COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.706  -4.247   0.120  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.733  -5.124   0.475  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.004  -3.589  -0.247  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.335  -5.782   0.692  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.350  -2.076  -0.810  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.986  -0.878  -1.345  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.644  -0.552  -1.527  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.658  -1.422  -1.176  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.995  -2.669  -0.620  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.362  -3.001  -0.435  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.012   2.951  -1.598  1.00  0.00           O  
HETATM   12  S   UNL     1      -3.165   2.738  -0.477  1.00  0.00           S  
HETATM   13  O   UNL     1      -2.455   3.814   0.120  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.020   1.760   0.789  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.995   2.638   1.530  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.744   2.125   2.518  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.102   3.805   1.234  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.980   1.732  -1.046  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.278   0.783  -2.122  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.375  -4.806   0.296  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.698  -6.996   1.234  1.00  0.00           N  
HETATM   22  N   UNL     1       0.925  -5.493   0.529  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.692   1.788  -0.500  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.510   2.225   0.805  1.00  0.00           C  
HETATM   25  C   UNL     1       0.760   2.280   1.344  1.00  0.00           C  
HETATM   26  C   UNL     1       1.854   1.899   0.581  1.00  0.00           C  
HETATM   27  C   UNL     1       1.673   1.462  -0.723  1.00  0.00           C  
HETATM   28  C   UNL     1       0.403   1.401  -1.261  1.00  0.00           C  
HETATM   29  O   UNL     1       3.105   1.953   1.112  1.00  0.00           O  
HETATM   30  C   UNL     1       4.192   1.608   0.250  1.00  0.00           C  
HETATM   31  C   UNL     1       4.369   0.088   0.238  1.00  0.00           C  
HETATM   32  C   UNL     1       5.511  -0.281  -0.714  1.00  0.00           C  
HETATM   33  N   UNL     1       6.715   0.464  -0.319  1.00  0.00           N  
HETATM   34  C   UNL     1       7.893  -0.192  -0.078  1.00  0.00           C  
HETATM   35  C   UNL     1       9.087   0.570   0.437  1.00  0.00           C  
HETATM   36  N   UNL     1       7.982  -1.464  -0.292  1.00  0.00           N  
HETATM   37  C   UNL     1       6.630   1.925  -0.188  1.00  0.00           C  
HETATM   38  C   UNL     1       5.475   2.269   0.757  1.00  0.00           C  
HETATM   39  H   UNL     1      -4.745  -4.507   0.260  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.005  -6.079   0.900  1.00  0.00           H  
HETATM   41  H   UNL     1       0.040  -3.350  -0.382  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.395  -2.315  -0.674  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.749  -0.170  -1.632  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.621  -1.157  -1.324  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.558   0.940   0.313  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.289   1.356   1.490  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.355   2.727   2.964  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.401   0.669  -2.760  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.113   1.158  -2.715  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.636  -7.211   1.356  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.016  -7.635   1.494  1.00  0.00           H  
HETATM   52  H   UNL     1       1.607  -6.132   0.789  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.362   2.522   1.399  1.00  0.00           H  
HETATM   54  H   UNL     1       0.902   2.620   2.359  1.00  0.00           H  
HETATM   55  H   UNL     1       2.526   1.166  -1.316  1.00  0.00           H  
HETATM   56  H   UNL     1       0.262   1.061  -2.276  1.00  0.00           H  
HETATM   57  H   UNL     1       3.978   1.957  -0.761  1.00  0.00           H  
HETATM   58  H   UNL     1       4.607  -0.259   1.243  1.00  0.00           H  
HETATM   59  H   UNL     1       3.446  -0.383  -0.101  1.00  0.00           H  
HETATM   60  H   UNL     1       5.707  -1.352  -0.652  1.00  0.00           H  
HETATM   61  H   UNL     1       5.236  -0.017  -1.735  1.00  0.00           H  
HETATM   62  H   UNL     1       9.076   0.571   1.527  1.00  0.00           H  
HETATM   63  H   UNL     1      10.002   0.094   0.083  1.00  0.00           H  
HETATM   64  H   UNL     1       9.048   1.597   0.073  1.00  0.00           H  
HETATM   65  H   UNL     1       7.246  -1.937  -0.711  1.00  0.00           H  
HETATM   66  H   UNL     1       7.564   2.310   0.221  1.00  0.00           H  
HETATM   67  H   UNL     1       6.446   2.369  -1.166  1.00  0.00           H  
HETATM   68  H   UNL     1       5.340   3.350   0.788  1.00  0.00           H  
HETATM   69  H   UNL     1       5.702   1.902   1.758  1.00  0.00           H  
CONECT    1    2    2   10   39                                       
CONECT    2    1    1   20   40                                       
CONECT    3   20   20    9   41                                       
CONECT    4   22   22   20   21                                       
CONECT    5   10   10    6   42                                       
CONECT    6    5    7    7   43                                       
CONECT    7    6    6    8   19                                       
CONECT    8    9    9    7   44                                       
CONECT    9   10    3    8    8                                       
CONECT   10    1    5    5    9                                       
CONECT   11   12   12                                                 
CONECT   12   13   13   11   11                                       
CONECT   12   18   14                                                 
CONECT   13   12   12                                                 
CONECT   14   12   15   45   46                                       
CONECT   15   17   17   16   14                                       
CONECT   16   15   47                                                 
CONECT   17   15   15                                                 
CONECT   18   19   12   23                                            
CONECT   19    7   18   48   49                                       
CONECT   20    2    4    3    3                                       
CONECT   21    4   50   51                                            
CONECT   22    4    4   52                                            
CONECT   23   28   18   24   24                                       
CONECT   24   23   23   25   53                                       
CONECT   25   26   26   24   54                                       
CONECT   26   27   29   25   25                                       
CONECT   27   28   28   26   55                                       
CONECT   28   27   27   23   56                                       
CONECT   29   26   30                                                 
CONECT   30   29   31   38   57                                       
CONECT   31   32   30   58   59                                       
CONECT   32   31   33   60   61                                       
CONECT   33   32   34   37                                            
CONECT   34   35   33   36   36                                       
CONECT   35   34   62   63   64                                       
CONECT   36   34   34   65                                            
CONECT   37   33   38   66   67                                       
CONECT   38   37   30   68   69                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
