COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.627  -3.334   0.182  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.070  -2.418   1.275  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.179  -4.737   0.135  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.421  -2.876  -0.644  1.00  0.00           O  
HETATM    5  N   UNL     1      -0.918  -1.110   0.684  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.013  -2.389   2.481  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.517  -1.445   3.583  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.480  -1.368   4.765  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.961  -0.505   5.800  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.537  -0.239   7.025  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.732  -0.854   7.300  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.964   0.566   7.881  1.00  0.00           N  
HETATM   13  C   UNL     1       0.084  -0.220   1.047  1.00  0.00           C  
HETATM   14  O   UNL     1       0.944  -0.432   1.898  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.006   1.062   0.259  1.00  0.00           C  
HETATM   16  N   UNL     1       1.332   1.635   0.099  1.00  0.00           N  
HETATM   17  C   UNL     1       2.151   1.312  -0.995  1.00  0.00           C  
HETATM   18  N   UNL     1       3.362   1.754  -1.153  1.00  0.00           N  
HETATM   19  C   UNL     1       3.841   2.594  -0.188  1.00  0.00           C  
HETATM   20  C   UNL     1       3.167   3.008   0.889  1.00  0.00           C  
HETATM   21  C   UNL     1       1.777   2.521   1.090  1.00  0.00           C  
HETATM   22  N   UNL     1       3.699   3.856   1.813  1.00  0.00           N  
HETATM   23  C   UNL     1       1.615   0.419  -2.040  1.00  0.00           C  
HETATM   24  C   UNL     1       0.938   0.960  -3.127  1.00  0.00           C  
HETATM   25  C   UNL     1       0.430   0.115  -4.114  1.00  0.00           C  
HETATM   26  C   UNL     1       0.603  -1.265  -4.008  1.00  0.00           C  
HETATM   27  C   UNL     1       1.283  -1.800  -2.914  1.00  0.00           C  
HETATM   28  C   UNL     1       1.791  -0.956  -1.927  1.00  0.00           C  
HETATM   29  C   UNL     1       1.465  -3.276  -2.800  1.00  0.00           C  
HETATM   30  O   UNL     1       1.122   2.899   2.059  1.00  0.00           O  
HETATM   31  N   UNL     1      -0.335  -5.197   0.993  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.126  -6.526   0.681  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.827  -7.008  -0.404  1.00  0.00           C  
HETATM   34  S   UNL     1      -1.792  -5.755  -1.068  1.00  0.00           S  
HETATM   35  C   UNL     1       5.039   4.353   1.666  1.00  0.00           C  
HETATM   36  C   UNL     1       5.443   5.231   2.815  1.00  0.00           C  
HETATM   37  C   UNL     1       5.186   6.599   2.713  1.00  0.00           C  
HETATM   38  C   UNL     1       5.543   7.449   3.752  1.00  0.00           C  
HETATM   39  C   UNL     1       6.155   6.927   4.888  1.00  0.00           C  
HETATM   40  C   UNL     1       6.412   5.549   4.987  1.00  0.00           C  
HETATM   41  C   UNL     1       7.027   4.996   6.119  1.00  0.00           C  
HETATM   42  C   UNL     1       7.268   3.632   6.186  1.00  0.00           C  
HETATM   43  C   UNL     1       6.880   2.862   5.108  1.00  0.00           C  
HETATM   44  N   UNL     1       6.285   3.355   3.999  1.00  0.00           N  
HETATM   45  C   UNL     1       6.053   4.680   3.936  1.00  0.00           C  
HETATM   46  H   UNL     1      -0.059  -2.728   1.556  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.578  -0.827  -0.036  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.127  -3.401   2.892  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.012  -2.074   2.155  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.359  -0.443   3.166  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.547  -1.796   3.953  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.460  -1.002   4.440  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.625  -2.368   5.185  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.075  -0.051   5.592  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.182  -1.481   6.643  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.208  -0.701   8.182  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.089   0.910   7.472  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.431   0.859  -0.728  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.642   1.779   0.787  1.00  0.00           H  
HETATM   60  H   UNL     1       4.859   2.936  -0.355  1.00  0.00           H  
HETATM   61  H   UNL     1       3.119   4.106   2.579  1.00  0.00           H  
HETATM   62  H   UNL     1       0.797   2.034  -3.220  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.100   0.532  -4.966  1.00  0.00           H  
HETATM   64  H   UNL     1       0.202  -1.916  -4.781  1.00  0.00           H  
HETATM   65  H   UNL     1       2.320  -1.375  -1.075  1.00  0.00           H  
HETATM   66  H   UNL     1       1.059  -3.639  -1.848  1.00  0.00           H  
HETATM   67  H   UNL     1       0.959  -3.805  -3.618  1.00  0.00           H  
HETATM   68  H   UNL     1       2.527  -3.552  -2.853  1.00  0.00           H  
HETATM   69  H   UNL     1       0.557  -7.108   1.285  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.820  -8.004  -0.824  1.00  0.00           H  
HETATM   71  H   UNL     1       5.092   4.906   0.721  1.00  0.00           H  
HETATM   72  H   UNL     1       5.708   3.491   1.576  1.00  0.00           H  
HETATM   73  H   UNL     1       4.708   7.008   1.827  1.00  0.00           H  
HETATM   74  H   UNL     1       5.346   8.514   3.679  1.00  0.00           H  
HETATM   75  H   UNL     1       6.431   7.601   5.695  1.00  0.00           H  
HETATM   76  H   UNL     1       7.323   5.627   6.954  1.00  0.00           H  
HETATM   77  H   UNL     1       7.742   3.188   7.054  1.00  0.00           H  
HETATM   78  H   UNL     1       7.042   1.789   5.106  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    6   46                                       
CONECT    3    1   31   31   34                                       
CONECT    4    1    1                                                 
CONECT    5    2   13   47                                            
CONECT    6    2    7   48   49                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9    8   10   54                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   55   56                                            
CONECT   12   10   10   57                                            
CONECT   13    5   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   58   59                                       
CONECT   16   15   17   21                                            
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   60                                       
CONECT   20   19   19   21   22                                       
CONECT   21   16   20   30   30                                       
CONECT   22   20   35   61                                            
CONECT   23   17   24   24   28                                       
CONECT   24   23   23   25   62                                       
CONECT   25   24   26   26   63                                       
CONECT   26   25   25   27   64                                       
CONECT   27   26   28   28   29                                       
CONECT   28   23   27   27   65                                       
CONECT   29   27   66   67   68                                       
CONECT   30   21   21                                                 
CONECT   31    3    3   32                                            
CONECT   32   31   33   33   69                                       
CONECT   33   32   32   34   70                                       
CONECT   34    3   33                                                 
CONECT   35   22   36   71   72                                       
CONECT   36   35   37   37   45                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   39   39   74                                       
CONECT   39   38   38   40   75                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   76                                       
CONECT   42   41   43   43   77                                       
CONECT   43   42   42   44   78                                       
CONECT   44   43   45   45                                            
CONECT   45   36   40   44   44                                       
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
