COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.218   1.545  -0.877  1.00  0.00           N  
HETATM    2  N   UNL     1       5.137  -1.342  -0.186  1.00  0.00           N  
HETATM    3  C   UNL     1       1.376   0.358  -1.728  1.00  0.00           C  
HETATM    4  C   UNL     1       3.233  -0.514   3.262  1.00  0.00           C  
HETATM    5  C   UNL     1       4.114   0.246   2.304  1.00  0.00           C  
HETATM    6  C   UNL     1       6.633  -2.495  -1.714  1.00  0.00           C  
HETATM    7  C   UNL     1       6.321  -2.207  -0.268  1.00  0.00           C  
HETATM    8  C   UNL     1       4.230  -1.791   0.879  1.00  0.00           C  
HETATM    9  C   UNL     1       4.272   0.943  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       4.674   2.405   0.193  1.00  0.00           C  
HETATM   11  C   UNL     1       6.868   1.955  -0.914  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.977   0.208   0.998  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.141  -0.277   0.436  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.740   0.405  -0.616  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.001   2.054  -0.531  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.043  -0.168  -0.449  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.407  -0.703  -0.208  1.00  0.00           C  
HETATM   18  O   UNL     1       5.873  -2.131  -2.580  1.00  0.00           O  
HETATM   19  O   UNL     1       7.756  -3.155  -2.040  1.00  0.00           O  
HETATM   20  C   UNL     1       3.807  -3.213   0.613  1.00  0.00           C  
HETATM   21  O   UNL     1       2.896  -3.801   1.403  1.00  0.00           O  
HETATM   22  O   UNL     1       4.290  -3.823  -0.312  1.00  0.00           O  
HETATM   23  C   UNL     1       5.523   0.062   0.009  1.00  0.00           C  
HETATM   24  C   UNL     1       6.466   0.492  -1.117  1.00  0.00           C  
HETATM   25  C   UNL     1       5.617   2.835  -0.932  1.00  0.00           C  
HETATM   26  N   UNL     1       3.367   0.530   1.071  1.00  0.00           N  
HETATM   27  O   UNL     1       3.671  -0.794   4.499  1.00  0.00           O  
HETATM   28  O   UNL     1       2.131  -0.871   2.916  1.00  0.00           O  
HETATM   29  C   UNL     1       2.329   1.543   1.305  1.00  0.00           C  
HETATM   30  C   UNL     1       1.064   1.164   0.534  1.00  0.00           C  
HETATM   31  C   UNL     1       0.076  -0.402  -1.776  1.00  0.00           C  
HETATM   32  O   UNL     1       0.008  -1.574  -2.427  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.905   0.043  -1.230  1.00  0.00           O  
HETATM   34  C   UNL     1       2.343   2.472  -1.052  1.00  0.00           C  
HETATM   35  C   UNL     1       2.070   3.743  -0.290  1.00  0.00           C  
HETATM   36  O   UNL     1       1.021   3.886   0.292  1.00  0.00           O  
HETATM   37  O   UNL     1       2.993   4.718  -0.257  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.137   1.900   1.132  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.408   1.373   0.515  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.165   1.574  -1.098  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.919  -0.085  -1.188  1.00  0.00           N  
HETATM   42  S   UNL     1      -5.998   0.205   1.222  1.00  0.00           S  
HETATM   43  N   UNL     1      -7.201  -0.546  -1.024  1.00  0.00           N  
HETATM   44  C   UNL     1      -8.156  -1.753   0.877  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.686  -2.959   0.272  1.00  0.00           O  
HETATM   46  C   UNL     1      -8.757   0.634   0.448  1.00  0.00           C  
HETATM   47  O   UNL     1      -9.058   1.597  -0.564  1.00  0.00           O  
HETATM   48  C   UNL     1      -9.569  -1.155  -1.095  1.00  0.00           C  
HETATM   49  O   UNL     1     -10.745  -1.309  -0.299  1.00  0.00           O  
HETATM   50  H   UNL     1       1.654   0.668  -2.735  1.00  0.00           H  
HETATM   51  H   UNL     1       2.156  -0.282  -1.317  1.00  0.00           H  
HETATM   52  H   UNL     1       4.425   1.184   2.764  1.00  0.00           H  
HETATM   53  H   UNL     1       4.993  -0.352   2.067  1.00  0.00           H  
HETATM   54  H   UNL     1       7.171  -1.705   0.194  1.00  0.00           H  
HETATM   55  H   UNL     1       6.124  -3.143   0.254  1.00  0.00           H  
HETATM   56  H   UNL     1       4.743  -1.738   1.839  1.00  0.00           H  
HETATM   57  H   UNL     1       3.350  -1.148   0.901  1.00  0.00           H  
HETATM   58  H   UNL     1       3.766   0.835  -0.969  1.00  0.00           H  
HETATM   59  H   UNL     1       3.783   3.032   0.180  1.00  0.00           H  
HETATM   60  H   UNL     1       5.181   2.513   1.152  1.00  0.00           H  
HETATM   61  H   UNL     1       7.374   2.062   0.045  1.00  0.00           H  
HETATM   62  H   UNL     1       7.540   2.261  -1.716  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.513  -0.319   1.819  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.585  -1.187   0.813  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.554   2.963  -0.906  1.00  0.00           H  
HETATM   66  H   UNL     1       7.913  -3.316  -2.980  1.00  0.00           H  
HETATM   67  H   UNL     1       2.657  -4.714   1.193  1.00  0.00           H  
HETATM   68  H   UNL     1       6.029   0.170   0.968  1.00  0.00           H  
HETATM   69  H   UNL     1       5.959   0.384  -2.076  1.00  0.00           H  
HETATM   70  H   UNL     1       7.357  -0.135  -1.104  1.00  0.00           H  
HETATM   71  H   UNL     1       5.111   2.727  -1.892  1.00  0.00           H  
HETATM   72  H   UNL     1       5.904   3.877  -0.788  1.00  0.00           H  
HETATM   73  H   UNL     1       3.070  -1.284   5.077  1.00  0.00           H  
HETATM   74  H   UNL     1       2.104   1.593   2.371  1.00  0.00           H  
HETATM   75  H   UNL     1       2.687   2.514   0.963  1.00  0.00           H  
HETATM   76  H   UNL     1       0.903   0.089   0.604  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.826  -2.061  -2.369  1.00  0.00           H  
HETATM   78  H   UNL     1       3.256   2.011  -0.674  1.00  0.00           H  
HETATM   79  H   UNL     1       2.464   2.702  -2.111  1.00  0.00           H  
HETATM   80  H   UNL     1       2.745   5.543   0.181  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.162   1.739   2.210  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.049   2.967   0.926  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.628   2.106  -1.916  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.927  -0.364  -2.117  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.237  -0.713  -1.979  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.406  -1.381   1.576  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.084  -1.952   1.412  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.505  -3.670   0.902  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.625   0.505   1.096  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.911   0.981   1.040  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.289   2.470  -0.220  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.748  -0.408  -1.868  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.319  -2.108  -1.563  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.523  -1.595  -0.798  1.00  0.00           H  
CONECT    1    3   30   34                                            
CONECT    2    7    8   23                                            
CONECT    3    1   31   50   51                                       
CONECT    4    5   27   28   28                                       
CONECT    5    4   26   52   53                                       
CONECT    6    7   18   18   19                                       
CONECT    7    2    6   54   55                                       
CONECT    8    2   20   56   57                                       
CONECT    9   10   23   26   58                                       
CONECT   10    9   25   59   60                                       
CONECT   11   24   25   61   62                                       
CONECT   12   13   13   39   63                                       
CONECT   13   12   12   14   64                                       
CONECT   14   13   40   40   41                                       
CONECT   15   39   39   40   65                                       
CONECT   16   41   42   42   43                                       
CONECT   17   43   44   46   48                                       
CONECT   18    6    6                                                 
CONECT   19    6   66                                                 
CONECT   20    8   21   22   22                                       
CONECT   21   20   67                                                 
CONECT   22   20   20                                                 
CONECT   23    2    9   24   68                                       
CONECT   24   11   23   69   70                                       
CONECT   25   10   11   71   72                                       
CONECT   26    5    9   29                                            
CONECT   27    4   73                                                 
CONECT   28    4    4                                                 
CONECT   29   26   30   74   75                                       
CONECT   30    1   29   38   76                                       
CONECT   31    3   32   33   33                                       
CONECT   32   31   77                                                 
CONECT   33   31   31                                                 
CONECT   34    1   35   78   79                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   80                                                 
CONECT   38   30   39   81   82                                       
CONECT   39   12   15   15   38                                       
CONECT   40   14   14   15   83                                       
CONECT   41   14   16   84                                            
CONECT   42   16   16                                                 
CONECT   43   16   17   85                                            
CONECT   44   17   45   86   87                                       
CONECT   45   44   88                                                 
CONECT   46   17   47   89   90                                       
CONECT   47   46   91                                                 
CONECT   48   17   49   92   93                                       
CONECT   49   48   94                                                 
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
