COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.533  -0.294   1.292  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.887  -0.530  -0.074  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.553   0.372  -1.116  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.417  -0.207   0.003  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.307  -0.358  -0.053  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.892  -0.854  -0.200  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.154  -0.698   1.132  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.701  -1.146   0.961  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.702  -0.621  -0.165  1.00  0.00           C  
HETATM   10  C   UNL     1       0.989  -2.140  -0.546  1.00  0.00           C  
HETATM   11  C   UNL     1       1.594   0.032  -0.068  1.00  0.00           C  
HETATM   12  C   UNL     1       3.928   0.610   0.138  1.00  0.00           C  
HETATM   13  C   UNL     1       4.292  -0.655   0.578  1.00  0.00           C  
HETATM   14  C   UNL     1       5.622  -1.028   0.584  1.00  0.00           C  
HETATM   15  C   UNL     1       6.592  -0.142   0.152  1.00  0.00           C  
HETATM   16  C   UNL     1       8.557  -1.362  -1.472  1.00  0.00           C  
HETATM   17  C   UNL     1       6.235   1.120  -0.287  1.00  0.00           C  
HETATM   18  C   UNL     1       4.905   1.499  -0.297  1.00  0.00           C  
HETATM   19  C   UNL     1       0.249   0.374   0.039  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.717  -0.500  -1.375  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.171  -0.033  -1.273  1.00  0.00           C  
HETATM   22  F   UNL     1       4.556   2.731  -0.727  1.00  0.00           F  
HETATM   23  N   UNL     1      -7.897   0.942   0.316  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.055  -0.330  -0.075  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.294  -1.856  -0.454  1.00  0.00           N  
HETATM   26  N   UNL     1       1.920  -1.226  -0.360  1.00  0.00           N  
HETATM   27  N   UNL     1       2.580   0.988   0.126  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.159   1.760   0.361  1.00  0.00           N1+
HETATM   29  N   UNL     1      -7.402  -1.057  -0.235  1.00  0.00           N  
HETATM   30  O   UNL     1      -6.686   0.877   0.288  1.00  0.00           O  
HETATM   31  O   UNL     1       8.998   0.603   0.277  1.00  0.00           O  
HETATM   32  O   UNL     1       8.365  -1.613   1.177  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.389   2.074   1.515  1.00  0.00           O1-
HETATM   34  O   UNL     1      -0.264   2.586  -0.527  1.00  0.00           O  
HETATM   35  S   UNL     1       8.287  -0.622   0.162  1.00  0.00           S  
HETATM   36  H   UNL     1     -10.405   0.750   1.580  1.00  0.00           H  
HETATM   37  H   UNL     1     -11.597  -0.527   1.237  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.059  -0.936   2.034  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.015  -1.573  -0.362  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.425   1.415  -0.828  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.093   0.204  -2.089  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.616   0.138  -1.171  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.902  -1.905  -0.490  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.178   0.347   1.442  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.637  -1.314   1.890  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.169  -1.023   1.904  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.676  -2.195   0.664  1.00  0.00           H  
HETATM   48  H   UNL     1       1.286  -3.151  -0.782  1.00  0.00           H  
HETATM   49  H   UNL     1       3.535  -1.348   0.917  1.00  0.00           H  
HETATM   50  H   UNL     1       5.905  -2.012   0.927  1.00  0.00           H  
HETATM   51  H   UNL     1       8.348  -0.623  -2.245  1.00  0.00           H  
HETATM   52  H   UNL     1       9.593  -1.692  -1.555  1.00  0.00           H  
HETATM   53  H   UNL     1       7.893  -2.218  -1.598  1.00  0.00           H  
HETATM   54  H   UNL     1       6.995   1.809  -0.624  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.693  -1.552  -1.660  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.197   0.092  -2.128  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.666  -0.174  -2.234  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.195   1.022  -1.001  1.00  0.00           H  
HETATM   59  H   UNL     1       2.336   1.918   0.253  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    4    3   39                                       
CONECT    3    2   40   41   42                                       
CONECT    4    2   29   23   23                                       
CONECT    5   29   29    6   30                                       
CONECT    6   21    5    7   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7   24   46   47                                       
CONECT    9   24   19   19   25                                       
CONECT   10   25   25   26   48                                       
CONECT   11   19   27   26   26                                       
CONECT   12   27   13   13   18                                       
CONECT   13   12   12   14   49                                       
CONECT   14   13   15   15   50                                       
CONECT   15   14   14   17   35                                       
CONECT   16   35   51   52   53                                       
CONECT   17   18   18   15   54                                       
CONECT   18   12   22   17   17                                       
CONECT   19   28    9    9   11                                       
CONECT   20   21   24   55   56                                       
CONECT   21    6   20   57   58                                       
CONECT   22   18                                                      
CONECT   23    4    4   30                                            
CONECT   24   20    8    9                                            
CONECT   25    9   10   10                                            
CONECT   26   11   11   10                                            
CONECT   27   11   12   59                                            
CONECT   28   34   34   33   19                                       
CONECT   29    4    5    5                                            
CONECT   30    5   23                                                 
CONECT   31   35   35                                                 
CONECT   32   35   35                                                 
CONECT   33   28                                                      
CONECT   34   28   28                                                 
CONECT   35   15   16   31   31                                       
CONECT   35   32   32                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   27                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
