COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.336   1.436  -0.777  1.00  0.00           N  
HETATM    2  N   UNL     1      -8.202  -1.263   0.422  1.00  0.00           N1+
HETATM    3  C   UNL     1       6.370  -2.582  -0.344  1.00  0.00           C  
HETATM    4  C   UNL     1       7.449  -0.030  -0.350  1.00  0.00           C  
HETATM    5  C   UNL     1       6.079  -0.195  -0.398  1.00  0.00           C  
HETATM    6  C   UNL     1       5.533  -1.473  -0.395  1.00  0.00           C  
HETATM    7  C   UNL     1       3.167   0.017  -0.511  1.00  0.00           C  
HETATM    8  C   UNL     1       3.495   2.659   2.101  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.158   0.511  -0.234  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.701   0.217  -0.222  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.798  -1.604   0.900  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.917   0.758  -0.660  1.00  0.00           C  
HETATM   13  C   UNL     1       1.647   0.003  -0.694  1.00  0.00           C  
HETATM   14  C   UNL     1       9.773  -0.952  -0.236  1.00  0.00           C  
HETATM   15  C   UNL     1       1.547   2.113   0.633  1.00  0.00           C  
HETATM   16  C   UNL     1       1.125   1.443  -0.678  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.439   0.899  -0.577  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.653  -0.952   0.550  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.088  -1.072   0.451  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.100   0.155  -0.350  1.00  0.00           C  
HETATM   21  C   UNL     1       8.278  -1.136  -0.288  1.00  0.00           C  
HETATM   22  C   UNL     1       7.739  -2.409  -0.290  1.00  0.00           C  
HETATM   23  C   UNL     1       3.070   2.045   0.765  1.00  0.00           C  
HETATM   24  F   UNL     1      -2.458  -1.439   0.951  1.00  0.00           F  
HETATM   25  F   UNL     1      -4.743  -2.733   1.640  1.00  0.00           F  
HETATM   26  F   UNL     1      -7.269   0.683  -0.776  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.918   1.890  -1.397  1.00  0.00           F  
HETATM   28  N   UNL     1      -7.219  -1.681   0.773  1.00  0.00           N  
HETATM   29  N   UNL     1      -9.184  -0.845   0.071  1.00  0.00           N1-
HETATM   30  N   UNL     1      -2.302   2.027  -1.301  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.050   2.305  -1.400  1.00  0.00           N  
HETATM   32  O   UNL     1       3.492   0.681   0.712  1.00  0.00           O  
HETATM   33  O   UNL     1       4.922   2.701   2.174  1.00  0.00           O  
HETATM   34  O   UNL     1       0.942   1.431   1.734  1.00  0.00           O  
HETATM   35  O   UNL     1       1.322  -0.611  -1.943  1.00  0.00           O  
HETATM   36  S   UNL     1       3.786  -1.688  -0.457  1.00  0.00           S  
HETATM   37  H   UNL     1       5.950  -3.576  -0.341  1.00  0.00           H  
HETATM   38  H   UNL     1       7.873   0.963  -0.353  1.00  0.00           H  
HETATM   39  H   UNL     1       5.432   0.669  -0.446  1.00  0.00           H  
HETATM   40  H   UNL     1       3.628   0.545  -1.345  1.00  0.00           H  
HETATM   41  H   UNL     1       3.097   3.671   2.178  1.00  0.00           H  
HETATM   42  H   UNL     1       3.107   2.052   2.919  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.872  -0.353   0.348  1.00  0.00           H  
HETATM   44  H   UNL     1       1.188  -0.560   0.119  1.00  0.00           H  
HETATM   45  H   UNL     1      10.094  -0.880   0.803  1.00  0.00           H  
HETATM   46  H   UNL     1      10.260  -1.805  -0.709  1.00  0.00           H  
HETATM   47  H   UNL     1      10.045  -0.039  -0.765  1.00  0.00           H  
HETATM   48  H   UNL     1       1.226   3.155   0.630  1.00  0.00           H  
HETATM   49  H   UNL     1       1.545   1.992  -1.521  1.00  0.00           H  
HETATM   50  H   UNL     1       8.389  -3.270  -0.250  1.00  0.00           H  
HETATM   51  H   UNL     1       3.531   2.600  -0.053  1.00  0.00           H  
HETATM   52  H   UNL     1       5.262   3.079   2.996  1.00  0.00           H  
HETATM   53  H   UNL     1       1.168   1.801   2.598  1.00  0.00           H  
HETATM   54  H   UNL     1       1.627  -1.525  -2.023  1.00  0.00           H  
CONECT    1   31   16    9                                            
CONECT    2   29   29   28   28                                       
CONECT    3   22   22    6   37                                       
CONECT    4   21   21    5   38                                       
CONECT    5    4    6    6   39                                       
CONECT    6    5    5    3   36                                       
CONECT    7   36   13   32   40                                       
CONECT    8   23   33   41   42                                       
CONECT    9    1   17   17   43                                       
CONECT   10   17   18   18   12                                       
CONECT   11   18   25   19   19                                       
CONECT   12   10   27   20   20                                       
CONECT   13   35    7   16   44                                       
CONECT   14   21   45   46   47                                       
CONECT   15   16   23   34   48                                       
CONECT   16   13    1   15   49                                       
CONECT   17   30    9    9   10                                       
CONECT   18   24   10   10   11                                       
CONECT   19   11   11   20   28                                       
CONECT   20   12   12   19   26                                       
CONECT   21   14    4    4   22                                       
CONECT   22   21    3    3   50                                       
CONECT   23   32   15    8   51                                       
CONECT   24   18                                                      
CONECT   25   11                                                      
CONECT   26   20                                                      
CONECT   27   12                                                      
CONECT   28   19    2    2                                            
CONECT   29    2    2                                                 
CONECT   30   31   31   17                                            
CONECT   31   30   30    1                                            
CONECT   32    7   23                                                 
CONECT   33    8   52                                                 
CONECT   34   15   53                                                 
CONECT   35   13   54                                                 
CONECT   36    6    7                                                 
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   33                                                      
CONECT   53   34                                                      
CONECT   54   35                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
