COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.276  -2.575  -0.909  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.032  -0.446  -0.579  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.083  -0.096   0.894  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.807  -0.068  -0.175  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.075  -1.232   0.123  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.917   0.229   0.262  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.254   1.428   0.596  1.00  0.00           C  
HETATM    8  N   UNL     1      -9.164  -0.430  -1.711  1.00  0.00           N  
HETATM    9  C   UNL     1      -9.482  -1.627  -0.921  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.382   0.324  -2.038  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.087  -1.800  -0.539  1.00  0.00           N  
HETATM   12  N   UNL     1      -5.851  -2.271  -0.099  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.752  -1.278   0.577  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.749   2.232   1.510  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.943   1.920   2.171  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.602   0.780   1.881  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.643   0.509   2.458  1.00  0.00           O  
HETATM   18  C   UNL     1       0.013   1.783  -0.089  1.00  0.00           C  
HETATM   19  C   UNL     1       0.073   2.910  -0.906  1.00  0.00           C  
HETATM   20  C   UNL     1       1.253   3.240  -1.544  1.00  0.00           C  
HETATM   21  C   UNL     1       2.377   2.455  -1.374  1.00  0.00           C  
HETATM   22  C   UNL     1       2.327   1.329  -0.561  1.00  0.00           C  
HETATM   23  C   UNL     1       1.147   0.995   0.088  1.00  0.00           C  
HETATM   24  C   UNL     1       1.090  -0.225   0.970  1.00  0.00           C  
HETATM   25  C   UNL     1       1.352   0.182   2.422  1.00  0.00           C  
HETATM   26  O   UNL     1       1.297  -0.975   3.259  1.00  0.00           O  
HETATM   27  N   UNL     1       3.468   0.540  -0.387  1.00  0.00           N  
HETATM   28  C   UNL     1       4.691   1.071  -0.584  1.00  0.00           C  
HETATM   29  O   UNL     1       4.807   2.259  -0.818  1.00  0.00           O  
HETATM   30  C   UNL     1       5.884   0.215  -0.517  1.00  0.00           C  
HETATM   31  C   UNL     1       7.138   0.643  -0.697  1.00  0.00           C  
HETATM   32  C   UNL     1       8.135  -0.340  -0.590  1.00  0.00           C  
HETATM   33  C   UNL     1       9.536  -0.202  -0.726  1.00  0.00           C  
HETATM   34  C   UNL     1      10.353  -1.280  -0.586  1.00  0.00           C  
HETATM   35  C   UNL     1       9.828  -2.535  -0.306  1.00  0.00           C  
HETATM   36  C   UNL     1       8.471  -2.702  -0.167  1.00  0.00           C  
HETATM   37  C   UNL     1       7.611  -1.609  -0.307  1.00  0.00           C  
HETATM   38  S   UNL     1       5.858  -1.507  -0.181  1.00  0.00           S  
HETATM   39  C   UNL     1      -8.186   0.424  -1.013  1.00  0.00           C  
HETATM   40  H   UNL     1      -8.439  -3.368  -0.180  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.140  -3.009  -1.900  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.448   0.947  -0.094  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.505  -0.428  -0.489  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.339  -2.136  -1.362  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.723  -1.334   0.101  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.875   0.634  -1.117  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.118   1.205  -2.623  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.056  -0.307  -2.616  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.300  -2.131   0.671  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.295   2.524   2.842  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.804   3.526  -1.042  1.00  0.00           H  
HETATM   52  H   UNL     1       1.297   4.113  -2.177  1.00  0.00           H  
HETATM   53  H   UNL     1       3.297   2.717  -1.875  1.00  0.00           H  
HETATM   54  H   UNL     1       0.103  -0.683   0.894  1.00  0.00           H  
HETATM   55  H   UNL     1       1.847  -0.941   0.651  1.00  0.00           H  
HETATM   56  H   UNL     1       2.338   0.640   2.498  1.00  0.00           H  
HETATM   57  H   UNL     1       0.594   0.898   2.741  1.00  0.00           H  
HETATM   58  H   UNL     1       1.454  -0.791   4.195  1.00  0.00           H  
HETATM   59  H   UNL     1       3.380  -0.390  -0.124  1.00  0.00           H  
HETATM   60  H   UNL     1       7.369   1.676  -0.912  1.00  0.00           H  
HETATM   61  H   UNL     1       9.961   0.767  -0.944  1.00  0.00           H  
HETATM   62  H   UNL     1      11.421  -1.159  -0.693  1.00  0.00           H  
HETATM   63  H   UNL     1      10.489  -3.383  -0.197  1.00  0.00           H  
HETATM   64  H   UNL     1       8.068  -3.680   0.050  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.652   0.879  -0.140  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.828   1.201  -1.688  1.00  0.00           H  
CONECT    1   11    9   40   41                                       
CONECT    2    4    4   11   39                                       
CONECT    3   16    6    6   13                                       
CONECT    4    5    2    2   42                                       
CONECT    5   13   12   12    4                                       
CONECT    6    7    3    3   43                                       
CONECT    7   14   14   18    6                                       
CONECT    8    9   39   10                                            
CONECT    9    1    8   44   45                                       
CONECT   10    8   46   47   48                                       
CONECT   11   12    1    2                                            
CONECT   12    5    5   11                                            
CONECT   13    3    5   49                                            
CONECT   14   15    7    7                                            
CONECT   15   14   16   50                                            
CONECT   16   15   17   17    3                                       
CONECT   17   16   16                                                 
CONECT   18   23    7   19   19                                       
CONECT   19   18   18   20   51                                       
CONECT   20   21   21   19   52                                       
CONECT   21   22   20   20   53                                       
CONECT   22   27   23   23   21                                       
CONECT   23   24   22   22   18                                       
CONECT   24   25   23   54   55                                       
CONECT   25   26   24   56   57                                       
CONECT   26   25   58                                                 
CONECT   27   28   22   59                                            
CONECT   28   30   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   38   31   31   28                                       
CONECT   31   32   30   30   60                                       
CONECT   32   33   33   37   31                                       
CONECT   33   34   32   32   61                                       
CONECT   34   35   35   33   62                                       
CONECT   35   34   34   36   63                                       
CONECT   36   35   37   37   64                                       
CONECT   37   36   36   32   38                                       
CONECT   38   37   30                                                 
CONECT   39    2    8   65   66                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
