COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.825   3.533   1.126  1.00  0.00           C  
HETATM    2  N   UNL     1       2.157   2.386   0.506  1.00  0.00           N  
HETATM    3  O   UNL     1       2.611   0.768   2.074  1.00  0.00           O  
HETATM    4  S   UNL     1       3.746  -2.780  -0.730  1.00  0.00           S  
HETATM    5  C   UNL     1       2.118   1.143   1.031  1.00  0.00           C  
HETATM    6  N   UNL     1       0.982   1.278  -1.024  1.00  0.00           N  
HETATM    7  C   UNL     1       1.326   0.318   0.037  1.00  0.00           C  
HETATM    8  N   UNL     1       1.349   3.566  -1.448  1.00  0.00           N  
HETATM    9  C   UNL     1       1.480   2.428  -0.688  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.911   0.635  -1.688  1.00  0.00           N  
HETATM   11  C   UNL     1       0.077  -0.229   0.680  1.00  0.00           C  
HETATM   12  C   UNL     1       0.166  -0.946   1.859  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.976  -1.452   2.454  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.211  -1.242   1.875  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.306  -0.519   0.687  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.153  -0.008   0.094  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.630  -0.291   0.058  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.793  -0.795   0.648  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.004  -0.555   0.022  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.025   0.171  -1.155  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.735   0.431  -1.129  1.00  0.00           C  
HETATM   22  C   UNL     1       2.171  -0.800  -0.516  1.00  0.00           C  
HETATM   23  C   UNL     1       2.254  -1.071  -1.870  1.00  0.00           C  
HETATM   24  C   UNL     1       3.047  -2.095  -2.191  1.00  0.00           C  
HETATM   25  C   UNL     1       2.897  -1.603   0.264  1.00  0.00           C  
HETATM   26  H   UNL     1       3.859   3.580   0.784  1.00  0.00           H  
HETATM   27  H   UNL     1       2.307   4.450   0.846  1.00  0.00           H  
HETATM   28  H   UNL     1       2.805   3.421   2.211  1.00  0.00           H  
HETATM   29  H   UNL     1       1.746   4.398  -1.148  1.00  0.00           H  
HETATM   30  H   UNL     1       0.858   3.536  -2.284  1.00  0.00           H  
HETATM   31  H   UNL     1       1.130  -1.113   2.316  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.901  -2.012   3.375  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.101  -1.637   2.340  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.222   0.557  -0.824  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.747  -1.359   1.568  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.922  -0.930   0.449  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.968   0.361  -1.645  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.845   0.827  -1.595  1.00  0.00           H  
HETATM   39  H   UNL     1       1.717  -0.498  -2.612  1.00  0.00           H  
HETATM   40  H   UNL     1       3.231  -2.448  -3.195  1.00  0.00           H  
HETATM   41  H   UNL     1       2.954  -1.541   1.340  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    5    9                                            
CONECT    3    5    5                                                 
CONECT    4   24   25                                                 
CONECT    5    2    3    3    7                                       
CONECT    6    7    9    9                                            
CONECT    7    5    6   11   22                                       
CONECT    8    9   29   30                                            
CONECT    9    2    6    6    8                                       
CONECT   10   20   20   21                                            
CONECT   11    7   12   12   16                                       
CONECT   12   11   11   13   31                                       
CONECT   13   12   14   14   32                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   16   17                                       
CONECT   16   11   15   15   34                                       
CONECT   17   15   18   21   21                                       
CONECT   18   17   19   19   35                                       
CONECT   19   18   18   20   36                                       
CONECT   20   10   10   19   37                                       
CONECT   21   10   17   17   38                                       
CONECT   22    7   23   25   25                                       
CONECT   23   22   24   24   39                                       
CONECT   24    4   23   23   40                                       
CONECT   25    4   22   22   41                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
