COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.876   0.837   0.307  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.751   1.474  -0.794  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.638   3.630  -0.184  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.122   3.061   0.969  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.381   2.903  -1.029  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.631   1.836   1.357  1.00  0.00           N  
HETATM    7  C   UNL     1       0.405   0.265  -0.241  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.172   0.339   0.815  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.818  -0.248   0.886  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.180   1.377  -0.231  1.00  0.00           C  
HETATM   11  C   UNL     1       1.552   0.179   0.428  1.00  0.00           C  
HETATM   12  C   UNL     1       2.607  -0.388  -0.284  1.00  0.00           C  
HETATM   13  S   UNL     1       0.606  -0.395  -1.859  1.00  0.00           S  
HETATM   14  C   UNL     1       2.296  -0.760  -1.539  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.125  -0.638   0.554  1.00  0.00           C  
HETATM   16  N   UNL     1       8.125  -2.362  -1.312  1.00  0.00           N  
HETATM   17  N   UNL     1       0.807   3.657   1.659  1.00  0.00           N  
HETATM   18  C   UNL     1       3.962  -0.567   0.294  1.00  0.00           C  
HETATM   19  C   UNL     1       7.293  -1.894  -0.696  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.775   3.435  -2.045  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.747  -1.899   0.398  1.00  0.00           N  
HETATM   22  C   UNL     1       4.974  -1.140  -0.468  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.371   5.039  -0.480  1.00  0.00           C  
HETATM   24  C   UNL     1       6.245  -1.304   0.082  1.00  0.00           C  
HETATM   25  C   UNL     1       4.224  -0.154   1.601  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.467  -0.285   0.465  1.00  0.00           C  
HETATM   27  C   UNL     1       5.484  -0.319   2.141  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.623  -2.859   0.149  1.00  0.00           C  
HETATM   29  C   UNL     1       6.493  -0.893   1.393  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.409  -1.267   0.205  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.977  -2.573   0.042  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.192  -4.136  -0.005  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.787  -4.366   0.115  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.670   0.900  -1.717  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.766  -1.154   0.282  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.554  -0.466   1.920  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.474   2.335   0.199  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.873   1.098  -1.025  1.00  0.00           H  
HETATM   39  H   UNL     1       1.657   0.524   1.447  1.00  0.00           H  
HETATM   40  H   UNL     1       2.978  -1.216  -2.241  1.00  0.00           H  
HETATM   41  H   UNL     1       1.151   4.517   1.369  1.00  0.00           H  
HETATM   42  H   UNL     1       4.777  -1.457  -1.482  1.00  0.00           H  
HETATM   43  H   UNL     1       0.243   5.467   0.312  1.00  0.00           H  
HETATM   44  H   UNL     1       0.156   5.117  -1.431  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.314   5.583  -0.542  1.00  0.00           H  
HETATM   46  H   UNL     1       3.439   0.295   2.191  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.771   0.743   0.598  1.00  0.00           H  
HETATM   48  H   UNL     1       5.681   0.002   3.153  1.00  0.00           H  
HETATM   49  H   UNL     1       7.477  -1.019   1.821  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.457  -1.019   0.132  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.687  -3.362  -0.161  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.258  -3.786  -0.641  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.453  -4.062   1.107  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.579  -5.426  -0.029  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.820   1.643   2.289  1.00  0.00           H  
CONECT    1    9    7    2    6                                       
CONECT    2    1   10    5   34                                       
CONECT    3    5    4   23                                            
CONECT    4    6    3   17   17                                       
CONECT    5    2   20   20    3                                       
CONECT    6    1    4   55                                            
CONECT    7   13   11   11    1                                       
CONECT    8    9   15   10                                            
CONECT    9    8    1   35   36                                       
CONECT   10    8    2   37   38                                       
CONECT   11   12    7    7   39                                       
CONECT   12   14   14   18   11                                       
CONECT   13   14    7                                                 
CONECT   14   13   12   12   40                                       
CONECT   15   21    8   26   26                                       
CONECT   16   19   19   19                                            
CONECT   17    4    4   41                                            
CONECT   18   25   12   22   22                                       
CONECT   19   24   16   16   16                                       
CONECT   20    5    5                                                 
CONECT   21   28   28   15                                            
CONECT   22   18   18   24   42                                       
CONECT   23    3   43   44   45                                       
CONECT   24   29   29   22   19                                       
CONECT   25   27   27   18   46                                       
CONECT   26   15   15   30   47                                       
CONECT   27   25   25   29   48                                       
CONECT   28   32   21   21   31                                       
CONECT   29   27   24   24   49                                       
CONECT   30   31   31   26   50                                       
CONECT   31   28   30   30   51                                       
CONECT   32   33   28                                                 
CONECT   33   32   52   53   54                                       
CONECT   34    2                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
CONECT   55    6                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
