COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.930  -1.336  -2.070  1.00  0.00           S  
HETATM    2  O   UNL     1       1.964  -1.580  -1.126  1.00  0.00           O  
HETATM    3  O   UNL     1       1.060  -1.622  -3.456  1.00  0.00           O  
HETATM    4  C   UNL     1       0.216  -2.450   2.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.421  -3.814   2.359  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.788  -3.852   1.672  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.655  -3.362   0.252  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.691  -3.627  -0.630  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.623  -3.197  -1.940  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.515  -2.494  -2.378  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.480  -2.230  -1.507  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.541  -2.666  -0.183  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.596  -3.993   3.869  1.00  0.00           C  
HETATM   14  N   UNL     1       0.545  -2.380   0.643  1.00  0.00           N  
HETATM   15  N   UNL     1       0.565   0.276  -1.958  1.00  0.00           N  
HETATM   16  C   UNL     1       0.347   0.888  -0.645  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.872   1.773  -0.700  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.255   2.212  -1.763  1.00  0.00           O  
HETATM   19  C   UNL     1       1.569   1.726  -0.263  1.00  0.00           C  
HETATM   20  C   UNL     1       2.800   0.822  -0.175  1.00  0.00           C  
HETATM   21  C   UNL     1       4.007   1.646   0.275  1.00  0.00           C  
HETATM   22  N   UNL     1       5.186   0.781   0.359  1.00  0.00           N  
HETATM   23  C   UNL     1       6.397   1.304   0.746  1.00  0.00           C  
HETATM   24  N   UNL     1       6.502   2.640   1.054  1.00  0.00           N  
HETATM   25  N   UNL     1       7.446   0.534   0.821  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.536   2.076   0.433  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.800   2.823   0.383  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.869   2.035   1.146  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.368   1.742   2.562  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.099   0.890   2.490  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.013   1.660   1.742  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.228   2.996  -1.052  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.355   2.029  -1.765  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.468   4.224  -1.537  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.057   3.060   3.275  1.00  0.00           C  
HETATM   36  H   UNL     1      -0.487  -1.656   2.322  1.00  0.00           H  
HETATM   37  H   UNL     1       1.125  -2.335   2.659  1.00  0.00           H  
HETATM   38  H   UNL     1       0.212  -4.609   1.965  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.165  -4.875   1.670  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.484  -3.211   2.213  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.558  -4.174  -0.290  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.434  -3.408  -2.622  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.461  -2.155  -3.402  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.074  -4.952   4.069  1.00  0.00           H  
HETATM   45  H   UNL     1       0.380  -3.965   4.353  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.219  -3.188   4.260  1.00  0.00           H  
HETATM   47  H   UNL     1       0.952  -1.487   0.410  1.00  0.00           H  
HETATM   48  H   UNL     1       0.496   0.815  -2.762  1.00  0.00           H  
HETATM   49  H   UNL     1       0.195   0.106   0.099  1.00  0.00           H  
HETATM   50  H   UNL     1       1.734   2.493  -1.020  1.00  0.00           H  
HETATM   51  H   UNL     1       1.396   2.200   0.703  1.00  0.00           H  
HETATM   52  H   UNL     1       2.615   0.025   0.545  1.00  0.00           H  
HETATM   53  H   UNL     1       3.002   0.386  -1.154  1.00  0.00           H  
HETATM   54  H   UNL     1       4.192   2.443  -0.446  1.00  0.00           H  
HETATM   55  H   UNL     1       3.806   2.082   1.253  1.00  0.00           H  
HETATM   56  H   UNL     1       5.112  -0.162   0.142  1.00  0.00           H  
HETATM   57  H   UNL     1       5.721   3.213   0.998  1.00  0.00           H  
HETATM   58  H   UNL     1       7.356   3.009   1.327  1.00  0.00           H  
HETATM   59  H   UNL     1       7.372  -0.409   0.604  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.665   3.801   0.844  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.786   2.622   1.199  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.068   1.096   0.629  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.137   1.203   3.115  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.754   0.661   3.498  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.318  -0.037   1.961  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.141   1.020   1.602  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.731   2.544   2.314  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.740   4.285  -2.463  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.960   3.667   3.327  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.700   2.852   4.284  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.288   3.600   2.721  1.00  0.00           H  
CONECT    1   11   15    2    2                                       
CONECT    1    3    3                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    5   14   36   37                                       
CONECT    5   13    6    4   38                                       
CONECT    6    5    7   39   40                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   11   43                                       
CONECT   11   12   12   10    1                                       
CONECT   12    7   14   11   11                                       
CONECT   13    5   44   45   46                                       
CONECT   14    4   12   47                                            
CONECT   15   16    1   48                                            
CONECT   16   17   15   19   49                                       
CONECT   17   18   18   26   16                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   50   51                                       
CONECT   20   19   21   52   53                                       
CONECT   21   20   22   54   55                                       
CONECT   22   23   21   56                                            
CONECT   23   25   25   24   22                                       
CONECT   24   23   57   58                                            
CONECT   25   23   23   59                                            
CONECT   26   31   17   27                                            
CONECT   27   26   28   32   60                                       
CONECT   28   29   27   61   62                                       
CONECT   29   30   35   28   63                                       
CONECT   30   31   29   64   65                                       
CONECT   31   30   26   66   67                                       
CONECT   32   27   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   68                                                 
CONECT   35   29   69   70   71                                       
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
