COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.076  -1.018   2.319  1.00  0.00           C  
HETATM    2  S   UNL     1      -4.970  -0.630   0.789  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.057  -1.526   0.606  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.148   0.774   0.658  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.841  -1.047  -0.498  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.122  -2.076  -1.382  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.213  -2.375  -2.380  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.089  -1.697  -2.499  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.782  -0.711  -1.679  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.647  -0.347  -0.655  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.319   0.699   0.212  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.053   1.282   0.154  1.00  0.00           C  
HETATM   13  C   UNL     1       0.075   0.469   0.009  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.930   2.653   0.236  1.00  0.00           C  
HETATM   15  C   UNL     1       0.340   3.248   0.178  1.00  0.00           C  
HETATM   16  N   UNL     1       0.481   4.576   0.256  1.00  0.00           N  
HETATM   17  C   UNL     1       1.682   5.108   0.200  1.00  0.00           C  
HETATM   18  C   UNL     1       2.812   4.302   0.060  1.00  0.00           C  
HETATM   19  N   UNL     1       2.697   2.995  -0.018  1.00  0.00           N  
HETATM   20  C   UNL     1       1.490   2.430   0.037  1.00  0.00           C  
HETATM   21  C   UNL     1       1.338   1.024  -0.051  1.00  0.00           C  
HETATM   22  C   UNL     1       2.528   0.154  -0.205  1.00  0.00           C  
HETATM   23  C   UNL     1       2.700  -0.943   0.632  1.00  0.00           C  
HETATM   24  C   UNL     1       3.821  -1.753   0.477  1.00  0.00           C  
HETATM   25  C   UNL     1       4.317  -2.956   1.157  1.00  0.00           C  
HETATM   26  C   UNL     1       3.663  -3.681   2.305  1.00  0.00           C  
HETATM   27  C   UNL     1       5.467  -3.280   0.551  1.00  0.00           C  
HETATM   28  O   UNL     1       5.736  -2.404  -0.433  1.00  0.00           O  
HETATM   29  C   UNL     1       4.773  -1.464  -0.517  1.00  0.00           C  
HETATM   30  C   UNL     1       4.587  -0.363  -1.345  1.00  0.00           C  
HETATM   31  C   UNL     1       3.475   0.434  -1.196  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.707  -0.788   3.177  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.819  -2.078   2.331  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.164  -0.423   2.368  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.040  -2.638  -1.292  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.427  -3.176  -3.072  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.852  -0.178  -1.807  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.972   1.020   0.854  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.042  -0.602  -0.058  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.811   3.269   0.343  1.00  0.00           H  
HETATM   41  H   UNL     1       1.795   6.180   0.263  1.00  0.00           H  
HETATM   42  H   UNL     1       3.790   4.757   0.015  1.00  0.00           H  
HETATM   43  H   UNL     1       1.970  -1.164   1.396  1.00  0.00           H  
HETATM   44  H   UNL     1       2.989  -4.445   1.916  1.00  0.00           H  
HETATM   45  H   UNL     1       4.430  -4.153   2.921  1.00  0.00           H  
HETATM   46  H   UNL     1       3.099  -2.971   2.909  1.00  0.00           H  
HETATM   47  H   UNL     1       6.088  -4.123   0.814  1.00  0.00           H  
HETATM   48  H   UNL     1       5.313  -0.135  -2.111  1.00  0.00           H  
HETATM   49  H   UNL     1       3.335   1.285  -1.846  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    5    3    3    4                                       
CONECT    2    4    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    6    6   10    2                                       
CONECT    6    7    5    5   35                                       
CONECT    7    8    8    6   36                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   10   37                                       
CONECT   10    9    9    5   11                                       
CONECT   11   10   12   38                                            
CONECT   12   11   14   14   13                                       
CONECT   13   12   21   21   39                                       
CONECT   14   12   12   15   40                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   20   20   18                                            
CONECT   20   15   21   19   19                                       
CONECT   21   13   13   20   22                                       
CONECT   22   21   31   31   23                                       
CONECT   23   22   24   24   43                                       
CONECT   24   23   23   29   25                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25   44   45   46                                       
CONECT   27   28   25   25   47                                       
CONECT   28   29   27                                                 
CONECT   29   30   30   24   28                                       
CONECT   30   31   29   29   48                                       
CONECT   31   22   22   30   49                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
