COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.300   1.896   2.335  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.750   1.417   2.221  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.177   0.263   0.660  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.911  -1.209  -4.300  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.790  -1.225  -2.443  1.00  0.00           C  
HETATM    6  C   UNL     1       0.945  -2.807  -0.341  1.00  0.00           C  
HETATM    7  C   UNL     1       3.292  -3.069   0.056  1.00  0.00           C  
HETATM    8  C   UNL     1       4.814   0.924   0.517  1.00  0.00           C  
HETATM    9  O   UNL     1       4.350  -0.804   2.916  1.00  0.00           O  
HETATM   10  S   UNL     1       4.750  -1.489   1.737  1.00  0.00           S  
HETATM   11  C   UNL     1       3.268  -1.999   0.931  1.00  0.00           C  
HETATM   12  C   UNL     1       2.083  -1.336   1.182  1.00  0.00           C  
HETATM   13  C   UNL     1       0.917  -1.735   0.542  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.283  -1.059   0.785  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.220  -0.923  -0.228  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.396  -0.377   0.057  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.326  -0.226  -0.879  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.524   0.333  -0.580  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.728   0.742   0.774  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.127   1.345   0.919  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.699   2.499   2.480  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.576   0.866   0.805  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.044  -0.652  -2.177  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.731  -0.662  -3.375  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.774  -1.538  -3.752  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.911  -1.341  -1.443  1.00  0.00           N  
HETATM   27  C   UNL     1       2.131  -3.472  -0.580  1.00  0.00           C  
HETATM   28  N   UNL     1       5.473  -0.361   0.764  1.00  0.00           N  
HETATM   29  C   UNL     1       5.822   1.908  -0.081  1.00  0.00           C  
HETATM   30  C   UNL     1       5.134   3.249  -0.339  1.00  0.00           C  
HETATM   31  N   UNL     1       6.102   4.194  -0.914  1.00  0.00           N  
HETATM   32  C   UNL     1       6.533   3.759  -2.249  1.00  0.00           C  
HETATM   33  C   UNL     1       5.549   5.554  -0.956  1.00  0.00           C  
HETATM   34  O   UNL     1       5.610  -2.620   1.749  1.00  0.00           O  
HETATM   35  H   UNL     1      -6.176   1.089   3.057  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.552   2.667   2.519  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.625   0.610   2.943  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.747   1.846   2.325  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.054  -0.130  -0.349  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.053  -0.544   1.382  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.162  -1.355  -5.340  1.00  0.00           H  
HETATM   42  H   UNL     1       0.039  -3.123  -0.837  1.00  0.00           H  
HETATM   43  H   UNL     1       4.218  -3.591  -0.133  1.00  0.00           H  
HETATM   44  H   UNL     1       3.989   0.781  -0.181  1.00  0.00           H  
HETATM   45  H   UNL     1       4.431   1.323   1.456  1.00  0.00           H  
HETATM   46  H   UNL     1       2.063  -0.506   1.872  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.459  -0.686   1.663  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.634  -0.121   1.433  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.981   1.489   1.044  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.251   2.152   0.197  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.823   2.892   3.489  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.824   3.306   1.758  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.325   0.095   0.621  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.701   1.673   0.083  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.632  -0.337  -3.525  1.00  0.00           H  
HETATM   56  H   UNL     1       2.153  -4.309  -1.263  1.00  0.00           H  
HETATM   57  H   UNL     1       6.334  -0.551   0.358  1.00  0.00           H  
HETATM   58  H   UNL     1       6.648   2.051   0.616  1.00  0.00           H  
HETATM   59  H   UNL     1       6.206   1.509  -1.020  1.00  0.00           H  
HETATM   60  H   UNL     1       4.309   3.106  -1.037  1.00  0.00           H  
HETATM   61  H   UNL     1       4.751   3.648   0.600  1.00  0.00           H  
HETATM   62  H   UNL     1       5.667   3.701  -2.909  1.00  0.00           H  
HETATM   63  H   UNL     1       7.249   4.476  -2.651  1.00  0.00           H  
HETATM   64  H   UNL     1       7.002   2.778  -2.178  1.00  0.00           H  
HETATM   65  H   UNL     1       5.302   5.877   0.056  1.00  0.00           H  
HETATM   66  H   UNL     1       6.286   6.233  -1.385  1.00  0.00           H  
HETATM   67  H   UNL     1       4.648   5.561  -1.569  1.00  0.00           H  
CONECT    1   21   20   35   36                                       
CONECT    2   21   22   37   38                                       
CONECT    3   20   22   39   40                                       
CONECT    4   25   25   24   41                                       
CONECT    5   25   26   26   23                                       
CONECT    6   13   27   27   42                                       
CONECT    7   11   11   27   43                                       
CONECT    8   28   29   44   45                                       
CONECT    9   10   10                                                 
CONECT   10   34   34   11    9                                       
CONECT   10    9   28                                                 
CONECT   11   12   10    7    7                                       
CONECT   12   13   13   11   46                                       
CONECT   13   14   12   12    6                                       
CONECT   14   15   13   47                                            
CONECT   15   26   14   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17   23   23   16   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   48   49                                       
CONECT   20   19    1    3   50                                       
CONECT   21    1    2   51   52                                       
CONECT   22    3    2   53   54                                       
CONECT   23    5   24   17   17                                       
CONECT   24    4   23   55                                            
CONECT   25    4    4    5                                            
CONECT   26    5    5   15                                            
CONECT   27    6    6    7   56                                       
CONECT   28   10    8   57                                            
CONECT   29    8   30   58   59                                       
CONECT   30   29   31   60   61                                       
CONECT   31   30   32   33                                            
CONECT   32   31   62   63   64                                       
CONECT   33   31   65   66   67                                       
CONECT   34   10   10                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
