COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.915  -1.850  -1.929  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.136  -1.982  -1.016  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.125  -3.358  -0.347  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.090  -0.893   0.057  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.293  -1.023   0.956  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.078  -0.110   1.052  1.00  0.00           O  
HETATM    7  O   UNL     1      -8.492  -2.155   1.651  1.00  0.00           O  
HETATM    8  N   UNL     1      -7.101   0.424  -0.584  1.00  0.00           N  
HETATM    9  S   UNL     1      -6.245   1.676   0.082  1.00  0.00           S  
HETATM   10  O   UNL     1      -6.427   2.791  -0.781  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.577   1.699   1.463  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.538   1.249  -0.012  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.944   0.553   1.025  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.609   0.211   0.955  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.859   0.567  -0.165  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.463   1.268  -1.207  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.799   1.605  -1.125  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.423   0.202  -0.246  1.00  0.00           C  
HETATM   19  C   UNL     1       0.327   0.559  -1.365  1.00  0.00           C  
HETATM   20  C   UNL     1       1.662   0.217  -1.436  1.00  0.00           C  
HETATM   21  C   UNL     1       2.256  -0.479  -0.398  1.00  0.00           C  
HETATM   22  C   UNL     1       1.516  -0.836   0.715  1.00  0.00           C  
HETATM   23  C   UNL     1       0.182  -0.493   0.799  1.00  0.00           C  
HETATM   24  C   UNL     1       3.714  -0.850  -0.481  1.00  0.00           C  
HETATM   25  O   UNL     1       4.505   0.197   0.084  1.00  0.00           O  
HETATM   26  C   UNL     1       5.850   0.020   0.088  1.00  0.00           C  
HETATM   27  C   UNL     1       6.398  -1.140  -0.449  1.00  0.00           C  
HETATM   28  C   UNL     1       7.756  -1.324  -0.448  1.00  0.00           C  
HETATM   29  C   UNL     1       8.593  -0.342   0.096  1.00  0.00           C  
HETATM   30  C   UNL     1       8.037   0.825   0.635  1.00  0.00           C  
HETATM   31  C   UNL     1       6.677   1.001   0.624  1.00  0.00           C  
HETATM   32  C   UNL     1      10.049  -0.534   0.100  1.00  0.00           C  
HETATM   33  O   UNL     1      10.529  -1.545  -0.368  1.00  0.00           O  
HETATM   34  C   UNL     1      10.947   0.525   0.685  1.00  0.00           C  
HETATM   35  C   UNL     1      12.261  -0.114   1.140  1.00  0.00           C  
HETATM   36  C   UNL     1      11.238   1.590  -0.374  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.947  -2.626  -2.694  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.923  -0.870  -2.406  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.006  -1.959  -1.339  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.045  -1.873  -1.607  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.995  -3.453   0.303  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.157  -4.135  -1.112  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.216  -3.468   0.244  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.181  -1.002   0.648  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.277  -2.191   2.214  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.609   0.564  -1.399  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.526   0.277   1.892  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.146  -0.332   1.765  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.886   1.547  -2.076  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.268   2.145  -1.934  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.137   1.102  -2.176  1.00  0.00           H  
HETATM   52  H   UNL     1       2.244   0.493  -2.303  1.00  0.00           H  
HETATM   53  H   UNL     1       1.987  -1.375   1.524  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.394  -0.772   1.668  1.00  0.00           H  
HETATM   55  H   UNL     1       3.886  -1.774   0.071  1.00  0.00           H  
HETATM   56  H   UNL     1       3.994  -0.993  -1.525  1.00  0.00           H  
HETATM   57  H   UNL     1       5.751  -1.898  -0.867  1.00  0.00           H  
HETATM   58  H   UNL     1       8.181  -2.226  -0.865  1.00  0.00           H  
HETATM   59  H   UNL     1       8.678   1.586   1.056  1.00  0.00           H  
HETATM   60  H   UNL     1       6.247   1.902   1.037  1.00  0.00           H  
HETATM   61  H   UNL     1      10.454   0.988   1.540  1.00  0.00           H  
HETATM   62  H   UNL     1      12.754  -0.577   0.286  1.00  0.00           H  
HETATM   63  H   UNL     1      12.910   0.652   1.564  1.00  0.00           H  
HETATM   64  H   UNL     1      12.053  -0.873   1.895  1.00  0.00           H  
HETATM   65  H   UNL     1      10.302   2.045  -0.698  1.00  0.00           H  
HETATM   66  H   UNL     1      11.888   2.356   0.049  1.00  0.00           H  
HETATM   67  H   UNL     1      11.732   1.127  -1.229  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3    4    1   40                                       
CONECT    3    2   41   42   43                                       
CONECT    4    5    2    8   44                                       
CONECT    5    6    6    7    4                                       
CONECT    6    5    5                                                 
CONECT    7    5   45                                                 
CONECT    8    4    9   46                                            
CONECT    9    8   12   11   11                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13   13   17    9                                       
CONECT   13   14   12   12   47                                       
CONECT   14   15   15   13   48                                       
CONECT   15   18   14   14   16                                       
CONECT   16   15   17   17   49                                       
CONECT   17   16   16   12   50                                       
CONECT   18   23   15   19   19                                       
CONECT   19   18   18   20   51                                       
CONECT   20   21   21   19   52                                       
CONECT   21   22   24   20   20                                       
CONECT   22   23   23   21   53                                       
CONECT   23   22   22   18   54                                       
CONECT   24   21   25   55   56                                       
CONECT   25   24   26                                                 
CONECT   26   27   25   31   31                                       
CONECT   27   28   28   26   57                                       
CONECT   28   27   27   29   58                                       
CONECT   29   28   32   30   30                                       
CONECT   30   29   29   31   59                                       
CONECT   31   26   26   30   60                                       
CONECT   32   34   29   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   36   61                                       
CONECT   35   34   62   63   64                                       
CONECT   36   34   65   66   67                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
