COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.420  -4.270  -2.408  1.00  0.00           C  
HETATM    2  C   UNL     1       1.372   1.161   0.372  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.586   2.486   0.718  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.855   0.288   0.070  1.00  0.00           C  
HETATM    5  C   UNL     1       1.654   3.552   1.077  1.00  0.00           C  
HETATM    6  C   UNL     1       3.060   5.848   0.244  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.926   0.922  -0.227  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.215  -1.379   0.387  1.00  0.00           C  
HETATM    9  N   UNL     1       4.036  -3.596   1.320  1.00  0.00           N  
HETATM   10  C   UNL     1       3.748  -2.392   1.942  1.00  0.00           C  
HETATM   11  C   UNL     1       2.819  -1.569   1.477  1.00  0.00           C  
HETATM   12  N   UNL     1       2.088  -1.880   0.337  1.00  0.00           N  
HETATM   13  C   UNL     1       2.336  -3.070  -0.320  1.00  0.00           C  
HETATM   14  C   UNL     1       3.369  -3.963   0.204  1.00  0.00           C  
HETATM   15  C   UNL     1       1.099  -1.220  -0.331  1.00  0.00           C  
HETATM   16  C   UNL     1       0.716  -1.987  -1.414  1.00  0.00           C  
HETATM   17  C   UNL     1       1.492  -3.143  -1.410  1.00  0.00           C  
HETATM   18  O   UNL     1       3.617  -5.020  -0.349  1.00  0.00           O  
HETATM   19  C   UNL     1       0.533   0.092   0.042  1.00  0.00           C  
HETATM   20  C   UNL     1       0.791   2.371   0.713  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.359   1.464   0.403  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.687  -0.735  -0.247  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.025  -0.534  -0.115  1.00  0.00           C  
HETATM   24  S   UNL     1       2.035   4.505  -0.418  1.00  0.00           S  
HETATM   25  O   UNL     1       2.837   3.704  -1.275  1.00  0.00           O  
HETATM   26  O   UNL     1       0.828   5.063  -0.920  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.566   0.720  -0.356  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.751  -0.126   0.147  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.853  -1.586   0.255  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.330  -2.810   0.485  1.00  0.00           F  
HETATM   31  F   UNL     1      -7.081   0.076   0.277  1.00  0.00           F  
HETATM   32  H   UNL     1       2.107  -4.070  -3.231  1.00  0.00           H  
HETATM   33  H   UNL     1       1.698  -5.205  -1.922  1.00  0.00           H  
HETATM   34  H   UNL     1       0.404  -4.349  -2.794  1.00  0.00           H  
HETATM   35  H   UNL     1       2.445   1.045   0.365  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.039   3.430   0.985  1.00  0.00           H  
HETATM   37  H   UNL     1       1.122   4.186   1.786  1.00  0.00           H  
HETATM   38  H   UNL     1       2.581   3.199   1.529  1.00  0.00           H  
HETATM   39  H   UNL     1       3.363   6.508  -0.568  1.00  0.00           H  
HETATM   40  H   UNL     1       2.487   6.414   0.978  1.00  0.00           H  
HETATM   41  H   UNL     1       3.945   5.427   0.721  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.347   1.899  -0.414  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.859  -2.195   0.680  1.00  0.00           H  
HETATM   44  H   UNL     1       4.296  -2.116   2.830  1.00  0.00           H  
HETATM   45  H   UNL     1       2.627  -0.640   1.994  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.045  -1.734  -2.136  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.923   1.539  -0.643  1.00  0.00           H  
HETATM   48  H   UNL     1       4.722  -4.176   1.686  1.00  0.00           H  
CONECT    1   17   32   33   34                                       
CONECT    2   20   20   19   35                                       
CONECT    3   20   21   21   36                                       
CONECT    4   19   19   21   22                                       
CONECT    5   24   20   37   38                                       
CONECT    6   24   39   40   41                                       
CONECT    7   27   27   28   42                                       
CONECT    8   29   28   28   43                                       
CONECT    9   14   10   48                                            
CONECT   10    9   11   11   44                                       
CONECT   11   12   10   10   45                                       
CONECT   12   15   13   11                                            
CONECT   13   17   17   14   12                                       
CONECT   14   18   18   13    9                                       
CONECT   15   16   16   19   12                                       
CONECT   16   17   15   15   46                                       
CONECT   17    1   16   13   13                                       
CONECT   18   14   14                                                 
CONECT   19    2   15    4    4                                       
CONECT   20    5    2    2    3                                       
CONECT   21    3    3    4                                            
CONECT   22    4   23                                                 
CONECT   23   22   29   29   27                                       
CONECT   24    6   26   26   25                                       
CONECT   24   25    5                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   23    7    7   47                                       
CONECT   28    8    8    7   31                                       
CONECT   29   30   23   23    8                                       
CONECT   30   29                                                      
CONECT   31   28                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   16                                                      
CONECT   47   27                                                      
CONECT   48    9                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
