COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.850   2.484  -1.429  1.00  0.00           C  
HETATM    2  C   UNL     1       1.555   2.117  -0.751  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.775   2.459  -0.416  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.812   1.848   0.831  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.578  -0.172  -0.617  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.115   0.158   0.419  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.252  -0.451   0.812  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.750  -1.538   0.085  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.121  -1.719  -0.044  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.610  -2.793  -0.762  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.736  -3.687  -1.352  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.371  -3.510  -1.225  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.876  -2.435  -0.514  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.513   1.248   1.267  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.465   2.445   1.310  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.287   0.724   2.687  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.195   1.675   0.674  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.021   1.458   1.372  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.162   2.288  -0.565  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.956   2.680  -1.112  1.00  0.00           C  
HETATM   21  N   UNL     1       0.448   2.855  -0.966  1.00  0.00           N  
HETATM   22  O   UNL     1       1.509   1.156  -0.012  1.00  0.00           O  
HETATM   23  C   UNL     1       3.924   1.508  -1.023  1.00  0.00           C  
HETATM   24  C   UNL     1       4.130   0.360  -1.765  1.00  0.00           C  
HETATM   25  C   UNL     1       5.115  -0.536  -1.393  1.00  0.00           C  
HETATM   26  C   UNL     1       4.707   1.763   0.087  1.00  0.00           C  
HETATM   27  C   UNL     1       5.696   0.871   0.455  1.00  0.00           C  
HETATM   28  C   UNL     1       5.894  -0.284  -0.279  1.00  0.00           C  
HETATM   29  S   UNL     1       7.155  -1.421   0.190  1.00  0.00           S  
HETATM   30  O   UNL     1       7.494  -2.087  -1.019  1.00  0.00           O  
HETATM   31  O   UNL     1       8.108  -0.624   0.879  1.00  0.00           O  
HETATM   32  C   UNL     1       6.332  -2.562   1.336  1.00  0.00           C  
HETATM   33  C   UNL     1       7.335  -3.611   1.820  1.00  0.00           C  
HETATM   34  H   UNL     1       2.717   2.450  -2.510  1.00  0.00           H  
HETATM   35  H   UNL     1       3.143   3.491  -1.131  1.00  0.00           H  
HETATM   36  H   UNL     1       0.104   1.678   1.377  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.724  -0.136   1.598  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.804  -1.021   0.417  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.676  -2.934  -0.862  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.121  -4.526  -1.913  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.691  -4.211  -1.687  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.809  -2.294  -0.420  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.418   2.136   1.739  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.029   3.234   1.924  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.625   2.818   0.299  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.609  -0.129   2.656  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.852   1.513   3.300  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.240   0.415   3.115  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.051   0.983   2.342  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.081   2.460  -1.107  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.931   3.159  -2.080  1.00  0.00           H  
HETATM   52  H   UNL     1       0.500   3.661  -1.503  1.00  0.00           H  
HETATM   53  H   UNL     1       3.521   0.162  -2.635  1.00  0.00           H  
HETATM   54  H   UNL     1       5.275  -1.433  -1.972  1.00  0.00           H  
HETATM   55  H   UNL     1       4.546   2.660   0.666  1.00  0.00           H  
HETATM   56  H   UNL     1       6.305   1.068   1.325  1.00  0.00           H  
HETATM   57  H   UNL     1       5.948  -2.005   2.190  1.00  0.00           H  
HETATM   58  H   UNL     1       5.506  -3.057   0.825  1.00  0.00           H  
HETATM   59  H   UNL     1       7.719  -4.168   0.965  1.00  0.00           H  
HETATM   60  H   UNL     1       8.160  -3.115   2.331  1.00  0.00           H  
HETATM   61  H   UNL     1       6.840  -4.296   2.508  1.00  0.00           H  
CONECT    1   23    2   34   35                                       
CONECT    2   21    1   22   22                                       
CONECT    3   20   21    4    4                                       
CONECT    4    3    3   18   36                                       
CONECT    5    6    6                                                 
CONECT    6    7   14    5    5                                       
CONECT    7    8    6   37                                            
CONECT    8    9    7   13   13                                       
CONECT    9   10   10    8   38                                       
CONECT   10    9    9   11   39                                       
CONECT   11   10   12   12   40                                       
CONECT   12   11   11   13   41                                       
CONECT   13    8    8   12   42                                       
CONECT   14   16    6   17   15                                       
CONECT   15   14   43   44   45                                       
CONECT   16   14   46   47   48                                       
CONECT   17   19   14   18   18                                       
CONECT   18   17   17    4   49                                       
CONECT   19   20   20   17   50                                       
CONECT   20   19   19    3   51                                       
CONECT   21    3    2   52                                            
CONECT   22    2    2                                                 
CONECT   23   26   26   24    1                                       
CONECT   24   25   25   23   53                                       
CONECT   25   28   24   24   54                                       
CONECT   26   27   23   23   55                                       
CONECT   27   28   28   26   56                                       
CONECT   28   29   27   27   25                                       
CONECT   29   30   30   31   31                                       
CONECT   29   32   28                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   33   57   58                                       
CONECT   33   32   59   60   61                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
