COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.691   0.193   1.018  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.087   0.506  -0.129  1.00  0.00           N  
HETATM    3  O   UNL     1      -4.712   0.257   0.007  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.905  -0.906  -0.738  1.00  0.00           S  
HETATM    5  C   UNL     1      -4.402   0.123   2.383  1.00  0.00           C  
HETATM    6  N   UNL     1      -8.449  -0.570  -1.452  1.00  0.00           N  
HETATM    7  O   UNL     1      -4.018   1.226   3.205  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.908   0.207   2.032  1.00  0.00           C  
HETATM    9  N   UNL     1     -11.323   0.364  -2.016  1.00  0.00           N  
HETATM   10  O   UNL     1      -6.601   1.045   2.958  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.876   0.850   0.621  1.00  0.00           C  
HETATM   12  N   UNL     1     -10.772   2.129  -0.552  1.00  0.00           N  
HETATM   13  O   UNL     1       5.827  -2.519   1.411  1.00  0.00           O  
HETATM   14  C   UNL     1      -7.250  -0.573  -0.947  1.00  0.00           C  
HETATM   15  N   UNL     1      -8.701   2.315   0.458  1.00  0.00           N  
HETATM   16  O   UNL     1       5.623   2.747  -1.691  1.00  0.00           O  
HETATM   17  C   UNL     1      -9.131   0.506  -0.990  1.00  0.00           C  
HETATM   18  N   UNL     1       1.575  -3.809  -1.038  1.00  0.00           N  
HETATM   19  C   UNL     1     -10.427   1.013  -1.185  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.925   2.751   0.248  1.00  0.00           C  
HETATM   21  N   UNL     1       9.297   2.415  -0.235  1.00  0.00           N  
HETATM   22  C   UNL     1      -8.266   1.208  -0.134  1.00  0.00           C  
HETATM   23  N   UNL     1       9.788   4.540  -1.010  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.834  -1.058   0.812  1.00  0.00           C  
HETATM   25  N   UNL     1       7.648   3.638  -1.368  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.966  -2.456  -0.804  1.00  0.00           C  
HETATM   27  N   UNL     1       6.299   0.447  -0.353  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.211  -2.541  -2.134  1.00  0.00           C  
HETATM   29  N   UNL     1       8.870   0.237   0.576  1.00  0.00           N  
HETATM   30  C   UNL     1       0.627  -3.822  -2.159  1.00  0.00           C  
HETATM   31  C   UNL     1       0.873  -3.776   0.251  1.00  0.00           C  
HETATM   32  C   UNL     1       0.042  -2.494   0.348  1.00  0.00           C  
HETATM   33  C   UNL     1       2.514  -2.686  -1.155  1.00  0.00           C  
HETATM   34  C   UNL     1       5.638  -1.653   0.577  1.00  0.00           C  
HETATM   35  C   UNL     1       8.905   3.508  -0.863  1.00  0.00           C  
HETATM   36  C   UNL     1       6.747   2.641  -1.232  1.00  0.00           C  
HETATM   37  C   UNL     1       6.574  -0.533   0.461  1.00  0.00           C  
HETATM   38  C   UNL     1       7.837  -0.537   1.283  1.00  0.00           C  
HETATM   39  C   UNL     1       8.318  -1.976   1.477  1.00  0.00           C  
HETATM   40  C   UNL     1       7.562   0.102   2.647  1.00  0.00           C  
HETATM   41  C   UNL     1       8.470   1.391  -0.062  1.00  0.00           C  
HETATM   42  C   UNL     1       7.143   1.469  -0.539  1.00  0.00           C  
HETATM   43  C   UNL     1       3.631  -2.845  -0.121  1.00  0.00           C  
HETATM   44  N   UNL     1       4.568  -1.724  -0.238  1.00  0.00           N  
HETATM   45  H   UNL     1      -3.066   1.085   0.971  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.178  -0.820   2.882  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.436   1.232   4.077  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.356  -0.786   1.997  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.215   0.724  -2.142  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.059  -0.450  -2.473  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.571   0.730   3.872  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.764   1.932   0.692  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.495  -1.319  -1.145  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.246   3.656   0.743  1.00  0.00           H  
HETATM   55  H   UNL     1      10.688   4.463  -0.656  1.00  0.00           H  
HETATM   56  H   UNL     1       9.516   5.350  -1.469  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.138  -1.161   1.644  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.478  -1.936   0.765  1.00  0.00           H  
HETATM   59  H   UNL     1       7.398   4.453  -1.830  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.650  -3.300  -0.719  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.926  -2.558  -2.957  1.00  0.00           H  
HETATM   62  H   UNL     1       0.443  -1.676  -2.237  1.00  0.00           H  
HETATM   63  H   UNL     1       9.795  -0.053   0.559  1.00  0.00           H  
HETATM   64  H   UNL     1       1.176  -3.878  -3.099  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.030  -4.687  -2.070  1.00  0.00           H  
HETATM   66  H   UNL     1       0.215  -4.641   0.329  1.00  0.00           H  
HETATM   67  H   UNL     1       1.600  -3.799   1.062  1.00  0.00           H  
HETATM   68  H   UNL     1       0.700  -1.628   0.284  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.492  -2.477   1.298  1.00  0.00           H  
HETATM   70  H   UNL     1       2.945  -2.675  -2.156  1.00  0.00           H  
HETATM   71  H   UNL     1       1.985  -1.750  -0.977  1.00  0.00           H  
HETATM   72  H   UNL     1       9.319  -1.970   1.910  1.00  0.00           H  
HETATM   73  H   UNL     1       7.636  -2.500   2.146  1.00  0.00           H  
HETATM   74  H   UNL     1       8.343  -2.484   0.513  1.00  0.00           H  
HETATM   75  H   UNL     1       7.215   1.125   2.505  1.00  0.00           H  
HETATM   76  H   UNL     1       6.798  -0.472   3.169  1.00  0.00           H  
HETATM   77  H   UNL     1       8.479   0.107   3.237  1.00  0.00           H  
HETATM   78  H   UNL     1       3.200  -2.855   0.880  1.00  0.00           H  
HETATM   79  H   UNL     1       4.160  -3.781  -0.299  1.00  0.00           H  
HETATM   80  H   UNL     1       4.417  -1.033  -0.902  1.00  0.00           H  
CONECT    1    3    5   24   45                                       
CONECT    2   11   14   22                                            
CONECT    3    1   11                                                 
CONECT    4   24   26                                                 
CONECT    5    1    7    8   46                                       
CONECT    6   14   14   17                                            
CONECT    7    5   47                                                 
CONECT    8    5   10   11   48                                       
CONECT    9   19   49   50                                            
CONECT   10    8   51                                                 
CONECT   11    2    3    8   52                                       
CONECT   12   19   19   20                                            
CONECT   13   34   34                                                 
CONECT   14    2    6    6   53                                       
CONECT   15   20   20   22                                            
CONECT   16   36   36                                                 
CONECT   17    6   19   22   22                                       
CONECT   18   30   31   33                                            
CONECT   19    9   12   12   17                                       
CONECT   20   12   15   15   54                                       
CONECT   21   35   35   41                                            
CONECT   22    2   15   17   17                                       
CONECT   23   35   55   56                                            
CONECT   24    1    4   57   58                                       
CONECT   25   35   36   59                                            
CONECT   26    4   28   32   60                                       
CONECT   27   37   37   42                                            
CONECT   28   26   30   61   62                                       
CONECT   29   38   41   63                                            
CONECT   30   18   28   64   65                                       
CONECT   31   18   32   66   67                                       
CONECT   32   26   31   68   69                                       
CONECT   33   18   43   70   71                                       
CONECT   34   13   13   37   44                                       
CONECT   35   21   21   23   25                                       
CONECT   36   16   16   25   42                                       
CONECT   37   27   27   34   38                                       
CONECT   38   29   37   39   40                                       
CONECT   39   38   72   73   74                                       
CONECT   40   38   75   76   77                                       
CONECT   41   21   29   42   42                                       
CONECT   42   27   36   41   41                                       
CONECT   43   33   44   78   79                                       
CONECT   44   34   43   80                                            
CONECT   45    1                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   14                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
