COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.127   4.285  -0.204  1.00  0.00           C  
HETATM    2  C   UNL     1       2.846   2.986   0.166  1.00  0.00           C  
HETATM    3  C   UNL     1       4.021   0.105   0.156  1.00  0.00           C  
HETATM    4  C   UNL     1       4.263  -1.278  -0.455  1.00  0.00           C  
HETATM    5  C   UNL     1       3.665  -2.351   0.458  1.00  0.00           C  
HETATM    6  C   UNL     1       2.152  -2.134   0.574  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.110  -2.805  -0.346  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.622  -2.924  -0.013  1.00  0.00           C  
HETATM    9  C   UNL     1       1.537  -2.161  -0.827  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.924  -1.121  -0.123  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.386   0.178   0.014  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.481   1.227   0.083  1.00  0.00           C  
HETATM   13  S   UNL     1       1.758   1.575  -0.174  1.00  0.00           S  
HETATM   14  O   UNL     1       0.588   1.643   0.628  1.00  0.00           O  
HETATM   15  O   UNL     1       1.675   1.335  -1.572  1.00  0.00           O  
HETATM   16  N   UNL     1       2.583   0.266   0.416  1.00  0.00           N  
HETATM   17  C   UNL     1       1.896  -0.764   1.209  1.00  0.00           C  
HETATM   18  C   UNL     1       0.395  -0.483   1.237  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.176  -0.561  -0.182  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.666  -0.332  -0.120  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.563  -1.376  -0.191  1.00  0.00           C  
HETATM   22  N   UNL     1       0.102  -1.882  -0.752  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.127   0.969   0.015  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.721   0.423   0.082  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.123   1.787   0.223  1.00  0.00           C  
HETATM   26  H   UNL     1       2.780   5.133   0.001  1.00  0.00           H  
HETATM   27  H   UNL     1       1.871   4.270  -1.263  1.00  0.00           H  
HETATM   28  H   UNL     1       1.216   4.377   0.389  1.00  0.00           H  
HETATM   29  H   UNL     1       3.757   2.894  -0.427  1.00  0.00           H  
HETATM   30  H   UNL     1       3.102   3.001   1.225  1.00  0.00           H  
HETATM   31  H   UNL     1       4.573   0.192   1.092  1.00  0.00           H  
HETATM   32  H   UNL     1       4.355   0.875  -0.539  1.00  0.00           H  
HETATM   33  H   UNL     1       3.790  -1.331  -1.436  1.00  0.00           H  
HETATM   34  H   UNL     1       5.335  -1.447  -0.559  1.00  0.00           H  
HETATM   35  H   UNL     1       3.859  -3.338   0.036  1.00  0.00           H  
HETATM   36  H   UNL     1       4.119  -2.283   1.446  1.00  0.00           H  
HETATM   37  H   UNL     1       1.716  -2.915   1.196  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.278  -3.129  -1.373  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.683  -3.441   0.330  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.473  -2.786   1.058  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.257  -3.907  -0.312  1.00  0.00           H  
HETATM   42  H   UNL     1       2.020  -1.408  -1.449  1.00  0.00           H  
HETATM   43  H   UNL     1       1.688  -3.146  -1.270  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.628  -1.939  -0.176  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.835   2.242   0.187  1.00  0.00           H  
HETATM   46  H   UNL     1       2.284  -0.757   2.228  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.100  -1.221   1.867  1.00  0.00           H  
HETATM   48  H   UNL     1       0.221   0.514   1.641  1.00  0.00           H  
HETATM   49  H   UNL     1       0.285   0.209  -0.802  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.423   1.786   0.068  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.703   2.197   1.142  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.763   2.362  -0.629  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.211   1.842   0.265  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2   13    1   29   30                                       
CONECT    3    4   16   31   32                                       
CONECT    4    5    3   33   34                                       
CONECT    5    6    4   35   36                                       
CONECT    6    9    5   17   37                                       
CONECT    7    8   21   38   39                                       
CONECT    8    7   22   40   41                                       
CONECT    9   22    6   42   43                                       
CONECT   10   21   11   11   44                                       
CONECT   11   10   10   24   12                                       
CONECT   12   11   23   23   45                                       
CONECT   13   16   14   14   15                                       
CONECT   13   15    2                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17    3   13                                            
CONECT   17   18    6   16   46                                       
CONECT   18   19   17   47   48                                       
CONECT   19   22   20   18   49                                       
CONECT   20   21   21   19   23                                       
CONECT   21    7   10   20   20                                       
CONECT   22    8   19    9                                            
CONECT   23   20   12   12   50                                       
CONECT   24   25   11                                                 
CONECT   25   24   51   52   53                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
