COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.104  -0.912  -0.269  1.00  0.00           N  
HETATM    2  C   UNL     1       6.560   0.251  -0.027  1.00  0.00           C  
HETATM    3  C   UNL     1       7.406   1.397   0.336  1.00  0.00           C  
HETATM    4  S   UNL     1       6.829   3.020   0.691  1.00  0.00           S  
HETATM    5  C   UNL     1       8.417   3.575   0.973  1.00  0.00           C  
HETATM    6  C   UNL     1       9.304   2.589   0.805  1.00  0.00           C  
HETATM    7  C   UNL     1       8.764   1.371   0.457  1.00  0.00           C  
HETATM    8  N   UNL     1       5.189   0.403  -0.112  1.00  0.00           N  
HETATM    9  C   UNL     1       4.399  -0.640  -0.601  1.00  0.00           C  
HETATM   10  C   UNL     1       3.155  -0.893  -0.039  1.00  0.00           C  
HETATM   11  C   UNL     1       4.854  -1.422  -1.655  1.00  0.00           C  
HETATM   12  C   UNL     1       4.073  -2.454  -2.139  1.00  0.00           C  
HETATM   13  C   UNL     1       2.837  -2.710  -1.577  1.00  0.00           C  
HETATM   14  C   UNL     1       2.374  -1.928  -0.527  1.00  0.00           C  
HETATM   15  O   UNL     1       1.158  -2.182   0.025  1.00  0.00           O  
HETATM   16  C   UNL     1       0.410  -3.268  -0.525  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.920  -3.399   0.220  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.715  -2.235  -0.016  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.936  -2.191   0.577  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.361  -3.248   1.371  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.603  -3.205   1.975  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.426  -2.110   1.791  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.756  -1.089   0.395  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.006  -1.050   0.998  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.839   0.058   0.813  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.964   0.625  -0.440  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.399   0.059  -1.474  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.733   1.867  -0.612  1.00  0.00           C  
HETATM   29  S   UNL     1      -7.549   2.747   0.673  1.00  0.00           S  
HETATM   30  C   UNL     1      -8.102   3.931  -0.424  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.689   3.661  -1.666  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.923   2.523  -1.792  1.00  0.00           C  
HETATM   33  H   UNL     1       8.066  -1.020  -0.210  1.00  0.00           H  
HETATM   34  H   UNL     1       8.672   4.587   1.249  1.00  0.00           H  
HETATM   35  H   UNL     1      10.366   2.736   0.937  1.00  0.00           H  
HETATM   36  H   UNL     1       9.357   0.483   0.294  1.00  0.00           H  
HETATM   37  H   UNL     1       4.776   1.235   0.169  1.00  0.00           H  
HETATM   38  H   UNL     1       2.797  -0.284   0.778  1.00  0.00           H  
HETATM   39  H   UNL     1       5.820  -1.224  -2.097  1.00  0.00           H  
HETATM   40  H   UNL     1       4.428  -3.060  -2.959  1.00  0.00           H  
HETATM   41  H   UNL     1       2.228  -3.517  -1.958  1.00  0.00           H  
HETATM   42  H   UNL     1       0.219  -3.079  -1.581  1.00  0.00           H  
HETATM   43  H   UNL     1       0.979  -4.192  -0.418  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.452  -4.280  -0.139  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.730  -3.499   1.288  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.720  -4.105   1.516  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.932  -4.029   2.591  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.398  -2.081   2.261  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.425  -0.264  -0.218  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.328   0.428   1.564  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.990  -0.816  -1.384  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.706   4.784  -0.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.935   4.291  -2.508  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.520   2.180  -2.733  1.00  0.00           H  
CONECT    1    2    2   33                                            
CONECT    2    8    1    1    3                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   34                                       
CONECT    6    7    5    5   35                                       
CONECT    7    3    3    6   36                                       
CONECT    8    9    2   37                                            
CONECT    9   11   11   10    8                                       
CONECT   10   14   14    9   38                                       
CONECT   11   12    9    9   39                                       
CONECT   12   13   13   11   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14   13   15   10   10                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   42   43                                       
CONECT   17   18   16   44   45                                       
CONECT   18   19   17                                                 
CONECT   19   23   23   20   18                                       
CONECT   20   21   21   19   46                                       
CONECT   21   22   20   20   47                                       
CONECT   22   24   24   21   48                                       
CONECT   23   24   19   19   49                                       
CONECT   24   22   22   25   23                                       
CONECT   25   26   24   50                                            
CONECT   26   28   27   27   25                                       
CONECT   27   26   26   51                                            
CONECT   28   32   32   29   26                                       
CONECT   29   30   28                                                 
CONECT   30   31   31   29   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   31   28   28   54                                       
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
