COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.473  -1.787   0.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.657   0.096  -0.698  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.625   0.910  -1.436  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.282   0.738  -0.775  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.976   1.294  -0.598  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.615   0.121   0.051  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.403   0.043   0.710  1.00  0.00           C  
HETATM    8  C   UNL     1       0.449   1.132   0.725  1.00  0.00           C  
HETATM    9  C   UNL     1       1.770   1.043   1.445  1.00  0.00           C  
HETATM   10  C   UNL     1       2.844   0.538   0.480  1.00  0.00           C  
HETATM   11  C   UNL     1       5.189  -0.032   0.284  1.00  0.00           C  
HETATM   12  C   UNL     1       6.512  -0.108   1.049  1.00  0.00           C  
HETATM   13  C   UNL     1       7.597  -0.603   0.128  1.00  0.00           C  
HETATM   14  C   UNL     1       7.918  -1.948   0.097  1.00  0.00           C  
HETATM   15  C   UNL     1       8.913  -2.402  -0.747  1.00  0.00           C  
HETATM   16  C   UNL     1       9.589  -1.512  -1.561  1.00  0.00           C  
HETATM   17  C   UNL     1       9.269  -0.167  -1.530  1.00  0.00           C  
HETATM   18  C   UNL     1       8.269   0.286  -0.690  1.00  0.00           C  
HETATM   19  C   UNL     1       0.092   2.301   0.079  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.115   2.384  -0.587  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.779   0.626  -0.209  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.501  -3.135   0.499  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.517  -1.198  -0.472  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.202   1.377  -1.267  1.00  0.00           N  
HETATM   25  N   UNL     1       4.132   0.451   1.182  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.173   0.024   0.199  1.00  0.00           O  
HETATM   27  O   UNL     1       6.857   1.190   1.536  1.00  0.00           O  
HETATM   28  S   UNL     1      -8.696  -0.660   0.571  1.00  0.00           S  
HETATM   29  H   UNL     1      -5.568   0.572  -2.470  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.909   1.962  -1.413  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.280  -0.729   0.041  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.122  -0.869   1.215  1.00  0.00           H  
HETATM   33  H   UNL     1       2.049   2.029   1.815  1.00  0.00           H  
HETATM   34  H   UNL     1       1.681   0.352   2.283  1.00  0.00           H  
HETATM   35  H   UNL     1       2.565  -0.449   0.109  1.00  0.00           H  
HETATM   36  H   UNL     1       2.933   1.229  -0.359  1.00  0.00           H  
HETATM   37  H   UNL     1       5.295   0.655  -0.556  1.00  0.00           H  
HETATM   38  H   UNL     1       4.927  -1.022  -0.088  1.00  0.00           H  
HETATM   39  H   UNL     1       6.407  -0.795   1.889  1.00  0.00           H  
HETATM   40  H   UNL     1       7.390  -2.643   0.733  1.00  0.00           H  
HETATM   41  H   UNL     1       9.164  -3.452  -0.771  1.00  0.00           H  
HETATM   42  H   UNL     1      10.367  -1.867  -2.220  1.00  0.00           H  
HETATM   43  H   UNL     1       9.793   0.527  -2.169  1.00  0.00           H  
HETATM   44  H   UNL     1       8.018   1.336  -0.666  1.00  0.00           H  
HETATM   45  H   UNL     1       0.760   3.150   0.092  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.393   3.298  -1.091  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.073   1.662  -0.280  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.257  -3.501   0.985  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.766  -3.711   0.238  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.275   1.894  -2.084  1.00  0.00           H  
HETATM   51  H   UNL     1       4.058  -0.133   2.001  1.00  0.00           H  
HETATM   52  H   UNL     1       6.967   1.854   0.842  1.00  0.00           H  
CONECT    1   23   23   22   28                                       
CONECT    2    3   23   21   21                                       
CONECT    3    4    2   29   30                                       
CONECT    4   24   26   26    3                                       
CONECT    5    6    6   20   24                                       
CONECT    6    7    5    5   31                                       
CONECT    7    8    8    6   32                                       
CONECT    8    9    7    7   19                                       
CONECT    9   10    8   33   34                                       
CONECT   10   25    9   35   36                                       
CONECT   11   12   25   37   38                                       
CONECT   12   27   13   11   39                                       
CONECT   13   18   12   14   14                                       
CONECT   14   13   13   15   40                                       
CONECT   15   16   16   14   41                                       
CONECT   16   17   15   15   42                                       
CONECT   17   18   18   16   43                                       
CONECT   18   17   17   13   44                                       
CONECT   19    8   20   20   45                                       
CONECT   20   19   19    5   46                                       
CONECT   21    2    2   28   47                                       
CONECT   22    1   48   49                                            
CONECT   23    2    1    1                                            
CONECT   24    5    4   50                                            
CONECT   25   11   10   51                                            
CONECT   26    4    4                                                 
CONECT   27   12   52                                                 
CONECT   28    1   21                                                 
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
