COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.213   5.695  -0.777  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.310   5.466   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.744   4.023   0.229  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.772   3.634  -0.610  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.174   2.315  -0.647  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.540   1.372   0.165  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.502   1.772   1.010  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.107   3.094   1.033  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.933   0.061   0.133  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.033  -0.894   0.084  1.00  0.00           C  
HETATM   11  S   UNL     1      -3.273  -0.687   0.061  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.921  -2.425  -0.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.706  -3.024  -0.045  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.490  -2.212  -0.207  1.00  0.00           C  
HETATM   15  C   UNL     1       0.768  -2.727   0.126  1.00  0.00           C  
HETATM   16  C   UNL     1       1.888  -1.924  -0.045  1.00  0.00           C  
HETATM   17  N   UNL     1       3.146  -2.420   0.282  1.00  0.00           N  
HETATM   18  C   UNL     1       4.262  -1.584   0.224  1.00  0.00           C  
HETATM   19  C   UNL     1       4.134  -0.234   0.531  1.00  0.00           C  
HETATM   20  C   UNL     1       5.234   0.594   0.474  1.00  0.00           C  
HETATM   21  C   UNL     1       6.478   0.075   0.109  1.00  0.00           C  
HETATM   22  C   UNL     1       6.603  -1.280  -0.199  1.00  0.00           C  
HETATM   23  C   UNL     1       5.501  -2.105  -0.135  1.00  0.00           C  
HETATM   24  C   UNL     1       7.660   0.961   0.046  1.00  0.00           C  
HETATM   25  N   UNL     1       8.922   0.600  -0.296  1.00  0.00           N  
HETATM   26  N   UNL     1       9.681   1.780  -0.207  1.00  0.00           N  
HETATM   27  N   UNL     1       8.875   2.716   0.161  1.00  0.00           N  
HETATM   28  N   UNL     1       7.687   2.252   0.308  1.00  0.00           N  
HETATM   29  N   UNL     1       1.772  -0.691  -0.515  1.00  0.00           N  
HETATM   30  C   UNL     1       0.602  -0.172  -0.839  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.559  -0.901  -0.706  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.243  -3.069  -0.002  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.380  -4.277  -0.041  1.00  0.00           O  
HETATM   34  N   UNL     1      -5.273  -2.240   0.049  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.644  -2.754   0.062  1.00  0.00           C  
HETATM   36  H   UNL     1      -2.361   5.054  -0.553  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.598   5.455  -1.769  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.900   6.738  -0.752  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.926   5.706   1.256  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.163   6.107   0.041  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.262   4.364  -1.237  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.977   2.012  -1.303  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.007   1.048   1.640  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.303   3.404   1.683  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.631  -4.098   0.041  1.00  0.00           H  
HETATM   46  H   UNL     1       0.867  -3.732   0.509  1.00  0.00           H  
HETATM   47  H   UNL     1       3.248  -3.347   0.549  1.00  0.00           H  
HETATM   48  H   UNL     1       3.172   0.166   0.814  1.00  0.00           H  
HETATM   49  H   UNL     1       5.135   1.642   0.712  1.00  0.00           H  
HETATM   50  H   UNL     1       7.564  -1.684  -0.482  1.00  0.00           H  
HETATM   51  H   UNL     1       5.598  -3.155  -0.368  1.00  0.00           H  
HETATM   52  H   UNL     1       9.234  -0.283  -0.548  1.00  0.00           H  
HETATM   53  H   UNL     1       0.555   0.837  -1.219  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.511  -0.468  -0.975  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.006  -2.850  -0.962  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.662  -3.730   0.546  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.286  -2.064   0.610  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3   39   40                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   41                                       
CONECT    5    4    4    6   42                                       
CONECT    6    7    7    5    9                                       
CONECT    7    8    6    6   43                                       
CONECT    8    3    3    7   44                                       
CONECT    9    6   10   10                                            
CONECT   10   11    9    9   34                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   32                                       
CONECT   13   14   12   12   45                                       
CONECT   14   31   31   15   13                                       
CONECT   15   16   16   14   46                                       
CONECT   16   29   17   15   15                                       
CONECT   17   16   18   47                                            
CONECT   18   17   23   23   19                                       
CONECT   19   18   20   20   48                                       
CONECT   20   19   19   21   49                                       
CONECT   21   22   22   20   24                                       
CONECT   22   23   21   21   50                                       
CONECT   23   18   18   22   51                                       
CONECT   24   21   28   28   25                                       
CONECT   25   24   26   52                                            
CONECT   26   25   27   27                                            
CONECT   27   28   26   26                                            
CONECT   28   24   24   27                                            
CONECT   29   30   30   16                                            
CONECT   30   29   29   31   53                                       
CONECT   31   30   14   14   54                                       
CONECT   32   12   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   10   32   35                                            
CONECT   35   34   55   56   57                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   35                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
