COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.364   1.172   0.264  1.00  0.00           O  
HETATM    2  C   UNL     1       0.162   0.687  -0.840  1.00  0.00           C  
HETATM    3  O   UNL     1       0.931  -0.277  -1.402  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.962   1.073  -1.759  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.945   2.121  -1.220  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.321   3.104  -0.244  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.251   2.914   1.051  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.624   4.003   1.624  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.231   4.998   0.753  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.657   4.562  -0.850  1.00  0.00           S  
HETATM   11  C   UNL     1      -1.850  -0.130  -2.062  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.010  -0.062  -1.042  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.267  -0.636  -1.703  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.078  -2.065  -2.234  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.937  -2.167  -3.247  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.818  -3.018  -1.065  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.660  -0.881   0.170  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.695  -0.687   0.894  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.563  -1.875   0.353  1.00  0.00           O  
HETATM   20  N   UNL     1      -3.088   1.369  -0.667  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.173   2.062  -0.115  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.263   3.289  -0.047  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.294   1.313   0.466  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.270   0.969   1.814  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.336   0.258   2.366  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.375   0.953  -0.335  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.440   0.243   0.218  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.421  -0.105   1.568  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.560  -0.864   2.159  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.233  -0.064   3.317  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.086  -2.231   2.745  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.719  -1.217   1.168  1.00  0.00           C  
HETATM   33  H   UNL     1       1.673  -0.542  -0.817  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.475   1.438  -2.672  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.348   2.706  -2.058  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.242  -0.018  -3.082  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.307  -1.082  -2.020  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.476   4.023   2.695  1.00  0.00           H  
HETATM   39  H   UNL     1       0.270   5.930   0.976  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.091  -0.603  -0.982  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.541   0.025  -2.532  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.004  -2.385  -2.728  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.996  -1.801  -2.822  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.152  -1.587  -4.149  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.786  -3.206  -3.558  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.899  -2.752  -0.532  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.719  -4.050  -1.418  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.646  -2.990  -0.348  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.351  -2.423   1.139  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.430   1.245   2.445  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.400   1.218  -1.389  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.313  -0.009   3.419  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.281  -0.035  -0.412  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.096  -0.586   3.747  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.531   0.122   4.137  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.581   0.910   2.953  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.360  -2.090   3.554  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.911  -2.825   3.155  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.599  -2.829   1.966  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.531  -1.774   1.649  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.160  -0.307   0.745  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.350  -1.835   0.341  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   33                                                 
CONECT    4    2   34    5   11                                       
CONECT    5    4   35    6   20                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8                                            
CONECT    8    7   38    9    9                                       
CONECT    9    8    8   39   10                                       
CONECT   10    6    9                                                 
CONECT   11    4   36   37   12                                       
CONECT   12   11   13   17   20                                       
CONECT   13   12   40   41   14                                       
CONECT   14   13   42   15   16                                       
CONECT   15   14   43   44   45                                       
CONECT   16   14   46   47   48                                       
CONECT   17   12   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   49                                                 
CONECT   20    5   12   21                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   26   26   24                                       
CONECT   24   23   25   25   50                                       
CONECT   25   24   24   28   52                                       
CONECT   26   23   23   27   51                                       
CONECT   27   26   28   28   53                                       
CONECT   28   25   27   27   29                                       
CONECT   29   28   30   31   32                                       
CONECT   30   29   54   55   56                                       
CONECT   31   29   57   58   59                                       
CONECT   32   29   62   60   61                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
