COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.809   3.673   1.023  1.00  0.00           C  
HETATM    2  C   UNL     1       3.690   2.807   0.505  1.00  0.00           C  
HETATM    3  N   UNL     1       3.182   2.894  -0.669  1.00  0.00           N  
HETATM    4  C   UNL     1       2.188   2.038  -0.957  1.00  0.00           C  
HETATM    5  C   UNL     1       1.897   1.216   0.079  1.00  0.00           C  
HETATM    6  S   UNL     1       2.924   1.569   1.397  1.00  0.00           S  
HETATM    7  C   UNL     1       0.772   0.316  -0.383  1.00  0.00           C  
HETATM    8  N   UNL     1       0.482   0.726  -1.761  1.00  0.00           N  
HETATM    9  C   UNL     1       1.280   1.696  -2.083  1.00  0.00           C  
HETATM   10  N   UNL     1       1.285   2.327  -3.308  1.00  0.00           N  
HETATM   11  C   UNL     1       1.211  -1.125  -0.349  1.00  0.00           C  
HETATM   12  C   UNL     1       1.815  -1.689  -1.457  1.00  0.00           C  
HETATM   13  C   UNL     1       2.218  -3.010  -1.429  1.00  0.00           C  
HETATM   14  C   UNL     1       2.016  -3.771  -0.287  1.00  0.00           C  
HETATM   15  C   UNL     1       1.409  -3.203   0.824  1.00  0.00           C  
HETATM   16  C   UNL     1       1.013  -1.880   0.793  1.00  0.00           C  
HETATM   17  O   UNL     1       2.410  -5.071  -0.256  1.00  0.00           O  
HETATM   18  C   UNL     1       2.171  -5.794   0.953  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.443   0.513   0.486  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.292   0.880   1.812  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.403   1.062   2.615  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.669   0.879   2.098  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.827   0.509   0.764  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.704   0.332  -0.043  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.186   0.310   0.202  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.323   0.488   0.994  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.515   0.300   0.454  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.639  -0.049  -0.812  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.592  -0.227  -1.593  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.364  -0.055  -1.135  1.00  0.00           C  
HETATM   31  H   UNL     1       4.392   4.562   1.496  1.00  0.00           H  
HETATM   32  H   UNL     1       5.393   3.113   1.754  1.00  0.00           H  
HETATM   33  H   UNL     1       5.453   3.970   0.195  1.00  0.00           H  
HETATM   34  H   UNL     1       1.911   3.048  -3.480  1.00  0.00           H  
HETATM   35  H   UNL     1       0.663   2.051  -3.999  1.00  0.00           H  
HETATM   36  H   UNL     1       1.972  -1.096  -2.346  1.00  0.00           H  
HETATM   37  H   UNL     1       0.545  -1.436   1.659  1.00  0.00           H  
HETATM   38  H   UNL     1       2.689  -3.450  -2.295  1.00  0.00           H  
HETATM   39  H   UNL     1       1.251  -3.793   1.715  1.00  0.00           H  
HETATM   40  H   UNL     1       2.533  -6.816   0.843  1.00  0.00           H  
HETATM   41  H   UNL     1       2.695  -5.309   1.776  1.00  0.00           H  
HETATM   42  H   UNL     1       1.101  -5.808   1.162  1.00  0.00           H  
HETATM   43  H   UNL     1       0.697   1.024   2.221  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.821   0.050  -1.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.279   1.349   3.649  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.536   1.021   2.726  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.230   0.773   2.031  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.512  -0.198  -1.782  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.628  -0.193  -1.220  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6    7                                       
CONECT    6    2    5                                                 
CONECT    7    5    8   11   19                                       
CONECT    8    7    9    9                                            
CONECT    9    4    8    8   10                                       
CONECT   10    9   34   35                                            
CONECT   11    7   12   16   16                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   17                                       
CONECT   15   14   14   16   39                                       
CONECT   16   11   11   15   37                                       
CONECT   17   14   18                                                 
CONECT   18   17   40   41   42                                       
CONECT   19    7   20   24   24                                       
CONECT   20   19   21   21   43                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   24   25                                       
CONECT   24   19   19   23   44                                       
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27   47                                       
CONECT   27   26   28   28                                            
CONECT   28   27   27   29   49                                       
CONECT   29   28   30   30                                            
CONECT   30   25   29   29   48                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   16                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   26                                                      
CONECT   48   30                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
