COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.292  -1.352   0.535  1.00  0.00           C  
HETATM    2  C   UNL     1       0.180  -1.191   1.911  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.203  -2.233  -0.549  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.106  -3.753  -0.405  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.779   4.032   0.132  1.00  0.00           C  
HETATM    6  C   UNL     1       7.235   1.218   0.262  1.00  0.00           C  
HETATM    7  C   UNL     1       5.946   0.665  -0.184  1.00  0.00           C  
HETATM    8  C   UNL     1       4.896   0.392   0.619  1.00  0.00           C  
HETATM    9  C   UNL     1       3.800  -0.123  -0.058  1.00  0.00           C  
HETATM   10  C   UNL     1       2.536  -0.495   0.625  1.00  0.00           C  
HETATM   11  C   UNL     1       2.413  -0.331   2.004  1.00  0.00           C  
HETATM   12  C   UNL     1       1.238  -0.682   2.639  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.047  -1.586   0.169  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.694  -0.446  -0.061  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.738   0.419  -0.571  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.006   1.771  -0.658  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.232   2.264  -0.236  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.189   1.398   0.273  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.920   0.046   0.362  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.157  -1.857  -2.032  1.00  0.00           C  
HETATM   21  C   UNL     1       1.470  -1.007  -0.109  1.00  0.00           C  
HETATM   22  C   UNL     1       3.977  -0.258  -1.388  1.00  0.00           C  
HETATM   23  N   UNL     1       7.429   1.484   1.527  1.00  0.00           N  
HETATM   24  N   UNL     1       8.238   1.456  -0.655  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.782  -1.868  -0.199  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.433  -1.778   0.020  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.496   3.595  -0.321  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.256  -0.811   1.079  1.00  0.00           O  
HETATM   29  S   UNL     1       5.535   0.265  -1.845  1.00  0.00           S  
HETATM   30  H   UNL     1      -0.737  -1.464   2.412  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.893  -4.225  -0.994  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.133  -4.091  -0.762  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.224  -4.027   0.643  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.859   5.113   0.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.557   3.542  -0.453  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.899   3.776   1.184  1.00  0.00           H  
HETATM   37  H   UNL     1       4.908   0.558   1.686  1.00  0.00           H  
HETATM   38  H   UNL     1       3.238   0.067   2.576  1.00  0.00           H  
HETATM   39  H   UNL     1       1.146  -0.558   3.708  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.783   0.036  -0.899  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.261   2.445  -1.054  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.144   1.782   0.602  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.665  -0.628   0.758  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.903  -2.437  -2.577  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.370  -0.794  -2.144  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.166  -2.074  -2.431  1.00  0.00           H  
HETATM   47  H   UNL     1       1.561  -1.136  -1.178  1.00  0.00           H  
HETATM   48  H   UNL     1       3.234  -0.642  -2.070  1.00  0.00           H  
HETATM   49  H   UNL     1       8.278   1.849   1.821  1.00  0.00           H  
HETATM   50  H   UNL     1       8.094   1.259  -1.593  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.616  -2.428  -0.973  1.00  0.00           H  
HETATM   52  H   UNL     1       9.088   1.821  -0.360  1.00  0.00           H  
CONECT    1   21   21    2   25                                       
CONECT    2   12   12    1   30                                       
CONECT    3   13   20    4   26                                       
CONECT    4    3   31   32   33                                       
CONECT    5   27   34   35   36                                       
CONECT    6   23   23    7   24                                       
CONECT    7   29    6    8    8                                       
CONECT    8    7    7    9   37                                       
CONECT    9   22   22    8   10                                       
CONECT   10    9   11   11   21                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11    2    2   39                                       
CONECT   13   25   28   28    3                                       
CONECT   14   26   15   15   19                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   17   17   41                                       
CONECT   17   16   16   18   27                                       
CONECT   18   19   19   17   42                                       
CONECT   19   14   18   18   43                                       
CONECT   20    3   44   45   46                                       
CONECT   21   10    1    1   47                                       
CONECT   22   29    9    9   48                                       
CONECT   23    6    6   49                                            
CONECT   24    6   50   52                                            
CONECT   25    1   13   51                                            
CONECT   26    3   14                                                 
CONECT   27   17    5                                                 
CONECT   28   13   13                                                 
CONECT   29   22    7                                                 
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
