COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.258  -4.381  -1.131  1.00  0.00           O  
HETATM    2  O   UNL     1       4.665   2.609  -2.172  1.00  0.00           O  
HETATM    3  O   UNL     1       3.330   0.882  -1.827  1.00  0.00           O  
HETATM    4  O   UNL     1       3.833   1.121   2.178  1.00  0.00           O  
HETATM    5  S   UNL     1       2.657   0.593   1.581  1.00  0.00           S  
HETATM    6  N   UNL     1       2.205   1.668   0.406  1.00  0.00           N  
HETATM    7  C   UNL     1       3.199   2.567  -0.186  1.00  0.00           C  
HETATM    8  C   UNL     1       3.736   1.957  -1.455  1.00  0.00           C  
HETATM    9  C   UNL     1       0.875   1.718  -0.022  1.00  0.00           C  
HETATM   10  C   UNL     1       0.478   1.003  -1.130  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.843   1.043  -1.569  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.785   1.798  -0.906  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.107   1.827  -1.359  1.00  0.00           N  
HETATM   14  S   UNL     1      -3.789   0.465  -2.010  1.00  0.00           S  
HETATM   15  O   UNL     1      -2.911   0.029  -3.038  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.756  -0.781  -0.765  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.664  -1.622  -0.658  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.635  -2.600   0.317  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.704  -2.738   1.190  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.679  -3.699   2.151  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.814  -3.783   3.014  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.799  -1.893   1.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.821  -0.914   0.108  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.158   0.771  -2.235  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.410   2.541   0.233  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.067   2.496   0.683  1.00  0.00           C  
HETATM   27  C   UNL     1       0.303   3.233   1.819  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.631   3.974   2.476  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.953   4.013   2.037  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.345   3.321   0.932  1.00  0.00           C  
HETATM   31  C   UNL     1       3.136  -0.896   0.770  1.00  0.00           C  
HETATM   32  C   UNL     1       4.451  -1.079   0.384  1.00  0.00           C  
HETATM   33  C   UNL     1       4.829  -2.246  -0.252  1.00  0.00           C  
HETATM   34  C   UNL     1       3.888  -3.233  -0.504  1.00  0.00           C  
HETATM   35  C   UNL     1       3.236  -5.354  -1.358  1.00  0.00           C  
HETATM   36  C   UNL     1       2.569  -3.047  -0.117  1.00  0.00           C  
HETATM   37  C   UNL     1       2.197  -1.881   0.525  1.00  0.00           C  
HETATM   38  O   UNL     1       1.481   0.287   2.319  1.00  0.00           O  
HETATM   39  H   UNL     1       4.979   2.178  -2.978  1.00  0.00           H  
HETATM   40  H   UNL     1       2.733   3.526  -0.412  1.00  0.00           H  
HETATM   41  H   UNL     1       4.017   2.718   0.519  1.00  0.00           H  
HETATM   42  H   UNL     1       1.200   0.405  -1.666  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.132   0.475  -2.441  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.625   2.644  -1.291  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.831  -1.513  -1.338  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.782  -3.256   0.399  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.665  -4.590   3.733  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.936  -2.840   3.547  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.707  -3.985   2.422  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.633  -1.999   1.760  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.671  -0.253   0.025  1.00  0.00           H  
HETATM   52  H   UNL     1       1.324   3.211   2.171  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.344   4.540   3.350  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.675   4.609   2.576  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.372   3.361   0.603  1.00  0.00           H  
HETATM   56  H   UNL     1       5.183  -0.310   0.581  1.00  0.00           H  
HETATM   57  H   UNL     1       5.857  -2.388  -0.553  1.00  0.00           H  
HETATM   58  H   UNL     1       2.812  -5.665  -0.403  1.00  0.00           H  
HETATM   59  H   UNL     1       2.453  -4.921  -1.980  1.00  0.00           H  
HETATM   60  H   UNL     1       3.664  -6.220  -1.864  1.00  0.00           H  
HETATM   61  H   UNL     1       1.835  -3.814  -0.312  1.00  0.00           H  
HETATM   62  H   UNL     1       1.171  -1.736   0.827  1.00  0.00           H  
CONECT    1   34   35                                                 
CONECT    2    8   39                                                 
CONECT    3    8    8                                                 
CONECT    4    5    5                                                 
CONECT    5    4    4   38   38                                       
CONECT    5   31    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    8    6   40   41                                       
CONECT    8    3    3    7    2                                       
CONECT    9    6   26   26   10                                       
CONECT   10    9   11   11   42                                       
CONECT   11   10   10   12   43                                       
CONECT   12   25   25   11   13                                       
CONECT   13   12   14   44                                            
CONECT   14   13   16   15   15                                       
CONECT   14   24   24                                                 
CONECT   15   14   14                                                 
CONECT   16   17   14   23   23                                       
CONECT   17   18   18   16   45                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   22   22                                       
CONECT   20   21   19                                                 
CONECT   21   20   47   48   49                                       
CONECT   22   19   19   23   50                                       
CONECT   23   16   16   22   51                                       
CONECT   24   14   14                                                 
CONECT   25   26   30   12   12                                       
CONECT   26   27    9    9   25                                       
CONECT   27   28   28   26   52                                       
CONECT   28   27   27   29   53                                       
CONECT   29   28   30   30   54                                       
CONECT   30   29   29   25   55                                       
CONECT   31    5   37   32   32                                       
CONECT   32   31   31   33   56                                       
CONECT   33   34   34   32   57                                       
CONECT   34   36    1   33   33                                       
CONECT   35    1   58   59   60                                       
CONECT   36   37   37   34   61                                       
CONECT   37   36   36   31   62                                       
CONECT   38    5    5                                                 
CONECT   39    2                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
