COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.804   1.824   1.241  1.00  0.00           O  
HETATM    2  S   UNL     1       7.185   0.496   0.908  1.00  0.00           S  
HETATM    3  O   UNL     1       8.520   0.191   0.528  1.00  0.00           O  
HETATM    4  C   UNL     1       6.601  -0.669   2.170  1.00  0.00           C  
HETATM    5  N   UNL     1       6.286   0.137  -0.435  1.00  0.00           N  
HETATM    6  C   UNL     1       4.902   0.342  -0.426  1.00  0.00           C  
HETATM    7  C   UNL     1       4.376   1.519   0.090  1.00  0.00           C  
HETATM    8  C   UNL     1       4.050  -0.631  -0.938  1.00  0.00           C  
HETATM    9  C   UNL     1       2.690  -0.423  -0.926  1.00  0.00           C  
HETATM   10  S   UNL     1       1.585  -1.640  -1.566  1.00  0.00           S  
HETATM   11  O   UNL     1       1.575  -1.477  -2.977  1.00  0.00           O  
HETATM   12  O   UNL     1       1.916  -2.864  -0.925  1.00  0.00           O  
HETATM   13  N   UNL     1       0.076  -1.216  -1.025  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.147  -0.039  -0.531  1.00  0.00           C  
HETATM   15  N   UNL     1       0.777   0.956  -0.406  1.00  0.00           N  
HETATM   16  C   UNL     1       2.158   0.753  -0.408  1.00  0.00           C  
HETATM   17  C   UNL     1       3.011   1.725   0.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.517   0.249  -0.065  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.336   1.261  -0.748  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.000   1.687  -1.836  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.461   1.714  -0.163  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.353   2.609  -0.903  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.614   3.887  -0.086  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.134   3.943   0.171  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.723   1.933  -1.115  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.594   2.469   0.050  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.800   1.321   1.205  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.451  -0.147   1.440  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.592  -0.470   2.929  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.038  -0.424   0.998  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.290  -1.327   1.656  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.410  -1.031   0.639  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.062  -2.503   0.873  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.021  -3.386   0.072  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.597  -4.850   0.206  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.443  -3.216   0.612  1.00  0.00           C  
HETATM   37  H   UNL     1       5.535  -0.515   2.340  1.00  0.00           H  
HETATM   38  H   UNL     1       6.770  -1.690   1.828  1.00  0.00           H  
HETATM   39  H   UNL     1       7.145  -0.502   3.099  1.00  0.00           H  
HETATM   40  H   UNL     1       6.719  -0.215  -1.228  1.00  0.00           H  
HETATM   41  H   UNL     1       5.037   2.276   0.484  1.00  0.00           H  
HETATM   42  H   UNL     1       4.455  -1.547  -1.343  1.00  0.00           H  
HETATM   43  H   UNL     1       0.454   1.865  -0.308  1.00  0.00           H  
HETATM   44  H   UNL     1       2.606   2.642   0.502  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.911   2.865  -1.865  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.077   3.841   0.861  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.298   4.763  -0.652  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.338   4.325   1.171  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.626   4.561  -0.580  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.149   2.225  -2.075  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.627   0.849  -1.055  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.387   1.923   0.971  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.653   2.414  -0.203  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.243   1.941   1.907  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.868   1.468   1.367  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.618  -0.284   3.245  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.343  -1.517   3.099  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.915   0.162   3.503  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.374  -1.433   1.366  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.433  -0.844   0.963  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.317  -0.800  -0.422  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.039  -2.690   0.549  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.155  -2.734   1.934  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.993  -3.095  -0.978  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.625  -5.142   1.256  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.280  -5.480  -0.364  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.584  -4.972  -0.178  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.745  -2.173   0.516  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.125  -3.845   0.041  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.470  -3.507   1.661  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    4                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    2   37   38   39                                       
CONECT    5    2    6   40                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   17   41                                       
CONECT    8    6    9    9   42                                       
CONECT    9    8    8   10   16                                       
CONECT   10    9   13   12   12                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   14                                            
CONECT   14   13   13   18   15                                       
CONECT   15   14   16   43                                            
CONECT   16    9   15   17   17                                       
CONECT   17    7   16   16   44                                       
CONECT   18   14   19   30   30                                       
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   27                                            
CONECT   22   21   25   23   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   26   48   49                                       
CONECT   25   22   26   50   51                                       
CONECT   26   24   25   52   53                                       
CONECT   27   21   28   54   55                                       
CONECT   28   27   32   29   30                                       
CONECT   29   28   56   57   58                                       
CONECT   30   18   18   28   31                                       
CONECT   31   30   59                                                 
CONECT   32   28   33   60   61                                       
CONECT   33   32   34   62   63                                       
CONECT   34   33   36   35   64                                       
CONECT   35   34   65   66   67                                       
CONECT   36   34   68   69   70                                       
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
