COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -11.578   1.346  -1.136  1.00  0.00           N  
HETATM    2  C   UNL     1     -10.514   1.119  -0.805  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.174   0.834  -0.389  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.836   0.882   0.965  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.541   0.606   1.359  1.00  0.00           C  
HETATM    6  F   UNL     1      -7.210   0.652   2.668  1.00  0.00           F  
HETATM    7  C   UNL     1      -8.202   0.502  -1.334  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.912   0.228  -0.928  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.580   0.282   0.414  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.170  -0.019   0.850  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.371  -0.323  -0.295  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.064  -0.620  -0.075  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.253  -0.919  -1.133  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.901  -1.225  -0.906  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.036  -1.537  -1.970  1.00  0.00           C  
HETATM   16  C   UNL     1       1.268  -1.828  -1.714  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.565  -0.609   1.231  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.260  -0.902   1.483  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.399  -1.220   0.419  1.00  0.00           C  
HETATM   20  C   UNL     1       0.954  -1.526   0.644  1.00  0.00           C  
HETATM   21  C   UNL     1       1.762  -1.823  -0.410  1.00  0.00           C  
HETATM   22  S   UNL     1       3.458  -2.207  -0.123  1.00  0.00           S  
HETATM   23  O   UNL     1       3.544  -2.662   1.220  1.00  0.00           O  
HETATM   24  O   UNL     1       3.888  -2.980  -1.235  1.00  0.00           O  
HETATM   25  N   UNL     1       4.300  -0.783  -0.190  1.00  0.00           N  
HETATM   26  C   UNL     1       4.060   0.259   0.812  1.00  0.00           C  
HETATM   27  C   UNL     1       5.085   0.128   1.940  1.00  0.00           C  
HETATM   28  C   UNL     1       6.495   0.286   1.369  1.00  0.00           C  
HETATM   29  C   UNL     1       6.629   1.663   0.715  1.00  0.00           C  
HETATM   30  C   UNL     1       8.018   1.820   0.153  1.00  0.00           C  
HETATM   31  O   UNL     1       9.084   1.741   0.965  1.00  0.00           O  
HETATM   32  O   UNL     1       8.172   2.016  -1.030  1.00  0.00           O  
HETATM   33  C   UNL     1       5.603   1.794  -0.413  1.00  0.00           C  
HETATM   34  C   UNL     1       4.193   1.636   0.159  1.00  0.00           C  
HETATM   35  C   UNL     1       3.183   1.764  -0.952  1.00  0.00           C  
HETATM   36  O   UNL     1       3.117   2.896  -1.671  1.00  0.00           O  
HETATM   37  O   UNL     1       2.434   0.849  -1.197  1.00  0.00           O  
HETATM   38  H   UNL     1      -9.584   1.135   1.701  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.460   0.458  -2.382  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.161  -0.030  -1.659  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.755   0.849   1.362  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.173  -0.873   1.528  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.649  -0.920  -2.138  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.224  -0.365   2.051  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.405  -1.545  -2.985  1.00  0.00           H  
HETATM   46  H   UNL     1       1.931  -2.067  -2.532  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.888  -0.890   2.497  1.00  0.00           H  
HETATM   48  H   UNL     1       1.351  -1.525   1.649  1.00  0.00           H  
HETATM   49  H   UNL     1       4.954  -0.638  -0.892  1.00  0.00           H  
HETATM   50  H   UNL     1       3.055   0.146   1.219  1.00  0.00           H  
HETATM   51  H   UNL     1       4.905   0.903   2.686  1.00  0.00           H  
HETATM   52  H   UNL     1       4.989  -0.853   2.406  1.00  0.00           H  
HETATM   53  H   UNL     1       4.014   2.410   0.904  1.00  0.00           H  
HETATM   54  H   UNL     1       7.225   0.193   2.173  1.00  0.00           H  
HETATM   55  H   UNL     1       6.674  -0.488   0.623  1.00  0.00           H  
HETATM   56  H   UNL     1       6.449   2.438   1.461  1.00  0.00           H  
HETATM   57  H   UNL     1       5.699   2.775  -0.878  1.00  0.00           H  
HETATM   58  H   UNL     1       5.783   1.019  -1.158  1.00  0.00           H  
HETATM   59  H   UNL     1       9.954   1.848   0.558  1.00  0.00           H  
HETATM   60  H   UNL     1       2.453   2.932  -2.373  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6    9                                       
CONECT    6    5                                                      
CONECT    7    3    3    8   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    5    8    8   10                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   14   43                                       
CONECT   14   13   13   15   19                                       
CONECT   15   14   16   16   45                                       
CONECT   16   15   15   21   46                                       
CONECT   17   12   12   18   44                                       
CONECT   18   17   19   19   47                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19   21   21   48                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   49                                            
CONECT   26   25   27   34   50                                       
CONECT   27   26   28   51   52                                       
CONECT   28   27   29   54   55                                       
CONECT   29   28   30   33   56                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   59                                                 
CONECT   32   30   30                                                 
CONECT   33   29   34   57   58                                       
CONECT   34   26   33   35   53                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35   60                                                 
CONECT   37   35   35                                                 
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   34                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   31                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
