COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.532  -1.416   0.402  1.00  0.00           C  
HETATM    2  C   UNL     1       3.914  -0.213   0.031  1.00  0.00           C  
HETATM    3  C   UNL     1       4.635   0.742  -0.712  1.00  0.00           C  
HETATM    4  C   UNL     1       2.574   1.543  -0.347  1.00  0.00           C  
HETATM    5  C   UNL     1       1.408   2.438  -0.363  1.00  0.00           C  
HETATM    6  N   UNL     1       0.230   2.021   0.143  1.00  0.00           N  
HETATM    7  C   UNL     1       4.142   3.028  -1.668  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.984   3.870   1.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.400   1.501  -0.702  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.463   0.431   0.170  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.391   0.149   0.995  1.00  0.00           C  
HETATM   12  C   UNL     1       5.838  -1.652   0.036  1.00  0.00           C  
HETATM   13  C   UNL     1       7.973  -0.986  -1.093  1.00  0.00           C  
HETATM   14  CA  UNL     1      -0.958   2.869   0.028  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.195   2.010   0.080  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.266   2.290  -0.749  1.00  0.00           C  
HETATM   17  C   UNL     1       6.544  -0.710  -0.702  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.256   0.937   0.948  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.605  -1.879  -0.993  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.787  -2.813  -1.034  1.00  0.00           C  
HETATM   21  C   UNL     1       5.954   0.479  -1.070  1.00  0.00           C  
HETATM   22  C   UNL     1       2.620   0.320   0.244  1.00  0.00           C  
HETATM   23  N   UNL     1       3.796   1.809  -0.933  1.00  0.00           N  
HETATM   24  O   UNL     1       1.506   3.557  -0.831  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.139   3.168   2.420  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.908  -1.112   1.545  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.952   0.287  -0.208  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.784  -3.862  -1.872  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.737  -2.618  -0.313  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.909  -0.574   0.230  1.00  0.00           S  
HETATM   31 CL   UNL     1       3.657  -2.598   1.324  1.00  0.00          Cl  
HETATM   32 CL   UNL     1       6.608  -3.137   0.501  1.00  0.00          Cl  
HETATM   33  H   UNL     1       0.170   1.158   0.583  1.00  0.00           H  
HETATM   34  H   UNL     1       4.614   3.739  -0.991  1.00  0.00           H  
HETATM   35  H   UNL     1       4.833   2.782  -2.475  1.00  0.00           H  
HETATM   36  H   UNL     1       3.238   3.470  -2.086  1.00  0.00           H  
HETATM   37  H1  UNL     1      -0.049   4.431   1.201  1.00  0.00           H  
HETATM   38  H2  UNL     1      -1.819   4.559   1.052  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.237   1.720  -1.350  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.439  -0.688   1.677  1.00  0.00           H  
HETATM   41  H   UNL     1       7.994  -1.492  -2.058  1.00  0.00           H  
HETATM   42  H   UNL     1       8.519  -0.045  -1.164  1.00  0.00           H  
HETATM   43  H   UNL     1       8.439  -1.620  -0.339  1.00  0.00           H  
HETATM   44  HA  UNL     1      -0.930   3.409  -0.918  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.215   3.123  -1.434  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.418   0.716   1.593  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.711  -2.436  -0.714  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.462  -1.430  -1.975  1.00  0.00           H  
HETATM   49  H   UNL     1       6.514   1.206  -1.640  1.00  0.00           H  
HETATM   50  H   UNL     1       1.815  -0.158   0.782  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.163   3.741   3.198  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.564  -4.433  -1.863  1.00  0.00           H  
CONECT    1    2    2   12   31                                       
CONECT    2    3   22    1    1                                       
CONECT    3   23   21   21    2                                       
CONECT    4    5   23   22   22                                       
CONECT    5   24   24    6    4                                       
CONECT    6    5   14   33                                            
CONECT    7   23   34   35   36                                       
CONECT    8   14   25   37   38                                       
CONECT    9   10   16   16   39                                       
CONECT   10   30   11   11    9                                       
CONECT   11   10   10   18   40                                       
CONECT   12   17   17    1   32                                       
CONECT   13   17   41   42   43                                       
CONECT   14   15    6    8   44                                       
CONECT   15   18   18   16   14                                       
CONECT   16    9    9   15   45                                       
CONECT   17   21   13   12   12                                       
CONECT   18   11   15   15   46                                       
CONECT   19   30   20   47   48                                       
CONECT   20   19   29   29   28                                       
CONECT   21    3    3   17   49                                       
CONECT   22    4    4    2   50                                       
CONECT   23    7    4    3                                            
CONECT   24    5    5                                                 
CONECT   25    8   51                                                 
CONECT   26   30   30                                                 
CONECT   27   30   30                                                 
CONECT   28   20   52                                                 
CONECT   29   20   20                                                 
CONECT   30   27   27   19   26                                       
CONECT   30   26   10                                                 
CONECT   31    1                                                      
CONECT   32   12                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
