COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -14.424   1.810   0.760  1.00  0.00           C  
HETATM    2  O   UNL     1       2.553   2.443  -2.602  1.00  0.00           O  
HETATM    3  O   UNL     1       6.324   2.352   0.624  1.00  0.00           O  
HETATM    4  O   UNL     1       6.262   0.703   2.502  1.00  0.00           O  
HETATM    5  O   UNL     1       0.772   1.176  -2.214  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.886  -2.959  -1.508  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.612  -2.718  -1.030  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.956  -2.231  -1.023  1.00  0.00           C  
HETATM    9  C   UNL     1       3.797  -0.377   1.408  1.00  0.00           C  
HETATM   10  C   UNL     1       2.509  -0.737   1.067  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.471  -1.018   0.421  1.00  0.00           C  
HETATM   12  C   UNL     1       3.861   1.205  -0.392  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.375   0.909   0.105  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.996   1.227   0.686  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.947   0.325   0.031  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.568   0.644   0.611  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.519  -0.258  -0.043  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.139   0.060   0.537  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.091  -0.841  -0.117  1.00  0.00           C  
HETATM   20  C   UNL     1       9.106  -1.316   0.758  1.00  0.00           C  
HETATM   21  C   UNL     1       9.167   0.266  -1.046  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.014  -1.489   0.454  1.00  0.00           C  
HETATM   23  C   UNL     1       7.578  -1.240   0.856  1.00  0.00           C  
HETATM   24  C   UNL     1       7.640   0.423  -1.040  1.00  0.00           C  
HETATM   25  O   UNL     1       9.506  -1.045  -0.587  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.802  -0.544   0.424  1.00  0.00           O  
HETATM   27  O   UNL     1       0.615  -0.487  -0.349  1.00  0.00           O  
HETATM   28  C   UNL     1       1.902   1.494  -1.901  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.404  -1.748  -0.066  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.751  -1.261  -0.053  1.00  0.00           C  
HETATM   31  C   UNL     1       4.470   0.591   0.681  1.00  0.00           C  
HETATM   32  C   UNL     1       1.881  -0.134  -0.013  1.00  0.00           C  
HETATM   33  C   UNL     1       2.561   0.842  -0.755  1.00  0.00           C  
HETATM   34  N   UNL     1       7.140   0.046   0.291  1.00  0.00           N  
HETATM   35  S   UNL     1       6.114   1.040   1.130  1.00  0.00           S  
HETATM   36  H   UNL     1     -15.407   1.584   0.346  1.00  0.00           H  
HETATM   37  H   UNL     1     -14.434   1.635   1.836  1.00  0.00           H  
HETATM   38  H   UNL     1     -14.180   2.854   0.563  1.00  0.00           H  
HETATM   39  H   UNL     1       2.080   2.842  -3.345  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.046  -3.714  -2.263  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.777  -3.289  -1.409  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.951  -2.417  -1.400  1.00  0.00           H  
HETATM   43  H   UNL     1       4.282  -0.849   2.250  1.00  0.00           H  
HETATM   44  H   UNL     1       1.990  -1.490   1.641  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.309  -0.263   1.176  1.00  0.00           H  
HETATM   46  H   UNL     1       4.386   1.965  -0.951  1.00  0.00           H  
HETATM   47  H   UNL     1     -13.620  -0.135   0.302  1.00  0.00           H  
HETATM   48  H   UNL     1     -13.366   1.084  -0.970  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.751   2.271   0.489  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.005   1.052   1.761  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.192  -0.719   0.227  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.938   0.500  -1.045  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.323   1.688   0.415  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.577   0.469   1.687  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.764  -1.302   0.153  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.510  -0.083  -1.119  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.895   1.104   0.341  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.149  -0.115   1.613  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.335  -1.885   0.079  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.082  -0.666  -1.193  1.00  0.00           H  
HETATM   61  H   UNL     1       9.550  -0.578   1.426  1.00  0.00           H  
HETATM   62  H   UNL     1       9.440  -2.313   1.043  1.00  0.00           H  
HETATM   63  H   UNL     1       9.545   0.406  -2.059  1.00  0.00           H  
HETATM   64  H   UNL     1       9.613   1.010  -0.386  1.00  0.00           H  
HETATM   65  H   UNL     1       0.569  -2.409   0.409  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.070  -1.144   1.486  1.00  0.00           H  
HETATM   67  H   UNL     1       7.133  -2.059   0.291  1.00  0.00           H  
HETATM   68  H   UNL     1       7.273  -1.306   1.900  1.00  0.00           H  
HETATM   69  H   UNL     1       7.377   1.460  -1.252  1.00  0.00           H  
HETATM   70  H   UNL     1       7.201  -0.229  -1.795  1.00  0.00           H  
CONECT    1   13   36   37   38                                       
CONECT    2   28   39                                                 
CONECT    3   35   35                                                 
CONECT    4   35   35                                                 
CONECT    5   28   28                                                 
CONECT    6    7    7    8   40                                       
CONECT    7    6    6   29   41                                       
CONECT    8    6   30   30   42                                       
CONECT    9   31   31   10   43                                       
CONECT   10    9   32   32   44                                       
CONECT   11   29   29   30   45                                       
CONECT   12   31   33   33   46                                       
CONECT   13    1   14   47   48                                       
CONECT   14   13   15   49   50                                       
CONECT   15   14   16   51   52                                       
CONECT   16   15   17   53   54                                       
CONECT   17   16   18   55   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   18   26   59   60                                       
CONECT   20   25   23   61   62                                       
CONECT   21   24   25   63   64                                       
CONECT   22   27   29   65   66                                       
CONECT   23   20   34   67   68                                       
CONECT   24   21   34   69   70                                       
CONECT   25   20   21                                                 
CONECT   26   19   30                                                 
CONECT   27   22   32                                                 
CONECT   28    2    5    5   33                                       
CONECT   29    7   11   11   22                                       
CONECT   30    8    8   11   26                                       
CONECT   31    9    9   12   35                                       
CONECT   32   10   10   27   33                                       
CONECT   33   12   12   28   32                                       
CONECT   34   23   24   35                                            
CONECT   35    3    3    4    4                                       
CONECT   35   31   34                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
