COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.873  -2.340   0.235  1.00  0.00           O  
HETATM    2  C   UNL     1       2.127  -1.174  -0.003  1.00  0.00           C  
HETATM    3  C   UNL     1       3.520  -0.725  -0.063  1.00  0.00           C  
HETATM    4  S   UNL     1       4.049   0.920  -0.386  1.00  0.00           S  
HETATM    5  C   UNL     1       5.689   0.469  -0.256  1.00  0.00           C  
HETATM    6  C   UNL     1       5.806  -0.837   0.013  1.00  0.00           C  
HETATM    7  C   UNL     1       4.617  -1.517   0.131  1.00  0.00           C  
HETATM    8  N   UNL     1       1.126  -0.296  -0.218  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.191  -0.722  -0.167  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.680  -2.319   0.162  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.383  -1.916   0.022  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.542  -0.618  -0.263  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.900   0.040  -0.448  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.948  -1.050  -0.684  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.822  -2.114   0.411  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.525  -2.899   0.197  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.276   0.084  -0.369  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.172   1.516  -0.666  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.098   1.894  -1.821  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.158   2.414   0.339  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.054   3.844   0.042  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.456   4.434  -0.124  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.247   1.959   1.729  1.00  0.00           C  
HETATM   24  C   UNL     1       0.160   1.708   2.274  1.00  0.00           C  
HETATM   25  H   UNL     1       6.522   1.146  -0.376  1.00  0.00           H  
HETATM   26  H   UNL     1       6.765  -1.320   0.134  1.00  0.00           H  
HETATM   27  H   UNL     1       4.556  -2.573   0.350  1.00  0.00           H  
HETATM   28  H   UNL     1       1.329   0.633  -0.407  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.157   0.606   0.448  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.868   0.709  -1.308  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.945  -0.610  -0.651  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.784  -1.509  -1.658  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.799  -1.631   1.388  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.672  -2.793   0.358  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.615  -3.517  -0.696  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.333  -3.531   1.064  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.542   4.349   0.861  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.490   3.984  -0.880  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.020   4.295   0.799  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.378   5.499  -0.345  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.968   3.930  -0.943  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.740   2.723   2.330  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.823   1.035   1.772  1.00  0.00           H  
HETATM   44  H   UNL     1       0.653   0.944   1.673  1.00  0.00           H  
HETATM   45  H   UNL     1       0.737   2.633   2.231  1.00  0.00           H  
HETATM   46  H   UNL     1       0.094   1.370   3.309  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    7    7    4                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    3    3    6   27                                       
CONECT    8    2    9   28                                            
CONECT    9    8   17   17   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   17   13                                       
CONECT   13   12   14   29   30                                       
CONECT   14   13   15   31   32                                       
CONECT   15   14   16   33   34                                       
CONECT   16   11   15   35   36                                       
CONECT   17    9    9   12   18                                       
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   23   21                                            
CONECT   21   20   22   37   38                                       
CONECT   22   21   39   40   41                                       
CONECT   23   20   24   42   43                                       
CONECT   24   23   44   45   46                                       
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
