COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.115  -2.665   1.093  1.00  0.00           O  
HETATM    2  S   UNL     1       1.729  -1.298   1.137  1.00  0.00           S  
HETATM    3  O   UNL     1       1.346  -0.638   2.336  1.00  0.00           O  
HETATM    4  N   UNL     1       2.997  -0.435   0.513  1.00  0.00           N  
HETATM    5  C   UNL     1       2.890   1.019   0.363  1.00  0.00           C  
HETATM    6  C   UNL     1       4.250   1.679   0.648  1.00  0.00           C  
HETATM    7  C   UNL     1       4.663   2.414  -0.644  1.00  0.00           C  
HETATM    8  C   UNL     1       3.324   2.670  -1.379  1.00  0.00           C  
HETATM    9  C   UNL     1       2.523   1.375  -1.092  1.00  0.00           C  
HETATM   10  C   UNL     1       0.379  -1.125   0.019  1.00  0.00           C  
HETATM   11  C   UNL     1       0.465  -1.656  -1.255  1.00  0.00           C  
HETATM   12  C   UNL     1       1.714  -2.382  -1.683  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.591  -1.524  -2.138  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.738  -0.860  -1.751  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.765  -0.465   0.418  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.830  -0.323  -0.469  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.061   0.393  -0.048  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.373  -0.134   0.113  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.809  -1.559  -0.112  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.199   1.711   0.282  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.117   2.759   0.292  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.491   1.886   0.593  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.120   0.859   0.495  1.00  0.00           N  
HETATM   24  H   UNL     1       3.810  -0.891   0.246  1.00  0.00           H  
HETATM   25  H   UNL     1       2.135   1.409   1.046  1.00  0.00           H  
HETATM   26  H   UNL     1       4.156   2.391   1.468  1.00  0.00           H  
HETATM   27  H   UNL     1       4.990   0.918   0.897  1.00  0.00           H  
HETATM   28  H   UNL     1       2.831   0.578  -1.769  1.00  0.00           H  
HETATM   29  H   UNL     1       1.453   1.561  -1.181  1.00  0.00           H  
HETATM   30  H   UNL     1       5.154   3.358  -0.407  1.00  0.00           H  
HETATM   31  H   UNL     1       5.316   1.785  -1.249  1.00  0.00           H  
HETATM   32  H   UNL     1       2.815   3.539  -0.963  1.00  0.00           H  
HETATM   33  H   UNL     1       3.488   2.792  -2.450  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.834  -0.054   1.415  1.00  0.00           H  
HETATM   35  H   UNL     1       1.662  -3.420  -1.354  1.00  0.00           H  
HETATM   36  H   UNL     1       1.800  -2.349  -2.769  1.00  0.00           H  
HETATM   37  H   UNL     1       2.585  -1.903  -1.235  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.519  -1.941  -3.132  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.562  -0.756  -2.442  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.705  -2.122   0.816  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.851  -1.574  -0.431  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.186  -2.012  -0.883  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.063   3.236  -0.686  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.345   3.509   1.050  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.160   2.291   0.522  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   10                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   24                                            
CONECT    5    4    6    9   25                                       
CONECT    6    5    7   26   27                                       
CONECT    7    6    8   30   31                                       
CONECT    8    7    9   32   33                                       
CONECT    9    5    8   28   29                                       
CONECT   10    2   11   15   15                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   35   36   37                                       
CONECT   13   11   11   14   38                                       
CONECT   14   13   16   16   39                                       
CONECT   15   10   10   16   34                                       
CONECT   16   14   14   15   17                                       
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   23   23                                       
CONECT   19   18   40   41   42                                       
CONECT   20   17   17   21   22                                       
CONECT   21   20   43   44   45                                       
CONECT   22   20   23                                                 
CONECT   23   18   18   22                                            
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   15                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
