COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.819   0.563  -1.175  1.00  0.00           C  
HETATM    2  C   UNL     1       5.078  -0.886  -0.751  1.00  0.00           C  
HETATM    3  S   UNL     1       4.700   1.611   0.300  1.00  0.00           S  
HETATM    4  N   UNL     1       6.297  -0.962   0.035  1.00  0.00           N  
HETATM    5  C   UNL     1       7.444  -0.539  -0.747  1.00  0.00           C  
HETATM    6  C   UNL     1       7.283   0.912  -1.208  1.00  0.00           C  
HETATM    7  C   UNL     1       5.998   1.035  -2.037  1.00  0.00           C  
HETATM    8  C   UNL     1       3.904  -1.411   0.038  1.00  0.00           C  
HETATM    9  N   UNL     1       3.029  -2.244  -0.589  1.00  0.00           N  
HETATM   10  C   UNL     1       1.991  -2.916   0.206  1.00  0.00           C  
HETATM   11  C   UNL     1       1.118  -1.918   0.914  1.00  0.00           C  
HETATM   12  N   UNL     1       0.076  -1.354   0.273  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.924  -0.577   1.006  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.321   0.749   1.468  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.121   2.118   0.586  1.00  0.00           S  
HETATM   16  C   UNL     1       0.075   3.443   0.911  1.00  0.00           C  
HETATM   17  C   UNL     1       1.273   3.266   0.015  1.00  0.00           C  
HETATM   18  C   UNL     1       2.466   3.136   0.540  1.00  0.00           C  
HETATM   19  C   UNL     1       3.668   2.954  -0.352  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.123  -0.301   0.093  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.691   0.441  -1.049  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.735  -1.627  -0.361  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.012  -1.353  -1.158  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.533  -2.663  -1.752  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.057  -0.765  -0.246  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.806  -0.582   0.926  1.00  0.00           O  
HETATM   27  N   UNL     1      -6.272  -0.441  -0.733  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.288   0.131   0.154  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.564   0.405  -0.643  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.626   1.003   0.283  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.902   1.277  -0.514  1.00  0.00           C  
HETATM   32  O   UNL     1       1.344  -1.622   2.071  1.00  0.00           O  
HETATM   33  C   UNL     1       2.628  -3.868   1.220  1.00  0.00           C  
HETATM   34  O   UNL     1       3.757  -1.080   1.193  1.00  0.00           O  
HETATM   35  H   UNL     1       3.897   0.620  -1.745  1.00  0.00           H  
HETATM   36  H   UNL     1       5.190  -1.495  -1.656  1.00  0.00           H  
HETATM   37  H   UNL     1       6.415  -1.758   0.569  1.00  0.00           H  
HETATM   38  H   UNL     1       7.555  -1.178  -1.627  1.00  0.00           H  
HETATM   39  H   UNL     1       8.353  -0.618  -0.146  1.00  0.00           H  
HETATM   40  H   UNL     1       8.138   1.193  -1.823  1.00  0.00           H  
HETATM   41  H   UNL     1       7.225   1.567  -0.341  1.00  0.00           H  
HETATM   42  H   UNL     1       6.075   0.412  -2.928  1.00  0.00           H  
HETATM   43  H   UNL     1       5.845   2.074  -2.326  1.00  0.00           H  
HETATM   44  H   UNL     1       3.091  -2.384  -1.558  1.00  0.00           H  
HETATM   45  H   UNL     1       1.360  -3.509  -0.472  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.009  -1.464  -0.690  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.262  -1.144   1.876  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.486   0.867   2.540  1.00  0.00           H  
HETATM   49  H   UNL     1       0.748   0.758   1.260  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.388   4.409   0.715  1.00  0.00           H  
HETATM   51  H   UNL     1       0.393   3.396   1.953  1.00  0.00           H  
HETATM   52  H   UNL     1       1.145   3.249  -1.057  1.00  0.00           H  
HETATM   53  H   UNL     1       2.592   3.157   1.613  1.00  0.00           H  
HETATM   54  H   UNL     1       3.340   2.704  -1.360  1.00  0.00           H  
HETATM   55  H   UNL     1       4.247   3.877  -0.374  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.870   0.276   0.640  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.033  -0.103  -1.503  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.975  -2.235   0.512  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.022  -2.160  -0.990  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.795  -0.651  -1.963  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.790  -3.351  -0.947  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.420  -2.462  -2.354  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.762  -3.110  -2.380  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.473  -0.587  -1.670  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.916   1.065   0.578  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.505  -0.571   0.959  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.936  -0.528  -1.066  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.347   1.108  -1.447  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.254   1.936   0.707  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.843   0.301   1.088  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.274   0.344  -0.937  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.658   1.703   0.146  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.685   1.980  -1.318  1.00  0.00           H  
HETATM   74  H   UNL     1       3.278  -3.305   1.890  1.00  0.00           H  
HETATM   75  H   UNL     1       1.845  -4.357   1.800  1.00  0.00           H  
HETATM   76  H   UNL     1       3.214  -4.621   0.694  1.00  0.00           H  
CONECT    1    2    3    7   35                                       
CONECT    2    1    4    8   36                                       
CONECT    3    1   19                                                 
CONECT    4    2    5   37                                            
CONECT    5    4    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    1    6   42   43                                       
CONECT    8    2    9   34   34                                       
CONECT    9    8   10   44                                            
CONECT   10    9   11   33   45                                       
CONECT   11   10   12   32   32                                       
CONECT   12   11   13   46                                            
CONECT   13   12   14   20   47                                       
CONECT   14   13   15   48   49                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   18   52                                       
CONECT   18   17   17   19   53                                       
CONECT   19    3   18   54   55                                       
CONECT   20   13   21   22   56                                       
CONECT   21   20   57                                                 
CONECT   22   20   23   58   59                                       
CONECT   23   22   24   25   60                                       
CONECT   24   23   61   62   63                                       
CONECT   25   23   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   64                                            
CONECT   28   27   29   65   66                                       
CONECT   29   28   30   67   68                                       
CONECT   30   29   31   69   70                                       
CONECT   31   30   71   72   73                                       
CONECT   32   11   11                                                 
CONECT   33   10   74   75   76                                       
CONECT   34    8    8                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
