COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.720  -1.396  -1.019  1.00  0.00           N  
HETATM    2  C   UNL     1       4.876  -2.234  -0.419  1.00  0.00           C  
HETATM    3  C   UNL     1       5.049  -3.628  -0.503  1.00  0.00           C  
HETATM    4  C   UNL     1       4.169  -4.456   0.123  1.00  0.00           C  
HETATM    5  C   UNL     1       3.094  -3.948   0.849  1.00  0.00           C  
HETATM    6  C   UNL     1       2.895  -2.604   0.952  1.00  0.00           C  
HETATM    7  C   UNL     1       3.782  -1.722   0.322  1.00  0.00           C  
HETATM    8  C   UNL     1       3.617  -0.318   0.403  1.00  0.00           C  
HETATM    9  C   UNL     1       2.493   0.270   1.161  1.00  0.00           C  
HETATM   10  O   UNL     1       2.627   0.532   2.340  1.00  0.00           O  
HETATM   11  O   UNL     1       1.320   0.516   0.546  1.00  0.00           O  
HETATM   12  C   UNL     1       0.261   1.095   1.352  1.00  0.00           C  
HETATM   13  C   UNL     1       0.348   2.621   1.290  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.076   0.646   0.822  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.131  -0.089  -0.141  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.211   1.062   1.418  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.454   0.725   0.869  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.631  -0.506   0.252  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.858  -0.836  -0.289  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.910   0.059  -0.216  1.00  0.00           C  
HETATM   21  S   UNL     1      -7.474  -0.365  -0.908  1.00  0.00           S  
HETATM   22  O   UNL     1      -8.137   0.862  -1.183  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.220  -1.351  -1.900  1.00  0.00           O  
HETATM   24  N   UNL     1      -8.350  -1.113   0.282  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.737   1.286   0.398  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.514   1.619   0.946  1.00  0.00           C  
HETATM   27  C   UNL     1       4.542   0.495  -0.251  1.00  0.00           C  
HETATM   28  C   UNL     1       4.359   1.986  -0.144  1.00  0.00           C  
HETATM   29  C   UNL     1       5.163   2.704  -1.227  1.00  0.00           C  
HETATM   30  C   UNL     1       5.152   4.211  -0.963  1.00  0.00           C  
HETATM   31  C   UNL     1       6.604   2.183  -1.184  1.00  0.00           C  
HETATM   32  C   UNL     1       6.613   0.743  -1.692  1.00  0.00           C  
HETATM   33  C   UNL     1       5.586  -0.085  -0.959  1.00  0.00           C  
HETATM   34  H   UNL     1       5.876  -4.039  -1.062  1.00  0.00           H  
HETATM   35  H   UNL     1       4.306  -5.525   0.055  1.00  0.00           H  
HETATM   36  H   UNL     1       2.411  -4.627   1.336  1.00  0.00           H  
HETATM   37  H   UNL     1       2.058  -2.220   1.517  1.00  0.00           H  
HETATM   38  H   UNL     1       0.371   0.767   2.386  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.447   3.056   1.895  1.00  0.00           H  
HETATM   40  H   UNL     1       1.315   2.946   1.673  1.00  0.00           H  
HETATM   41  H   UNL     1       0.238   2.950   0.256  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.167   1.595   2.228  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.809  -1.205   0.194  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.996  -1.793  -0.770  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.963  -1.238   1.162  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.249  -1.426   0.098  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.561   1.982   0.453  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.380   2.577   1.426  1.00  0.00           H  
HETATM   49  H   UNL     1       3.303   2.228  -0.260  1.00  0.00           H  
HETATM   50  H   UNL     1       4.699   2.320   0.836  1.00  0.00           H  
HETATM   51  H   UNL     1       4.727   2.499  -2.204  1.00  0.00           H  
HETATM   52  H   UNL     1       5.742   4.718  -1.726  1.00  0.00           H  
HETATM   53  H   UNL     1       4.126   4.578  -0.994  1.00  0.00           H  
HETATM   54  H   UNL     1       5.579   4.411   0.020  1.00  0.00           H  
HETATM   55  H   UNL     1       7.236   2.800  -1.823  1.00  0.00           H  
HETATM   56  H   UNL     1       6.974   2.212  -0.159  1.00  0.00           H  
HETATM   57  H   UNL     1       6.384   0.736  -2.758  1.00  0.00           H  
HETATM   58  H   UNL     1       7.601   0.312  -1.535  1.00  0.00           H  
CONECT    1   33    2    2                                            
CONECT    2    1    1    7    3                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5   35                                       
CONECT    5    6    6    4   36                                       
CONECT    6    7    5    5   37                                       
CONECT    7    8    8    2    6                                       
CONECT    8   27    9    7    7                                       
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   14   11   13   38                                       
CONECT   13   12   39   40   41                                       
CONECT   14   15   15   16   12                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   42                                            
CONECT   17   18   18   26   16                                       
CONECT   18   19   17   17   43                                       
CONECT   19   20   20   18   44                                       
CONECT   20   21   19   19   25                                       
CONECT   21   23   23   22   22                                       
CONECT   21   24   20                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   45   46                                            
CONECT   25   20   26   26   47                                       
CONECT   26   25   25   17   48                                       
CONECT   27   28   33   33    8                                       
CONECT   28   29   27   49   50                                       
CONECT   29   30   31   28   51                                       
CONECT   30   29   52   53   54                                       
CONECT   31   29   32   55   56                                       
CONECT   32   31   33   57   58                                       
CONECT   33   32   27   27    1                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
