COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.028   1.455   0.989  1.00  0.00           N  
HETATM    2  N   UNL     1       3.354   1.123  -1.030  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.469   1.486   0.058  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.335   0.227  -0.511  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.431  -0.624  -0.579  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.653  -0.218  -0.083  1.00  0.00           C  
HETATM    7  C   UNL     1       0.012  -1.445  -1.756  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.594  -3.247  -0.078  1.00  0.00           C  
HETATM    9  C   UNL     1       0.999   0.576  -0.819  1.00  0.00           C  
HETATM   10  C   UNL     1       5.014   2.093   0.084  1.00  0.00           C  
HETATM   11  C   UNL     1       6.082   1.242   2.050  1.00  0.00           C  
HETATM   12  C   UNL     1       4.176   0.965   0.061  1.00  0.00           C  
HETATM   13  O   UNL     1       0.934   1.561  -0.114  1.00  0.00           O  
HETATM   14  C   UNL     1       2.304   0.204  -1.476  1.00  0.00           C  
HETATM   15  C   UNL     1       4.304  -0.014   1.041  1.00  0.00           C  
HETATM   16  C   UNL     1       5.253   0.129   2.027  1.00  0.00           C  
HETATM   17  C   UNL     1       5.972   2.214   1.099  1.00  0.00           C  
HETATM   18  N   UNL     1       4.675   2.876  -0.960  1.00  0.00           N  
HETATM   19  N   UNL     1       3.716   2.339  -1.628  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.095  -0.186  -1.015  1.00  0.00           N  
HETATM   21  C   UNL     1       0.363  -2.560  -0.804  1.00  0.00           C  
HETATM   22  C   UNL     1       1.619  -2.958  -0.599  1.00  0.00           C  
HETATM   23  S   UNL     1       1.636  -4.273   0.570  1.00  0.00           S  
HETATM   24  C   UNL     1      -0.114  -4.201   0.722  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.692   1.893   0.555  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.787   1.042   0.486  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.167   1.016   0.418  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.120   0.353  -0.600  1.00  0.00           O  
HETATM   29  N   UNL     1      -7.358   1.314   0.975  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.596   0.837   0.354  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.067   2.053   1.752  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.617   2.147   0.115  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.326  -1.604  -1.022  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.505  -0.879  -0.137  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.941  -1.665  -2.238  1.00  0.00           H  
HETATM   36  H   UNL     1       0.791  -1.356  -2.514  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.648  -3.025  -0.150  1.00  0.00           H  
HETATM   38  H   UNL     1       6.823   1.341   2.830  1.00  0.00           H  
HETATM   39  H   UNL     1       2.197   0.272  -2.559  1.00  0.00           H  
HETATM   40  H   UNL     1       2.572  -0.816  -1.200  1.00  0.00           H  
HETATM   41  H   UNL     1       3.661  -0.882   1.027  1.00  0.00           H  
HETATM   42  H   UNL     1       5.354  -0.631   2.789  1.00  0.00           H  
HETATM   43  H   UNL     1       6.623   3.075   1.128  1.00  0.00           H  
HETATM   44  H   UNL     1       2.491  -2.541  -1.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.711  -4.836   1.361  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.796   2.873   0.997  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.395   1.843   1.786  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.671   1.235  -0.658  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.587  -0.252   0.316  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.450   1.173   0.941  1.00  0.00           H  
CONECT    1   26   27   31                                            
CONECT    2   19   12   14                                            
CONECT    3    4    4   25   32                                       
CONECT    4   20    3    3    5                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5   26   34                                       
CONECT    7   20   21   35   36                                       
CONECT    8   21   24   24   37                                       
CONECT    9   14   13   13   20                                       
CONECT   10   18   17   17   12                                       
CONECT   11   17   16   16   38                                       
CONECT   12   10    2   15   15                                       
CONECT   13    9    9                                                 
CONECT   14    2    9   39   40                                       
CONECT   15   12   12   16   41                                       
CONECT   16   11   11   15   42                                       
CONECT   17   10   10   11   43                                       
CONECT   18   19   19   10                                            
CONECT   19   18   18    2                                            
CONECT   20    9    7    4                                            
CONECT   21   22   22    7    8                                       
CONECT   22   23   21   21   44                                       
CONECT   23   22   24                                                 
CONECT   24   23    8    8   45                                       
CONECT   25    3   26   26   46                                       
CONECT   26   25   25    6    1                                       
CONECT   27    1   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   47                                            
CONECT   30   29   48   49   50                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
