COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.341  -0.116  -1.324  1.00  0.00           C  
HETATM    2  C   UNL     1       2.093   1.692   1.871  1.00  0.00           C  
HETATM    3  C   UNL     1       1.289   1.740   2.995  1.00  0.00           C  
HETATM    4  C   UNL     1       0.009   1.218   2.951  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.470   0.652   1.788  1.00  0.00           C  
HETATM    6  C   UNL     1       0.333   0.602   0.650  1.00  0.00           C  
HETATM    7  C   UNL     1       1.621   1.124   0.706  1.00  0.00           C  
HETATM    8  N   UNL     1       0.053   0.095  -0.626  1.00  0.00           N  
HETATM    9  C   UNL     1       2.260   0.918  -0.647  1.00  0.00           C  
HETATM   10  C   UNL     1       1.851  -1.515  -1.097  1.00  0.00           C  
HETATM   11  C   UNL     1       1.695  -2.115   0.139  1.00  0.00           C  
HETATM   12  C   UNL     1       2.163  -3.400   0.348  1.00  0.00           C  
HETATM   13  C   UNL     1       2.787  -4.084  -0.680  1.00  0.00           C  
HETATM   14  C   UNL     1       2.942  -3.484  -1.915  1.00  0.00           C  
HETATM   15  C   UNL     1       2.470  -2.201  -2.125  1.00  0.00           C  
HETATM   16 CL   UNL     1       1.968  -4.153   1.900  1.00  0.00          Cl  
HETATM   17  C   UNL     1       2.272   2.218  -1.442  1.00  0.00           C  
HETATM   18  C   UNL     1       3.670   0.360  -0.500  1.00  0.00           C  
HETATM   19  C   UNL     1       4.571   1.420   0.141  1.00  0.00           C  
HETATM   20  C   UNL     1       3.220   3.216  -0.770  1.00  0.00           C  
HETATM   21  N   UNL     1       4.565   2.633  -0.687  1.00  0.00           N  
HETATM   22  C   UNL     1       5.536   3.616  -0.188  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.811   1.013  -1.380  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.192   1.013  -0.777  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.594   1.839   0.196  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.897   1.671   0.601  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.550   0.678  -0.074  1.00  0.00           C  
HETATM   28  S   UNL     1      -3.453  -0.034  -1.250  1.00  0.00           S  
HETATM   29  C   UNL     1      -5.942   0.275   0.143  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.477  -0.722  -0.589  1.00  0.00           N  
HETATM   31  O   UNL     1      -6.615   0.841   0.984  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.822  -1.112  -0.379  1.00  0.00           O  
HETATM   33  H   UNL     1       1.243   0.093  -2.390  1.00  0.00           H  
HETATM   34  H   UNL     1       3.092   2.100   1.905  1.00  0.00           H  
HETATM   35  H   UNL     1       1.661   2.185   3.907  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.617   1.253   3.830  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.470   0.246   1.760  1.00  0.00           H  
HETATM   38  H   UNL     1       1.209  -1.580   0.941  1.00  0.00           H  
HETATM   39  H   UNL     1       3.152  -5.087  -0.518  1.00  0.00           H  
HETATM   40  H   UNL     1       3.429  -4.017  -2.718  1.00  0.00           H  
HETATM   41  H   UNL     1       2.587  -1.734  -3.092  1.00  0.00           H  
HETATM   42  H   UNL     1       2.615   2.020  -2.458  1.00  0.00           H  
HETATM   43  H   UNL     1       1.266   2.636  -1.472  1.00  0.00           H  
HETATM   44  H   UNL     1       3.646  -0.527   0.132  1.00  0.00           H  
HETATM   45  H   UNL     1       4.061   0.097  -1.483  1.00  0.00           H  
HETATM   46  H   UNL     1       4.199   1.658   1.138  1.00  0.00           H  
HETATM   47  H   UNL     1       5.588   1.035   0.215  1.00  0.00           H  
HETATM   48  H   UNL     1       3.257   4.134  -1.356  1.00  0.00           H  
HETATM   49  H   UNL     1       2.859   3.440   0.234  1.00  0.00           H  
HETATM   50  H   UNL     1       5.237   3.948   0.807  1.00  0.00           H  
HETATM   51  H   UNL     1       6.523   3.158  -0.137  1.00  0.00           H  
HETATM   52  H   UNL     1       5.566   4.471  -0.863  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.396   2.020  -1.337  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.868   0.688  -2.419  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.943   2.582   0.632  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.359   2.264   1.377  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.940  -1.173  -1.259  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.116  -1.835  -0.950  1.00  0.00           H  
CONECT    1   10    8    9   33                                       
CONECT    2    7    3    3   34                                       
CONECT    3    2    2    4   35                                       
CONECT    4    5    5    3   36                                       
CONECT    5    6    4    4   37                                       
CONECT    6    8    7    7    5                                       
CONECT    7    9    6    6    2                                       
CONECT    8    1   23    6                                            
CONECT    9   17    1    7   18                                       
CONECT   10   11    1   15   15                                       
CONECT   11   12   12   10   38                                       
CONECT   12   16   11   11   13                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   40                                       
CONECT   15   10   10   14   41                                       
CONECT   16   12                                                      
CONECT   17   20    9   42   43                                       
CONECT   18    9   19   44   45                                       
CONECT   19   21   18   46   47                                       
CONECT   20   17   21   48   49                                       
CONECT   21   20   22   19                                            
CONECT   22   21   50   51   52                                       
CONECT   23   24    8   53   54                                       
CONECT   24   28   25   25   23                                       
CONECT   25   26   24   24   55                                       
CONECT   26   27   27   25   56                                       
CONECT   27   29   26   26   28                                       
CONECT   28   27   24                                                 
CONECT   29   30   31   31   27                                       
CONECT   30   32   29   57                                            
CONECT   31   29   29                                                 
CONECT   32   30   58                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
