COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.074   3.256  -3.870  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.456  -3.414   1.122  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.932  -4.843   1.280  1.00  0.00           C  
HETATM    4  C   UNL     1       0.876  -2.995   0.490  1.00  0.00           C  
HETATM    5  C   UNL     1       1.954  -2.071   0.085  1.00  0.00           C  
HETATM    6  C   UNL     1       3.079  -2.562  -0.571  1.00  0.00           C  
HETATM    7  C   UNL     1       4.091  -1.682  -0.951  1.00  0.00           C  
HETATM    8  C   UNL     1       5.870  -0.690  -1.706  1.00  0.00           C  
HETATM    9  C   UNL     1       5.426   1.716  -1.093  1.00  0.00           C  
HETATM   10  C   UNL     1       6.071   2.027   0.233  1.00  0.00           C  
HETATM   11  C   UNL     1       7.437   1.845   0.401  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.423   2.519  -3.025  1.00  0.00           C  
HETATM   13  C   UNL     1       9.592   1.223  -0.385  1.00  0.00           C  
HETATM   14  C   UNL     1       8.027   2.133   1.623  1.00  0.00           C  
HETATM   15  C   UNL     1       7.255   2.600   2.669  1.00  0.00           C  
HETATM   16  C   UNL     1       5.895   2.780   2.499  1.00  0.00           C  
HETATM   17  C   UNL     1       5.305   2.499   1.280  1.00  0.00           C  
HETATM   18  C   UNL     1       3.961  -0.311  -0.665  1.00  0.00           C  
HETATM   19  C   UNL     1       2.831   0.162  -0.008  1.00  0.00           C  
HETATM   20  C   UNL     1       1.839  -0.701   0.356  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.747  -1.183   0.177  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.947  -1.259  -0.772  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.847   1.620  -1.994  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.365   0.311  -1.963  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.741   2.051  -1.013  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.147   1.180  -0.023  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.669  -0.118  -0.001  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.778  -0.550  -0.967  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.258  -1.964  -0.932  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.629  -3.402   0.135  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.030  -2.014  -0.127  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.391  -2.549   0.592  1.00  0.00           N  
HETATM   33  N   UNL     1       5.281  -1.843  -1.587  1.00  0.00           N  
HETATM   34  N   UNL     1       5.102   0.288  -1.155  1.00  0.00           N  
HETATM   35  O   UNL     1      -6.848   3.021   1.607  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.578   1.449   0.721  1.00  0.00           O  
HETATM   37  O   UNL     1       8.194   1.386  -0.630  1.00  0.00           O  
HETATM   38  O   UNL     1       1.132  -4.159   0.732  1.00  0.00           O  
HETATM   39  S   UNL     1      -7.275   1.723   1.217  1.00  0.00           S  
HETATM   40  F   UNL     1      -7.067   0.772   2.500  1.00  0.00           F  
HETATM   41  H   UNL     1      -3.763   3.914  -4.626  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.788  -3.037   2.089  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.512  -5.183   0.333  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.159  -4.863   2.048  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.751  -5.501   1.571  1.00  0.00           H  
HETATM   46  H   UNL     1       3.167  -3.617  -0.785  1.00  0.00           H  
HETATM   47  H   UNL     1       6.831  -0.532  -2.173  1.00  0.00           H  
HETATM   48  H   UNL     1       4.513   2.301  -1.200  1.00  0.00           H  
HETATM   49  H   UNL     1       6.115   1.967  -1.900  1.00  0.00           H  
HETATM   50  H   UNL     1      10.027   2.183  -0.108  1.00  0.00           H  
HETATM   51  H   UNL     1       9.738   0.510   0.427  1.00  0.00           H  
HETATM   52  H   UNL     1      10.078   0.851  -1.287  1.00  0.00           H  
HETATM   53  H   UNL     1       9.089   1.992   1.756  1.00  0.00           H  
HETATM   54  H   UNL     1       7.713   2.820   3.622  1.00  0.00           H  
HETATM   55  H   UNL     1       5.293   3.145   3.318  1.00  0.00           H  
HETATM   56  H   UNL     1       4.242   2.641   1.150  1.00  0.00           H  
HETATM   57  H   UNL     1       2.735   1.215   0.209  1.00  0.00           H  
HETATM   58  H   UNL     1       0.963  -0.328   0.866  1.00  0.00           H  
HETATM   59  H   UNL     1       0.099  -0.725  -0.337  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.010  -0.591   1.054  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.293  -0.252  -1.002  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.651  -1.762  -1.693  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.670  -0.027  -2.717  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.114   3.065  -1.029  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.990  -0.796   0.776  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.010  -2.616  -0.489  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.041  -2.296  -1.947  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.323  -3.875  -0.799  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.469  -3.950   0.562  1.00  0.00           H  
CONECT    1   12   12   12   41                                       
CONECT    2   32    3   30   42                                       
CONECT    3    2   43   44   45                                       
CONECT    4    5   32   38   38                                       
CONECT    5   20   20    6    4                                       
CONECT    6    7    7    5   46                                       
CONECT    7   18   33    6    6                                       
CONECT    8   34   33   33   47                                       
CONECT    9   10   34   48   49                                       
CONECT   10   17   17   11    9                                       
CONECT   11   14   14   10   37                                       
CONECT   12    1    1    1   23                                       
CONECT   13   37   50   51   52                                       
CONECT   14   15   11   11   53                                       
CONECT   15   16   16   14   54                                       
CONECT   16   15   15   17   55                                       
CONECT   17   16   10   10   56                                       
CONECT   18   34   19   19    7                                       
CONECT   19   18   18   20   57                                       
CONECT   20   19    5    5   58                                       
CONECT   21   32   22   59   60                                       
CONECT   22   21   31   61   62                                       
CONECT   23   24   12   25   25                                       
CONECT   24   28   28   23   63                                       
CONECT   25   23   23   26   64                                       
CONECT   26   27   27   25   39                                       
CONECT   27   28   26   26   65                                       
CONECT   28   29   24   24   27                                       
CONECT   29   31   28   66   67                                       
CONECT   30    2   31   68   69                                       
CONECT   31   22   29   30                                            
CONECT   32   21    4    2                                            
CONECT   33    8    8    7                                            
CONECT   34    9   18    8                                            
CONECT   35   39   39                                                 
CONECT   36   39   39                                                 
CONECT   37   11   13                                                 
CONECT   38    4    4                                                 
CONECT   39   26   36   36   35                                       
CONECT   39   35   40                                                 
CONECT   40   39                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
