COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.664   0.399   0.189  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.987   0.313   0.241  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.740   1.403   0.188  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.214   2.616   0.083  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.904   2.789   0.025  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.068   1.672   0.076  1.00  0.00           C  
HETATM    7  N   UNL     1       0.117  -0.739   0.249  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.114   1.272   0.245  1.00  0.00           N  
HETATM    9  C   UNL     1       1.399   1.820   0.015  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.515  -2.055   0.371  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.882  -2.620  -1.024  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.939  -4.147  -0.811  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.065  -4.452   0.418  1.00  0.00           C  
HETATM   14  C   UNL     1       0.494  -3.101   0.909  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.155  -2.125  -1.444  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.287  -4.556  -0.567  1.00  0.00           O  
HETATM   17  C   UNL     1       1.084  -5.384   0.025  1.00  0.00           C  
HETATM   18  O   UNL     1       1.819  -5.753   1.193  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.966   2.462   0.190  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.435   2.041   0.271  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.326   3.284   0.212  1.00  0.00           C  
HETATM   22  S   UNL     1       2.249   3.353  -0.126  1.00  0.00           S  
HETATM   23  C   UNL     1       3.796   2.511  -0.118  1.00  0.00           C  
HETATM   24  C   UNL     1       3.552   1.137  -0.010  1.00  0.00           C  
HETATM   25  N   UNL     1       2.241   0.842   0.062  1.00  0.00           N  
HETATM   26  C   UNL     1       5.102   2.989  -0.203  1.00  0.00           C  
HETATM   27  C   UNL     1       6.164   2.113  -0.182  1.00  0.00           C  
HETATM   28  C   UNL     1       5.935   0.749  -0.075  1.00  0.00           C  
HETATM   29  C   UNL     1       4.657   0.259   0.016  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.487   3.782  -0.062  1.00  0.00           H  
HETATM   31  H   UNL     1       1.084  -0.667   0.210  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.514   0.391   0.322  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.396  -2.001   1.010  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.114  -2.363  -1.753  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.546  -4.661  -1.687  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.668  -4.913   1.200  1.00  0.00           H  
HETATM   37  H   UNL     1       1.485  -2.924   0.491  1.00  0.00           H  
HETATM   38  H   UNL     1       0.527  -3.074   1.998  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.435  -2.447  -2.312  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.893  -4.371  -1.297  1.00  0.00           H  
HETATM   41  H   UNL     1       0.680  -6.279  -0.448  1.00  0.00           H  
HETATM   42  H   UNL     1       1.745  -4.871  -0.673  1.00  0.00           H  
HETATM   43  H   UNL     1       2.564  -6.344   1.019  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.730   3.118   1.027  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.791   2.991  -0.747  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.672   1.385  -0.567  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.611   1.512   1.207  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.372   2.984   0.270  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.089   3.940   1.050  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.150   3.813  -0.725  1.00  0.00           H  
HETATM   51  H   UNL     1       5.281   4.051  -0.286  1.00  0.00           H  
HETATM   52  H   UNL     1       7.174   2.487  -0.253  1.00  0.00           H  
HETATM   53  H   UNL     1       6.772   0.066  -0.059  1.00  0.00           H  
HETATM   54  H   UNL     1       4.495  -0.805   0.098  1.00  0.00           H  
CONECT    1    6    7    2    2                                       
CONECT    2    1    1    3                                            
CONECT    3    4    4    2    8                                       
CONECT    4    5    3    3                                            
CONECT    5    6    6    4   30                                       
CONECT    6    9    5    5    1                                       
CONECT    7    1   10   31                                            
CONECT    8    3   19   32                                            
CONECT    9   22   25   25    6                                       
CONECT   10    7   14   11   33                                       
CONECT   11   10   12   15   34                                       
CONECT   12   13   11   16   35                                       
CONECT   13   17   14   12   36                                       
CONECT   14   13   10   37   38                                       
CONECT   15   11   39                                                 
CONECT   16   12   40                                                 
CONECT   17   18   13   41   42                                       
CONECT   18   17   43                                                 
CONECT   19    8   20   44   45                                       
CONECT   20   19   21   46   47                                       
CONECT   21   20   48   49   50                                       
CONECT   22   23    9                                                 
CONECT   23   26   26   24   22                                       
CONECT   24   29   29   23   25                                       
CONECT   25   24    9    9                                            
CONECT   26   27   23   23   51                                       
CONECT   27   28   28   26   52                                       
CONECT   28   27   27   29   53                                       
CONECT   29   28   24   24   54                                       
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
