COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.942  -0.611   1.883  1.00  0.00           C  
HETATM    2  N   UNL     1       1.703  -0.726   0.626  1.00  0.00           N  
HETATM    3  C   UNL     1       2.997  -1.360   0.915  1.00  0.00           C  
HETATM    4  C   UNL     1       3.026  -1.677   2.425  1.00  0.00           C  
HETATM    5  C   UNL     1       1.520  -1.718   2.799  1.00  0.00           C  
HETATM    6  C   UNL     1       1.282  -0.317  -0.587  1.00  0.00           C  
HETATM    7  O   UNL     1       1.995  -0.462  -1.558  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.075   0.321  -0.739  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.102   1.648   0.021  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.415   2.344  -0.230  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.338   0.559  -2.123  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.438   3.400  -0.826  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.565   1.793   0.208  1.00  0.00           N  
HETATM   14  O   UNL     1       0.970   2.477  -0.430  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.841   2.470  -0.037  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.956   1.455  -0.034  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.983   1.557  -0.953  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.006   0.629  -0.953  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.002  -0.407  -0.029  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.969  -0.506   0.893  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.946   0.422   0.885  1.00  0.00           C  
HETATM   22  N   UNL     1      -8.039  -1.350  -0.025  1.00  0.00           N  
HETATM   23  C   UNL     1       4.120  -0.417   0.564  1.00  0.00           C  
HETATM   24  N   UNL     1      -9.135  -1.373  -0.898  1.00  0.00           N  
HETATM   25  C   UNL     1      -9.885  -2.399  -0.586  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.292  -3.063   0.494  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.156  -2.402   0.816  1.00  0.00           C  
HETATM   28  N   UNL     1       4.108   0.861   0.898  1.00  0.00           N  
HETATM   29  C   UNL     1       5.134   1.569   0.538  1.00  0.00           C  
HETATM   30  S   UNL     1       6.256   0.593  -0.303  1.00  0.00           S  
HETATM   31  C   UNL     1       5.207  -0.808  -0.102  1.00  0.00           C  
HETATM   32  N   UNL     1       5.296   2.921   0.799  1.00  0.00           N  
HETATM   33  C   UNL     1       6.501   3.616   0.341  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.089   3.503   1.064  1.00  0.00           C  
HETATM   35  S   UNL     1       5.535  -2.439  -0.682  1.00  0.00           S  
HETATM   36  O   UNL     1       6.953  -2.510  -0.742  1.00  0.00           O  
HETATM   37  O   UNL     1       4.795  -3.278   0.195  1.00  0.00           O  
HETATM   38  C   UNL     1       4.824  -2.477  -2.350  1.00  0.00           C  
HETATM   39  H   UNL     1       1.094   0.370   2.331  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.119  -0.784   1.701  1.00  0.00           H  
HETATM   41  H   UNL     1       3.095  -2.282   0.341  1.00  0.00           H  
HETATM   42  H   UNL     1       3.495  -2.644   2.607  1.00  0.00           H  
HETATM   43  H   UNL     1       3.539  -0.888   2.975  1.00  0.00           H  
HETATM   44  H   UNL     1       1.373  -1.472   3.851  1.00  0.00           H  
HETATM   45  H   UNL     1       1.085  -2.689   2.562  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.837  -0.346  -0.333  1.00  0.00           H  
HETATM   47  H   UNL     1       0.010   1.458   1.089  1.00  0.00           H  
HETATM   48  H   UNL     1       0.302   1.145  -2.550  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.547   0.948   0.684  1.00  0.00           H  
HETATM   50  H   UNL     1       0.935   2.688  -1.373  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.807   2.970  -1.004  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.986   2.363  -1.672  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.809   0.709  -1.671  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.963  -1.311   1.614  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.140   0.343   1.599  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.804  -2.684  -1.077  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.672  -3.948   0.982  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.467  -2.666   1.605  1.00  0.00           H  
HETATM   59  H   UNL     1       4.611   3.407   1.285  1.00  0.00           H  
HETATM   60  H   UNL     1       7.380   3.154   0.791  1.00  0.00           H  
HETATM   61  H   UNL     1       6.570   3.547  -0.744  1.00  0.00           H  
HETATM   62  H   UNL     1       6.451   4.664   0.636  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.122   3.003   2.032  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.283   4.237   1.061  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.039   4.007   0.882  1.00  0.00           H  
HETATM   66  H   UNL     1       5.307  -1.721  -2.969  1.00  0.00           H  
HETATM   67  H   UNL     1       4.983  -3.462  -2.790  1.00  0.00           H  
HETATM   68  H   UNL     1       3.755  -2.273  -2.295  1.00  0.00           H  
CONECT    1    5    2   39   40                                       
CONECT    2    1    3    6                                            
CONECT    3    2    4   23   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    1    4   44   45                                       
CONECT    6    2    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   11   46                                       
CONECT    9    8   14   10   47                                       
CONECT   10    9   12   12   13                                       
CONECT   11    8   48                                                 
CONECT   12   10   10                                                 
CONECT   13   10   15   49                                            
CONECT   14    9   50                                                 
CONECT   15   13   34   16   51                                       
CONECT   16   15   21   21   17                                       
CONECT   17   16   18   18   52                                       
CONECT   18   17   17   19   53                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   54                                       
CONECT   21   16   16   20   55                                       
CONECT   22   19   27   24                                            
CONECT   23    3   31   31   28                                       
CONECT   24   22   25   25                                            
CONECT   25   24   24   26   56                                       
CONECT   26   25   27   27   57                                       
CONECT   27   22   26   26   58                                       
CONECT   28   23   29   29                                            
CONECT   29   28   28   30   32                                       
CONECT   30   29   31                                                 
CONECT   31   23   23   30   35                                       
CONECT   32   29   33   59                                            
CONECT   33   32   60   61   62                                       
CONECT   34   15   63   64   65                                       
CONECT   35   31   36   36   38                                       
CONECT   35   37   37                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   35   66   67   68                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
