COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.370  -0.855  -5.954  1.00  0.00           O  
HETATM    2  C   UNL     1       3.036   0.364  -5.288  1.00  0.00           C  
HETATM    3  C   UNL     1       1.538   0.511  -5.229  1.00  0.00           C  
HETATM    4  S   UNL     1       0.473   1.269  -6.373  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.057   0.972  -5.501  1.00  0.00           C  
HETATM    6  N   UNL     1       0.709   0.104  -4.299  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.594   0.308  -4.397  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.524  -0.162  -3.341  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.171  -0.050  -1.999  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.756  -0.712  -3.690  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.621  -1.150  -2.706  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.269  -1.045  -1.375  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.042  -0.497  -1.017  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.689  -0.393   0.330  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.367  -0.516   0.710  1.00  0.00           C  
HETATM   16  N   UNL     1       0.566  -0.842  -0.173  1.00  0.00           N  
HETATM   17  C   UNL     1       1.837  -0.964   0.176  1.00  0.00           C  
HETATM   18  C   UNL     1       0.026  -0.298   2.051  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.894   0.049   3.047  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.463   0.243   4.329  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.359   0.580   5.295  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.639   0.651   4.665  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.698   1.028   5.703  1.00  0.00           C  
HETATM   24  C   UNL     1       1.398  -0.440   2.376  1.00  0.00           C  
HETATM   25  N   UNL     1       2.260  -0.773   1.403  1.00  0.00           N  
HETATM   26  C   UNL     1       1.818  -0.230   3.695  1.00  0.00           C  
HETATM   27  C   UNL     1       0.892   0.109   4.656  1.00  0.00           C  
HETATM   28  O   UNL     1       1.297   0.313   5.937  1.00  0.00           O  
HETATM   29  C   UNL     1       2.710   0.102   5.962  1.00  0.00           C  
HETATM   30  C   UNL     1       3.233   0.317   7.384  1.00  0.00           C  
HETATM   31  H   UNL     1       4.335  -0.909  -5.970  1.00  0.00           H  
HETATM   32  H   UNL     1       3.462   1.205  -5.836  1.00  0.00           H  
HETATM   33  H   UNL     1       3.440   0.348  -4.276  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.068   1.241  -5.771  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.217   0.375  -1.724  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.035  -0.796  -4.730  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.575  -1.577  -2.979  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.948  -1.389  -0.609  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.373  -0.233   1.000  1.00  0.00           H  
HETATM   40  H   UNL     1       2.558  -1.231  -0.582  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.940   0.159   2.803  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.616   1.406   3.879  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.885  -0.317   4.230  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.675   1.083   5.222  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.722   0.273   6.488  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.452   1.997   6.137  1.00  0.00           H  
HETATM   47  H   UNL     1       2.861  -0.335   3.957  1.00  0.00           H  
HETATM   48  H   UNL     1       3.195   0.807   5.287  1.00  0.00           H  
HETATM   49  H   UNL     1       2.931  -0.916   5.644  1.00  0.00           H  
HETATM   50  H   UNL     1       4.311   0.156   7.403  1.00  0.00           H  
HETATM   51  H   UNL     1       3.012   1.335   7.703  1.00  0.00           H  
HETATM   52  H   UNL     1       2.748  -0.388   8.060  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3   32   33                                       
CONECT    3    2    4    6    6                                       
CONECT    4    3    5                                                 
CONECT    5    4    7    7   34                                       
CONECT    6    3    3    7                                            
CONECT    7    5    5    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   13   35                                       
CONECT   10    8   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   13   13   38                                       
CONECT   13    9   12   12   14                                       
CONECT   14   13   15   39                                            
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17                                            
CONECT   17   16   25   25   40                                       
CONECT   18   15   19   19   24                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   27   27                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   42   43                                       
CONECT   23   22   44   45   46                                       
CONECT   24   18   25   26   26                                       
CONECT   25   17   17   24                                            
CONECT   26   24   24   27   47                                       
CONECT   27   20   20   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   48   49                                       
CONECT   30   29   50   51   52                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
