COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.656  -0.184  -0.517  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.563   1.570   0.222  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.726   0.723   1.184  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.385   0.716   2.564  1.00  0.00           C  
HETATM    5  C   UNL     1       6.678   3.803   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.581  -1.036  -0.387  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.549  -3.003  -0.197  1.00  0.00           C  
HETATM    8  C   UNL     1       3.054  -1.715   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.015  -0.726  -0.591  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.824   0.063  -1.624  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.134  -0.498  -1.735  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.929   1.523  -1.172  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.745   2.251  -2.092  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.600   2.921   0.685  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.642  -0.615   0.689  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.545   0.023   3.490  1.00  0.00           O  
HETATM   17  S   UNL     1       0.051  -0.537  -0.290  1.00  0.00           S  
HETATM   18  C   UNL     1       0.570  -2.215  -0.156  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.667  -2.334  -0.315  1.00  0.00           N  
HETATM   20  C   UNL     1       1.950  -2.684  -0.029  1.00  0.00           C  
HETATM   21  O   UNL     1       2.184  -3.877   0.051  1.00  0.00           O  
HETATM   22  N   UNL     1       5.166  -0.965   0.118  1.00  0.00           N  
HETATM   23  S   UNL     1       2.902   0.037  -0.094  1.00  0.00           S  
HETATM   24  N   UNL     1       4.647   2.636  -0.089  1.00  0.00           N  
HETATM   25  N   UNL     1       7.354   2.671   0.111  1.00  0.00           N  
HETATM   26  C   UNL     1       4.386  -2.013   0.115  1.00  0.00           C  
HETATM   27  C   UNL     1       4.598   0.204   0.024  1.00  0.00           C  
HETATM   28  C   UNL     1       5.321   1.493   0.017  1.00  0.00           C  
HETATM   29  C   UNL     1       5.297   3.784  -0.096  1.00  0.00           C  
HETATM   30  C   UNL     1       6.714   1.516   0.119  1.00  0.00           C  
HETATM   31  C   UNL     1       4.905  -3.423   0.228  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.513   0.774  -0.556  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.577   1.173   0.175  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.724   1.145   1.262  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.530   1.742   2.903  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.350   0.213   2.503  1.00  0.00           H  
HETATM   37  H   UNL     1       7.205   4.745   0.004  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.512  -4.081  -0.130  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.973  -1.775  -0.886  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.324   0.016  -2.591  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.142  -1.424  -2.013  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.934   1.966  -1.135  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.402   2.262  -2.997  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.111   3.517   0.119  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.901  -0.020   4.388  1.00  0.00           H  
HETATM   46  H   UNL     1       4.751   4.712  -0.181  1.00  0.00           H  
HETATM   47  H   UNL     1       7.266   0.592   0.205  1.00  0.00           H  
HETATM   48  H   UNL     1       5.106  -3.818  -0.768  1.00  0.00           H  
HETATM   49  H   UNL     1       5.826  -3.426   0.812  1.00  0.00           H  
HETATM   50  H   UNL     1       4.160  -4.046   0.723  1.00  0.00           H  
CONECT    1    6    9   32                                            
CONECT    2    3   14   12   33                                       
CONECT    3    4   15    2   34                                       
CONECT    4    3   16   35   36                                       
CONECT    5   29   29   25   37                                       
CONECT    6   17   19   19    1                                       
CONECT    7   18   18   19   38                                       
CONECT    8   23   26   26   20                                       
CONECT    9    1   15   10   39                                       
CONECT   10    9   12   11   40                                       
CONECT   11   10   41                                                 
CONECT   12    2   10   13   42                                       
CONECT   13   12   43                                                 
CONECT   14    2   44                                                 
CONECT   15    3    9                                                 
CONECT   16    4   45                                                 
CONECT   17   18    6                                                 
CONECT   18   20    7    7   17                                       
CONECT   19    7    6    6                                            
CONECT   20    8   21   21   18                                       
CONECT   21   20   20                                                 
CONECT   22   27   27   26                                            
CONECT   23   27    8                                                 
CONECT   24   29   28   28                                            
CONECT   25    5   30   30                                            
CONECT   26   22    8    8   31                                       
CONECT   27   28   23   22   22                                       
CONECT   28   24   24   30   27                                       
CONECT   29    5    5   24   46                                       
CONECT   30   25   25   28   47                                       
CONECT   31   26   48   49   50                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
