COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.603   3.032  -0.308  1.00  0.00           N  
HETATM    2  C   UNL     1       2.003   3.261  -0.676  1.00  0.00           C  
HETATM    3  C   UNL     1       2.757   1.958  -0.618  1.00  0.00           C  
HETATM    4  C   UNL     1       3.531  -0.040  -1.686  1.00  0.00           C  
HETATM    5  C   UNL     1       3.366   1.564   0.559  1.00  0.00           C  
HETATM    6  C   UNL     1       6.352  -1.465  -0.064  1.00  0.00           C  
HETATM    7  C   UNL     1       0.053   2.997   0.990  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.958   2.703   2.272  1.00  0.00           C  
HETATM    9  C   UNL     1       0.107   3.119   3.400  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.486   1.495  -1.941  1.00  0.00           O  
HETATM   11  S   UNL     1      -0.683   2.764  -1.333  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.910   3.969  -2.053  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.310   2.759   1.033  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.920   2.602  -0.229  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.336   2.347  -0.508  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.610   0.844  -0.418  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.088   0.577  -0.710  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.358  -0.903  -0.620  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.601  -1.375  -0.841  1.00  0.00           N  
HETATM   20  C   UNL     1      -7.689  -0.450  -1.167  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.863  -2.814  -0.754  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.386  -3.319  -2.101  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.910  -3.077   0.330  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.339  -2.687   1.695  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.316  -2.932   2.708  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.457  -1.668  -0.350  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.255   2.882   3.443  1.00  0.00           C  
HETATM   28  C   UNL     1       0.756   3.177   2.186  1.00  0.00           C  
HETATM   29  C   UNL     1       4.059   0.369   0.613  1.00  0.00           C  
HETATM   30  C   UNL     1       4.141  -0.433  -0.510  1.00  0.00           C  
HETATM   31  C   UNL     1       2.835   1.153  -1.739  1.00  0.00           C  
HETATM   32  C   UNL     1       4.897  -1.736  -0.451  1.00  0.00           C  
HETATM   33  O   UNL     1       4.854  -2.369  -1.731  1.00  0.00           O  
HETATM   34  C   UNL     1       4.253  -2.651   0.592  1.00  0.00           C  
HETATM   35  F   UNL     1       2.923  -2.899   0.239  1.00  0.00           F  
HETATM   36  F   UNL     1       4.954  -3.861   0.647  1.00  0.00           F  
HETATM   37  F   UNL     1       4.295  -2.031   1.846  1.00  0.00           F  
HETATM   38  F   UNL     1       7.080  -2.658  -0.125  1.00  0.00           F  
HETATM   39  F   UNL     1       6.905  -0.535  -0.951  1.00  0.00           F  
HETATM   40  F   UNL     1       6.401  -0.955   1.237  1.00  0.00           F  
HETATM   41  H   UNL     1       2.051   3.663  -1.688  1.00  0.00           H  
HETATM   42  H   UNL     1       2.450   3.971   0.019  1.00  0.00           H  
HETATM   43  H   UNL     1       3.592  -0.669  -2.562  1.00  0.00           H  
HETATM   44  H   UNL     1       3.302   2.191   1.436  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.021   2.518   2.311  1.00  0.00           H  
HETATM   46  H   UNL     1       0.660   3.259   4.317  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.951   2.873   0.222  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.578   2.701  -1.510  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.994   0.318  -1.148  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.368   0.490   0.584  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.703   1.103   0.020  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.330   0.931  -1.712  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.743  -0.320  -2.248  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.632  -0.856  -0.802  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.501   0.513  -0.695  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.941  -3.337  -0.504  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.582  -4.389  -2.036  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.309  -2.796  -2.352  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.641  -3.132  -2.874  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.801  -2.484   0.126  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.171  -4.135   0.335  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.447  -3.280   1.899  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.078  -1.629   1.691  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.022  -2.708   3.601  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.766   2.837   4.393  1.00  0.00           H  
HETATM   66  H   UNL     1       1.819   3.362   2.158  1.00  0.00           H  
HETATM   67  H   UNL     1       4.536   0.062   1.532  1.00  0.00           H  
HETATM   68  H   UNL     1       2.355   1.458  -2.657  1.00  0.00           H  
HETATM   69  H   UNL     1       3.960  -2.571  -2.041  1.00  0.00           H  
CONECT    1   11    2    7                                            
CONECT    2    3    1   41   42                                       
CONECT    3    5    2   31   31                                       
CONECT    4   30   30   31   43                                       
CONECT    5   29   29    3   44                                       
CONECT    6   32   39   40   38                                       
CONECT    7    1   13   13   28                                       
CONECT    8   13   27   27   45                                       
CONECT    9   28   28   27   46                                       
CONECT   10   11   11                                                 
CONECT   11   10   10   12   12                                       
CONECT   11   14    1                                                 
CONECT   12   11   11                                                 
CONECT   13   14    7    7    8                                       
CONECT   14   11   15   13                                            
CONECT   15   16   14   47   48                                       
CONECT   16   17   15   49   50                                       
CONECT   17   18   16   51   52                                       
CONECT   18   26   26   17   19                                       
CONECT   19   18   21   20                                            
CONECT   20   19   53   54   55                                       
CONECT   21   19   23   22   56                                       
CONECT   22   21   57   58   59                                       
CONECT   23   21   24   60   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   64                                                 
CONECT   26   18   18                                                 
CONECT   27    8    8    9   65                                       
CONECT   28    7    9    9   66                                       
CONECT   29    5    5   30   67                                       
CONECT   30   29   32    4    4                                       
CONECT   31    3    3    4   68                                       
CONECT   32   33   34   30    6                                       
CONECT   33   32   69                                                 
CONECT   34   36   37   32   35                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
