       
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
