COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.214  -0.674  -1.190  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.531   1.099  -1.106  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.337   0.084  -0.293  1.00  0.00           C  
HETATM    4  N   UNL     1       3.609  -5.727   0.539  1.00  0.00           N1+
HETATM    5  C   UNL     1     -11.034  -1.549   0.668  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.354   4.428   0.833  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.542   3.935   2.355  1.00  0.00           C  
HETATM    8  O   UNL     1       5.538  -0.133  -2.489  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.809   2.905  -0.982  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.615   1.890  -0.169  1.00  0.00           C  
HETATM   11  N   UNL     1      10.417   0.884   0.383  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.152   4.624  -0.769  1.00  0.00           C  
HETATM   13  O   UNL     1     -10.668  -2.531  -1.786  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.282   5.350   0.259  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.844  -2.839  -0.143  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.488   5.008   1.811  1.00  0.00           C  
HETATM   17  N   UNL     1       0.341   3.473   1.281  1.00  0.00           N  
HETATM   18  C   UNL     1       1.263   2.522   1.530  1.00  0.00           C  
HETATM   19  O   UNL     1       1.363   2.049   2.645  1.00  0.00           O  
HETATM   20  C   UNL     1       2.156   2.055   0.445  1.00  0.00           C  
HETATM   21  C   UNL     1       2.040   2.601  -0.836  1.00  0.00           C  
HETATM   22  C   UNL     1       2.867   2.171  -1.853  1.00  0.00           C  
HETATM   23  C   UNL     1       3.825   1.189  -1.609  1.00  0.00           C  
HETATM   24  C   UNL     1       4.707   0.726  -2.702  1.00  0.00           C  
HETATM   25  C   UNL     1       3.948   0.634  -0.319  1.00  0.00           C  
HETATM   26  C   UNL     1       4.960  -0.405  -0.053  1.00  0.00           C  
HETATM   27  C   UNL     1       4.594  -1.755   0.095  1.00  0.00           C  
HETATM   28  C   UNL     1       3.243  -2.149  -0.009  1.00  0.00           C  
HETATM   29  C   UNL     1       2.906  -3.451   0.135  1.00  0.00           C  
HETATM   30  C   UNL     1       3.941  -4.450   0.398  1.00  0.00           C  
HETATM   31  C   UNL     1       2.205  -6.134   0.431  1.00  0.00           C  
HETATM   32  C   UNL     1       4.644  -6.729   0.802  1.00  0.00           C  
HETATM   33  C   UNL     1       5.293  -4.060   0.502  1.00  0.00           C  
HETATM   34  C   UNL     1       5.636  -2.747   0.357  1.00  0.00           C  
HETATM   35  C   UNL     1       6.383  -0.067   0.060  1.00  0.00           C  
HETATM   36  C   UNL     1       6.809   1.261  -0.083  1.00  0.00           C  
HETATM   37  C   UNL     1       8.133   1.566   0.025  1.00  0.00           C  
HETATM   38  C   UNL     1       7.320  -1.087   0.315  1.00  0.00           C  
HETATM   39  C   UNL     1       8.664  -0.759   0.420  1.00  0.00           C  
HETATM   40  C   UNL     1       9.069   0.560   0.277  1.00  0.00           C  
HETATM   41  C   UNL     1      11.388  -0.143   0.771  1.00  0.00           C  
HETATM   42  C   UNL     1      10.866   2.251   0.108  1.00  0.00           C  
HETATM   43  C   UNL     1       3.112   1.077   0.705  1.00  0.00           C  
HETATM   44  F   UNL     1     -11.975  -0.646   0.161  1.00  0.00           F  
HETATM   45  F   UNL     1     -10.290  -0.930   1.678  1.00  0.00           F  
HETATM   46  F   UNL     1     -11.695  -2.665   1.192  1.00  0.00           F  
HETATM   47  O   UNL     1      -4.954   3.644  -0.107  1.00  0.00           O  
HETATM   48  O   UNL     1       4.588   1.258  -3.934  1.00  0.00           O  
HETATM   49  O   UNL     1       6.929  -2.371   0.457  1.00  0.00           O  
HETATM   50  S   UNL     1      -9.923  -2.075  -0.666  1.00  0.00           S  
HETATM   51  H   UNL     1      -9.382  -0.352  -2.089  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.927   0.574  -1.846  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.212   1.783  -1.611  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.941   0.609   0.447  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.656  -0.600   0.213  1.00  0.00           H  
HETATM   56  H   UNL     1       0.057   4.354   3.163  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.125   3.095   2.733  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.205   2.380  -1.722  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.490   3.589  -1.487  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.219   2.415   0.571  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.934   1.206   0.337  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.799   5.344  -1.270  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.514   4.135  -1.505  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.915   5.764   1.044  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.737   6.157  -0.231  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.906   5.807   1.353  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.084   5.414   2.628  1.00  0.00           H  
HETATM   68  H   UNL     1       0.261   3.851   0.392  1.00  0.00           H  
HETATM   69  H   UNL     1       1.299   3.362  -1.030  1.00  0.00           H  
HETATM   70  H   UNL     1       2.772   2.597  -2.841  1.00  0.00           H  
HETATM   71  H   UNL     1       2.478  -1.411  -0.202  1.00  0.00           H  
HETATM   72  H   UNL     1       1.872  -3.754   0.057  1.00  0.00           H  
HETATM   73  H   UNL     1       1.825  -5.870  -0.556  1.00  0.00           H  
HETATM   74  H   UNL     1       2.128  -7.212   0.574  1.00  0.00           H  
HETATM   75  H   UNL     1       1.619  -5.623   1.195  1.00  0.00           H  
HETATM   76  H   UNL     1       5.020  -7.120  -0.144  1.00  0.00           H  
HETATM   77  H   UNL     1       5.463  -6.269   1.356  1.00  0.00           H  
HETATM   78  H   UNL     1       4.221  -7.543   1.389  1.00  0.00           H  
HETATM   79  H   UNL     1       6.056  -4.799   0.697  1.00  0.00           H  
HETATM   80  H   UNL     1       6.089   2.042  -0.278  1.00  0.00           H  
HETATM   81  H   UNL     1       8.460   2.589  -0.086  1.00  0.00           H  
HETATM   82  H   UNL     1       9.395  -1.530   0.615  1.00  0.00           H  
HETATM   83  H   UNL     1      11.765  -0.641  -0.122  1.00  0.00           H  
HETATM   84  H   UNL     1      12.216   0.324   1.304  1.00  0.00           H  
HETATM   85  H   UNL     1      10.905  -0.874   1.418  1.00  0.00           H  
HETATM   86  H   UNL     1      10.001   2.888  -0.074  1.00  0.00           H  
HETATM   87  H   UNL     1      11.422   2.630   0.966  1.00  0.00           H  
HETATM   88  H   UNL     1      11.510   2.251  -0.771  1.00  0.00           H  
HETATM   89  H   UNL     1       3.201   0.656   1.696  1.00  0.00           H  
HETATM   90  H   UNL     1       5.186   0.924  -4.616  1.00  0.00           H  
CONECT    1    3   50   51                                            
CONECT    2   10    3   52   53                                       
CONECT    3    2    1   54   55                                       
CONECT    4   32   31   30   30                                       
CONECT    5   50   45   44   46                                       
CONECT    6   16   14                                                 
CONECT    7   17   16   56   57                                       
CONECT    8   24   24                                                 
CONECT    9   47   10   58   59                                       
CONECT   10    9    2   60   61                                       
CONECT   11   42   40   41                                            
CONECT   12   14   47   62   63                                       
CONECT   13   50   50                                                 
CONECT   14    6   12   64   65                                       
CONECT   15   50   50                                                 
CONECT   16    7    6   66   67                                       
CONECT   17   18    7   68                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   43   43   21   18                                       
CONECT   21   22   22   20   69                                       
CONECT   22   23   21   21   70                                       
CONECT   23   24   25   25   22                                       
CONECT   24    8    8   48   23                                       
CONECT   25   26   23   23   43                                       
CONECT   26   27   27   35   25                                       
CONECT   27   34   28   26   26                                       
CONECT   28   29   29   27   71                                       
CONECT   29   30   28   28   72                                       
CONECT   30    4    4   33   29                                       
CONECT   31    4   73   74   75                                       
CONECT   32    4   76   77   78                                       
CONECT   33   30   34   34   79                                       
CONECT   34   33   33   49   27                                       
CONECT   35   38   38   26   36                                       
CONECT   36   35   37   37   80                                       
CONECT   37   40   36   36   81                                       
CONECT   38   49   39   35   35                                       
CONECT   39   38   40   40   82                                       
CONECT   40   39   39   11   37                                       
CONECT   41   11   83   84   85                                       
CONECT   42   11   86   87   88                                       
CONECT   43   25   20   20   89                                       
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47   12    9                                                 
CONECT   48   24   90                                                 
CONECT   49   34   38                                                 
CONECT   50   15   15    1   13                                       
CONECT   50   13    5                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   48                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
