COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.139  -1.259  -0.728  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.379  -0.754  -0.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.926  -0.640   1.591  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.606  -0.923   2.793  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.260   0.722   2.270  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.617   1.020   1.089  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.450   0.343   0.743  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.021  -0.223  -0.591  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.412   1.051  -1.343  1.00  0.00           C  
HETATM   10  C   UNL     1       3.776   0.114   0.762  1.00  0.00           C  
HETATM   11  C   UNL     1       2.164   0.420   2.646  1.00  0.00           C  
HETATM   12  C   UNL     1       4.560   1.068   2.934  1.00  0.00           C  
HETATM   13  C   UNL     1       6.176   0.439   0.495  1.00  0.00           C  
HETATM   14  C   UNL     1       8.593   0.695   0.323  1.00  0.00           C  
HETATM   15  C   UNL     1       8.851  -0.812   0.267  1.00  0.00           C  
HETATM   16  C   UNL     1       8.747   1.186   1.764  1.00  0.00           C  
HETATM   17  C   UNL     1       9.600   1.419  -0.573  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.419  -1.478  -2.112  1.00  0.00           O  
HETATM   19  N   UNL     1      -5.800  -1.184   1.091  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.746  -0.251   3.115  1.00  0.00           C  
HETATM   21  S   UNL     1      -6.394   0.468  -0.660  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.375   2.142  -1.070  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.924   3.526  -1.487  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.657   4.213  -2.044  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.780   3.120  -2.482  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.157   1.946  -1.946  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.601   0.885  -2.136  1.00  0.00           O  
HETATM   28  N   UNL     1      -1.782  -0.764  -1.157  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.686  -0.889  -0.383  1.00  0.00           C  
HETATM   30  C   UNL     1       0.616  -1.344  -0.989  1.00  0.00           C  
HETATM   31  N   UNL     1       1.747  -1.016  -0.090  1.00  0.00           N  
HETATM   32  C   UNL     1       2.610   0.014  -0.188  1.00  0.00           C  
HETATM   33  C   UNL     1       3.393   1.004   1.946  1.00  0.00           C  
HETATM   34  C   UNL     1       3.073   2.413   1.443  1.00  0.00           C  
HETATM   35  N   UNL     1       4.925   0.697   0.065  1.00  0.00           N  
HETATM   36  N   UNL     1       7.233   0.975  -0.146  1.00  0.00           N  
HETATM   37  O   UNL     1       6.350  -0.277   1.463  1.00  0.00           O  
HETATM   38  O   UNL     1       2.449   0.861  -1.042  1.00  0.00           O  
HETATM   39  C   UNL     1       1.713  -2.078   0.943  1.00  0.00           C  
HETATM   40  C   UNL     1       1.370  -3.367   0.166  1.00  0.00           C  
HETATM   41  C   UNL     1       2.040  -4.996  -1.767  1.00  0.00           C  
HETATM   42  C   UNL     1       3.215  -2.699  -1.563  1.00  0.00           C  
HETATM   43  C   UNL     1       0.647  -2.883  -1.108  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.748  -0.637   0.802  1.00  0.00           O  
HETATM   45  C   UNL     1       2.009  -3.572  -1.209  1.00  0.00           C  
HETATM   46  H   UNL     1      -3.823  -2.197  -0.269  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.220  -1.678   3.462  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.164   1.247   2.539  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.017   1.777   0.432  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.868   0.009   0.463  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.449   0.845  -2.412  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.391   1.387  -1.003  1.00  0.00           H  
HETATM   53  H   UNL     1       4.036  -0.881   1.123  1.00  0.00           H  
HETATM   54  H   UNL     1       2.392  -0.584   3.003  1.00  0.00           H  
HETATM   55  H   UNL     1       1.893   1.053   3.491  1.00  0.00           H  
HETATM   56  H   UNL     1       1.333   0.376   1.943  1.00  0.00           H  
HETATM   57  H   UNL     1       5.436   1.483   2.435  1.00  0.00           H  
HETATM   58  H   UNL     1       4.288   1.701   3.778  1.00  0.00           H  
HETATM   59  H   UNL     1       4.789   0.064   3.292  1.00  0.00           H  
HETATM   60  H   UNL     1       8.134  -1.327   0.905  1.00  0.00           H  
HETATM   61  H   UNL     1       8.742  -1.161  -0.760  1.00  0.00           H  
HETATM   62  H   UNL     1       9.863  -1.020   0.615  1.00  0.00           H  
HETATM   63  H   UNL     1       9.759   0.978   2.112  1.00  0.00           H  
HETATM   64  H   UNL     1       8.563   2.259   1.804  1.00  0.00           H  
HETATM   65  H   UNL     1       8.030   0.670   2.402  1.00  0.00           H  
HETATM   66  H   UNL     1       9.490   1.070  -1.600  1.00  0.00           H  
HETATM   67  H   UNL     1       9.416   2.493  -0.533  1.00  0.00           H  
HETATM   68  H   UNL     1      10.612   1.211  -0.225  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.706  -0.684  -2.585  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.257  -0.479   4.039  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.093   2.145  -0.017  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.686   3.427  -2.260  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.313   4.068  -0.625  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.914   4.851  -2.889  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.170   4.797  -1.263  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.026   3.230  -3.082  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.751  -1.031  -2.089  1.00  0.00           H  
HETATM   78  H   UNL     1       0.762  -0.882  -1.966  1.00  0.00           H  
HETATM   79  H   UNL     1       2.177   2.382   0.824  1.00  0.00           H  
HETATM   80  H   UNL     1       2.904   3.072   2.295  1.00  0.00           H  
HETATM   81  H   UNL     1       3.910   2.787   0.854  1.00  0.00           H  
HETATM   82  H   UNL     1       4.786   1.268  -0.707  1.00  0.00           H  
HETATM   83  H   UNL     1       7.094   1.546  -0.917  1.00  0.00           H  
HETATM   84  H   UNL     1       2.687  -2.172   1.424  1.00  0.00           H  
HETATM   85  H   UNL     1       0.942  -1.864   1.683  1.00  0.00           H  
HETATM   86  H   UNL     1       1.014  -4.223   0.739  1.00  0.00           H  
HETATM   87  H   UNL     1       1.443  -5.649  -1.130  1.00  0.00           H  
HETATM   88  H   UNL     1       1.629  -4.999  -2.777  1.00  0.00           H  
HETATM   89  H   UNL     1       3.069  -5.354  -1.792  1.00  0.00           H  
HETATM   90  H   UNL     1       4.110  -3.319  -1.611  1.00  0.00           H  
HETATM   91  H   UNL     1       3.049  -2.225  -2.531  1.00  0.00           H  
HETATM   92  H   UNL     1       3.345  -1.931  -0.800  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.249  -3.378  -1.484  1.00  0.00           H  
CONECT    1    2    8   18   46                                       
CONECT    2    1   19   19   21                                       
CONECT    3    4    4    7   19                                       
CONECT    4    3    3   20   47                                       
CONECT    5    6   20   20   48                                       
CONECT    6    5    7    7   49                                       
CONECT    7    3    6    6   21                                       
CONECT    8    1    9   28   50                                       
CONECT    9    8   22   51   52                                       
CONECT   10   32   33   35   53                                       
CONECT   11   33   54   55   56                                       
CONECT   12   33   57   58   59                                       
CONECT   13   35   36   37   37                                       
CONECT   14   15   16   17   36                                       
CONECT   15   14   60   61   62                                       
CONECT   16   14   63   64   65                                       
CONECT   17   14   66   67   68                                       
CONECT   18    1   69                                                 
CONECT   19    2    2    3                                            
CONECT   20    4    5    5   70                                       
CONECT   21    2    7                                                 
CONECT   22    9   23   26   71                                       
CONECT   23   22   24   72   73                                       
CONECT   24   23   25   74   75                                       
CONECT   25   24   26   76                                            
CONECT   26   22   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28    8   29   77                                            
CONECT   29   28   30   44   44                                       
CONECT   30   29   31   43   78                                       
CONECT   31   30   32   39                                            
CONECT   32   10   31   38   38                                       
CONECT   33   10   11   12   34                                       
CONECT   34   33   79   80   81                                       
CONECT   35   10   13   82                                            
CONECT   36   13   14   83                                            
CONECT   37   13   13                                                 
CONECT   38   32   32                                                 
CONECT   39   31   40   84   85                                       
CONECT   40   39   43   45   86                                       
CONECT   41   45   87   88   89                                       
CONECT   42   45   90   91   92                                       
CONECT   43   30   40   45   93                                       
CONECT   44   29   29                                                 
CONECT   45   40   41   42   43                                       
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
