COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.058   5.813   1.225  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.371   5.030   1.170  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.585   4.490  -0.245  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.960   3.825  -0.335  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.501   0.045   0.609  1.00  0.00           C  
HETATM    6  N   UNL     1       0.897  -0.150   0.034  1.00  0.00           N  
HETATM    7  C   UNL     1       2.031  -0.871  -0.549  1.00  0.00           C  
HETATM    8  C   UNL     1       0.874  -1.160  -2.723  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.232  -2.979  -3.817  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.262  -0.385  -2.862  1.00  0.00           C  
HETATM   11  C   UNL     1       3.329  -0.404   0.114  1.00  0.00           C  
HETATM   12  C   UNL     1       4.498  -1.243  -0.404  1.00  0.00           C  
HETATM   13  C   UNL     1       6.800  -1.714  -0.224  1.00  0.00           C  
HETATM   14  C   UNL     1       8.923  -0.405  -0.026  1.00  0.00           C  
HETATM   15  C   UNL     1      10.466  -0.792   1.773  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.020   2.713  -3.389  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.695   2.968  -1.916  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.243   3.434  -1.787  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.984   2.341   0.707  1.00  0.00           S  
HETATM   20  O   UNL     1      -4.225   1.672   0.530  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.554   2.688   2.016  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.677   1.384  -0.109  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.334  -0.697   0.009  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.503  -1.787  -0.496  1.00  0.00           O  
HETATM   25  C   UNL     1       2.097  -0.590  -2.052  1.00  0.00           C  
HETATM   26  C   UNL     1       0.891  -2.455  -3.205  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.369  -2.205  -3.955  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.384  -0.908  -3.478  1.00  0.00           C  
HETATM   29  O   UNL     1       3.555   0.972  -0.198  1.00  0.00           O  
HETATM   30  N   UNL     1       5.723  -0.877   0.319  1.00  0.00           N  
HETATM   31  C   UNL     1       8.093  -1.387   0.478  1.00  0.00           C  
HETATM   32  C   UNL     1      10.111  -0.101   0.624  1.00  0.00           C  
HETATM   33  O   UNL     1      10.927   0.868   0.132  1.00  0.00           O  
HETATM   34  C   UNL     1       9.635  -1.777   2.270  1.00  0.00           C  
HETATM   35  C   UNL     1       8.450  -2.075   1.624  1.00  0.00           C  
HETATM   36  C   UNL     1      12.055   0.940   1.006  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.718  -0.755   0.456  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.749  -0.581   1.307  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.669   0.238   2.200  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.869  -1.316   1.166  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.980  -1.130   2.083  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.100  -2.066   1.711  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.075  -1.658   0.820  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.101  -2.519   0.476  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.156  -3.784   1.030  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.185  -4.190   1.925  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.157  -3.331   2.266  1.00  0.00           C  
HETATM   48  H   UNL     1       0.094   6.198   2.233  1.00  0.00           H  
HETATM   49  H   UNL     1       0.769   5.155   0.958  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.102   6.645   0.521  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.328   4.198   1.874  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.198   5.688   1.437  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.531   5.311  -0.959  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.812   3.757  -0.475  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.724   4.523   0.009  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.313   0.222   1.668  1.00  0.00           H  
HETATM   57  H   UNL     1       1.033   0.722   0.438  1.00  0.00           H  
HETATM   58  H   UNL     1       1.905  -1.941  -0.385  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.221  -3.993  -4.190  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.274   0.628  -2.489  1.00  0.00           H  
HETATM   61  H   UNL     1       3.247  -0.522   1.195  1.00  0.00           H  
HETATM   62  H   UNL     1       4.285  -2.300  -0.246  1.00  0.00           H  
HETATM   63  H   UNL     1       4.635  -1.056  -1.470  1.00  0.00           H  
HETATM   64  H   UNL     1       6.558  -2.765  -0.068  1.00  0.00           H  
HETATM   65  H   UNL     1       6.908  -1.521  -1.292  1.00  0.00           H  
HETATM   66  H   UNL     1       8.644   0.131  -0.922  1.00  0.00           H  
HETATM   67  H   UNL     1      11.392  -0.559   2.279  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.355   1.943  -3.780  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.054   2.381  -3.481  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.883   3.634  -3.956  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.832   2.047  -1.349  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.360   3.738  -1.525  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.080   4.296  -2.434  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.574   2.626  -2.082  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.952   1.206  -1.149  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.741   1.942  -0.072  1.00  0.00           H  
HETATM   77  H   UNL     1       2.134   0.487  -2.218  1.00  0.00           H  
HETATM   78  H   UNL     1       2.990  -1.053  -2.470  1.00  0.00           H  
HETATM   79  H   UNL     1       1.779  -3.060  -3.097  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.246  -2.614  -4.436  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.272  -0.303  -3.586  1.00  0.00           H  
HETATM   82  H   UNL     1       3.620   1.033  -1.161  1.00  0.00           H  
HETATM   83  H   UNL     1       5.938   0.075   0.061  1.00  0.00           H  
HETATM   84  H   UNL     1       9.911  -2.315   3.165  1.00  0.00           H  
HETATM   85  H   UNL     1       7.801  -2.845   2.014  1.00  0.00           H  
HETATM   86  H   UNL     1      12.741   1.709   0.650  1.00  0.00           H  
HETATM   87  H   UNL     1      11.720   1.191   2.013  1.00  0.00           H  
HETATM   88  H   UNL     1      12.565  -0.023   1.022  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.783  -1.409  -0.257  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.651  -1.342   3.100  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.331  -0.100   2.022  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.031  -0.670   0.387  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.860  -2.202  -0.224  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.959  -4.455   0.763  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.228  -5.179   2.358  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.397  -3.648   2.965  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    3   51   52                                       
CONECT    3    2    4   53   54                                       
CONECT    4    3   18   19   55                                       
CONECT    5   22   23   37   56                                       
CONECT    6    7   23   57                                            
CONECT    7    6   11   25   58                                       
CONECT    8   10   10   25   26                                       
CONECT    9   26   26   27   59                                       
CONECT   10    8    8   28   60                                       
CONECT   11    7   12   29   61                                       
CONECT   12   11   30   62   63                                       
CONECT   13   30   31   64   65                                       
CONECT   14   31   32   32   66                                       
CONECT   15   32   34   34   67                                       
CONECT   16   17   68   69   70                                       
CONECT   17   16   18   71   72                                       
CONECT   18    4   17   73   74                                       
CONECT   19    4   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    5   19   75   76                                       
CONECT   23    5    6   24   24                                       
CONECT   24   23   23                                                 
CONECT   25    7    8   77   78                                       
CONECT   26    8    9    9   79                                       
CONECT   27    9   28   28   80                                       
CONECT   28   10   27   27   81                                       
CONECT   29   11   82                                                 
CONECT   30   12   13   83                                            
CONECT   31   13   14   35   35                                       
CONECT   32   14   14   15   33                                       
CONECT   33   32   36                                                 
CONECT   34   15   15   35   84                                       
CONECT   35   31   31   34   85                                       
CONECT   36   33   86   87   88                                       
CONECT   37    5   38   89                                            
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41                                                 
CONECT   41   40   42   90   91                                       
CONECT   42   41   43   47   47                                       
CONECT   43   42   44   44   92                                       
CONECT   44   43   43   45   93                                       
CONECT   45   44   46   46   94                                       
CONECT   46   45   45   47   95                                       
CONECT   47   42   42   46   96                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
