COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.122   0.281  -1.062  1.00  0.00           C  
HETATM    2  C   UNL     1       6.813  -0.557  -1.058  1.00  0.00           C  
HETATM    3  C   UNL     1       7.105  -1.701  -0.064  1.00  0.00           C  
HETATM    4  O   UNL     1       8.761  -0.027   0.194  1.00  0.00           O  
HETATM    5  N   UNL     1       5.751   0.299  -0.515  1.00  0.00           N  
HETATM    6  C   UNL     1       7.601   1.740  -0.999  1.00  0.00           C  
HETATM    7  C   UNL     1       6.338   1.590  -0.116  1.00  0.00           C  
HETATM    8  C   UNL     1       4.452  -0.041  -0.401  1.00  0.00           C  
HETATM    9  C   UNL     1       3.469   0.932   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1       3.773   1.115   1.686  1.00  0.00           C  
HETATM   11  C   UNL     1       1.059   1.256   0.045  1.00  0.00           C  
HETATM   12  C   UNL     1       4.519  -1.239   2.070  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.316   0.726  -0.035  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.406   1.602  -0.027  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.895  -0.269  -0.186  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.274  -0.802  -0.266  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.499  -0.589  -0.418  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.827  -0.896  -0.570  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.145  -0.139  -0.751  1.00  0.00           C  
HETATM   20  F   UNL     1       7.268   2.207  -2.275  1.00  0.00           F  
HETATM   21  C   UNL     1       8.557  -1.442   0.396  1.00  0.00           C  
HETATM   22  O   UNL     1       7.006  -2.968  -0.717  1.00  0.00           O  
HETATM   23  O   UNL     1       4.075  -1.130  -0.779  1.00  0.00           O  
HETATM   24  C   UNL     1       3.470  -0.186   2.432  1.00  0.00           C  
HETATM   25  C   UNL     1       3.504   0.071   3.940  1.00  0.00           C  
HETATM   26  N   UNL     1       2.108   0.411   0.037  1.00  0.00           N  
HETATM   27  O   UNL     1       1.244   2.456   0.118  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.682   1.108  -0.102  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.807  -1.145  -0.200  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.530  -0.653  -0.125  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.540  -2.121  -0.254  1.00  0.00           C  
HETATM   32  S   UNL     1      -6.285  -2.335  -0.365  1.00  0.00           S  
HETATM   33  N   UNL     1      -5.342  -0.008  -0.349  1.00  0.00           N  
HETATM   34  N   UNL     1      -7.717   0.065  -0.510  1.00  0.00           N  
HETATM   35  N   UNL     1     -10.325   0.800   0.366  1.00  0.00           N  
HETATM   36  C   UNL     1     -11.616   1.493   0.269  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.215   1.761   0.426  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.897   1.003   0.606  1.00  0.00           C  
HETATM   39  H   UNL     1       8.758   0.080  -1.924  1.00  0.00           H  
HETATM   40  H   UNL     1       6.573  -0.936  -2.051  1.00  0.00           H  
HETATM   41  H   UNL     1       6.421  -1.654   0.783  1.00  0.00           H  
HETATM   42  H   UNL     1       8.333   2.394  -0.525  1.00  0.00           H  
HETATM   43  H   UNL     1       5.639   2.402  -0.315  1.00  0.00           H  
HETATM   44  H   UNL     1       6.612   1.573   0.938  1.00  0.00           H  
HETATM   45  H   UNL     1       3.552   1.892  -0.311  1.00  0.00           H  
HETATM   46  H   UNL     1       4.825   1.369   1.813  1.00  0.00           H  
HETATM   47  H   UNL     1       3.154   1.917   2.087  1.00  0.00           H  
HETATM   48  H   UNL     1       4.348  -1.587   1.051  1.00  0.00           H  
HETATM   49  H   UNL     1       5.514  -0.799   2.141  1.00  0.00           H  
HETATM   50  H   UNL     1       4.444  -2.079   2.759  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.242   2.667   0.038  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.862  -1.470   0.356  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.678  -1.572  -1.412  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.121   0.414  -1.690  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.973  -0.848  -0.767  1.00  0.00           H  
HETATM   56  H   UNL     1       8.672  -1.695   1.449  1.00  0.00           H  
HETATM   57  H   UNL     1       9.255  -2.017  -0.212  1.00  0.00           H  
HETATM   58  H   UNL     1       7.180  -3.723  -0.138  1.00  0.00           H  
HETATM   59  H   UNL     1       2.481  -0.546   2.147  1.00  0.00           H  
HETATM   60  H   UNL     1       4.492   0.431   4.224  1.00  0.00           H  
HETATM   61  H   UNL     1       2.756   0.821   4.198  1.00  0.00           H  
HETATM   62  H   UNL     1       3.288  -0.856   4.471  1.00  0.00           H  
HETATM   63  H   UNL     1       1.964  -0.541  -0.074  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.524   1.785  -0.095  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.972  -2.210  -0.264  1.00  0.00           H  
HETATM   66  H   UNL     1       0.311  -1.330  -0.135  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.808  -2.913  -0.188  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.634   2.103  -0.634  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.420   0.758   0.226  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.753   2.131   1.142  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.180   2.335  -0.500  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.364   2.437   1.268  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.921   0.451   1.546  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.069   1.712   0.622  1.00  0.00           H  
CONECT    1    6    2    4   39                                       
CONECT    2    5    1    3   40                                       
CONECT    3    2   21   22   41                                       
CONECT    4    1   21                                                 
CONECT    5    7    8    2                                            
CONECT    6   20    7    1   42                                       
CONECT    7    6    5   43   44                                       
CONECT    8    9    5   23   23                                       
CONECT    9   26   10    8   45                                       
CONECT   10   24    9   46   47                                       
CONECT   11   13   27   27   26                                       
CONECT   12   24   48   49   50                                       
CONECT   13   30   30   14   11                                       
CONECT   14   28   28   13   51                                       
CONECT   15   16   29   29   28                                       
CONECT   16   33   31   31   15                                       
CONECT   17   34   33   33   32                                       
CONECT   18   19   34   52   53                                       
CONECT   19   35   18   54   55                                       
CONECT   20    6                                                      
CONECT   21    4    3   56   57                                       
CONECT   22    3   58                                                 
CONECT   23    8    8                                                 
CONECT   24   25   12   10   59                                       
CONECT   25   24   60   61   62                                       
CONECT   26   11    9   63                                            
CONECT   27   11   11                                                 
CONECT   28   15   14   14   64                                       
CONECT   29   15   15   30   65                                       
CONECT   30   29   13   13   66                                       
CONECT   31   32   16   16   67                                       
CONECT   32   17   31                                                 
CONECT   33   17   17   16                                            
CONECT   34   38   18   17                                            
CONECT   35   36   37   19                                            
CONECT   36   35   68   69   70                                       
CONECT   37   35   38   71   72                                       
CONECT   38   37   34   73   74                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
