COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.410   1.117   1.347  1.00  0.00           C  
HETATM    2  C   UNL     1       1.381  -3.031   0.547  1.00  0.00           C  
HETATM    3  C   UNL     1       1.385  -1.778   1.139  1.00  0.00           C  
HETATM    4  C   UNL     1       1.002  -0.668   0.410  1.00  0.00           C  
HETATM    5  C   UNL     1       0.991  -3.168  -0.782  1.00  0.00           C  
HETATM    6  C   UNL     1       0.608  -2.051  -1.507  1.00  0.00           C  
HETATM    7  C   UNL     1       0.614  -0.804  -0.910  1.00  0.00           C  
HETATM    8  C   UNL     1       2.151  -3.908   2.619  1.00  0.00           C  
HETATM    9  C   UNL     1       1.007   0.694   1.056  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.973  -1.266   0.540  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.048  -5.899  -2.952  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.181  -0.776   1.561  1.00  0.00           C  
HETATM   13  C   UNL     1       7.009   3.617  -1.782  1.00  0.00           C  
HETATM   14  N   UNL     1       7.726   2.901  -0.928  1.00  0.00           N  
HETATM   15  C   UNL     1       7.184   2.096  -0.043  1.00  0.00           C  
HETATM   16  C   UNL     1       5.788   1.969   0.025  1.00  0.00           C  
HETATM   17  C   UNL     1       4.994   2.724  -0.878  1.00  0.00           C  
HETATM   18  C   UNL     1       5.648   3.569  -1.795  1.00  0.00           C  
HETATM   19  C   UNL     1       5.164   1.121   0.954  1.00  0.00           C  
HETATM   20  C   UNL     1       3.808   1.031   0.981  1.00  0.00           C  
HETATM   21  C   UNL     1       3.017   1.773   0.094  1.00  0.00           C  
HETATM   22  C   UNL     1       3.598   2.619  -0.828  1.00  0.00           C  
HETATM   23  N   UNL     1       1.629   1.662   0.149  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.980   1.882   0.599  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.046   0.640   2.435  1.00  0.00           N  
HETATM   26  O   UNL     1       0.986  -4.395  -1.368  1.00  0.00           O  
HETATM   27  O   UNL     1       1.764  -4.123   1.261  1.00  0.00           O  
HETATM   28  C   UNL     1       2.545  -5.242   3.256  1.00  0.00           C  
HETATM   29  C   UNL     1       0.460  -4.479  -2.694  1.00  0.00           C  
HETATM   30  C   UNL     1       1.559  -4.139  -3.702  1.00  0.00           C  
HETATM   31  S   UNL     1      -2.603   1.104   2.755  1.00  0.00           S  
HETATM   32  O   UNL     1      -2.994   0.412   3.933  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.631   2.520   2.640  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.612   0.479   1.453  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.194  -0.502  -0.591  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.624   0.753  -0.699  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.833   1.243   0.323  1.00  0.00           C  
HETATM   38  S   UNL     1      -4.906   1.727  -2.140  1.00  0.00           S  
HETATM   39  O   UNL     1      -3.820   2.639  -2.226  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.241   0.818  -3.180  1.00  0.00           O  
HETATM   41  N   UNL     1      -6.261   2.637  -1.860  1.00  0.00           N  
HETATM   42  H   UNL     1       1.687  -1.670   2.170  1.00  0.00           H  
HETATM   43  H   UNL     1       0.305  -2.155  -2.538  1.00  0.00           H  
HETATM   44  H   UNL     1       0.315   0.066  -1.476  1.00  0.00           H  
HETATM   45  H   UNL     1       3.001  -3.225   2.651  1.00  0.00           H  
HETATM   46  H   UNL     1       1.317  -3.474   3.171  1.00  0.00           H  
HETATM   47  H   UNL     1       1.572   0.652   1.987  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.414  -2.248   0.622  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.832  -6.141  -2.234  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.450  -5.963  -3.963  1.00  0.00           H  
HETATM   51  H   UNL     1       0.775  -6.605  -2.843  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.008  -1.373   2.444  1.00  0.00           H  
HETATM   53  H   UNL     1       7.518   4.260  -2.485  1.00  0.00           H  
HETATM   54  H   UNL     1       7.811   1.533   0.632  1.00  0.00           H  
HETATM   55  H   UNL     1       5.082   4.161  -2.499  1.00  0.00           H  
HETATM   56  H   UNL     1       5.759   0.542   1.645  1.00  0.00           H  
HETATM   57  H   UNL     1       3.332   0.377   1.697  1.00  0.00           H  
HETATM   58  H   UNL     1       2.983   3.188  -1.509  1.00  0.00           H  
HETATM   59  H   UNL     1       1.074   2.226  -0.412  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.591   0.024   3.032  1.00  0.00           H  
HETATM   61  H   UNL     1       1.696  -5.924   3.224  1.00  0.00           H  
HETATM   62  H   UNL     1       3.380  -5.675   2.704  1.00  0.00           H  
HETATM   63  H   UNL     1       2.841  -5.077   4.292  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.364  -3.773  -2.803  1.00  0.00           H  
HETATM   65  H   UNL     1       1.921  -3.128  -3.518  1.00  0.00           H  
HETATM   66  H   UNL     1       2.383  -4.845  -3.592  1.00  0.00           H  
HETATM   67  H   UNL     1       1.158  -4.203  -4.713  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.812  -0.885  -1.389  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.388   2.224   0.238  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.356   3.507  -2.279  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.959   2.300  -1.277  1.00  0.00           H  
CONECT    1   24   24   25    9                                       
CONECT    2   27    3    3    5                                       
CONECT    3    2    2    4   42                                       
CONECT    4    3    9    7    7                                       
CONECT    5    2   26    6    6                                       
CONECT    6    5    5    7   43                                       
CONECT    7    4    4    6   44                                       
CONECT    8   28   27   45   46                                       
CONECT    9    1   23    4   47                                       
CONECT   10   12   12   35   48                                       
CONECT   11   29   49   50   51                                       
CONECT   12   10   10   34   52                                       
CONECT   13   18   14   14   53                                       
CONECT   14   13   13   15                                            
CONECT   15   16   16   14   54                                       
CONECT   16   17   19   15   15                                       
CONECT   17   22   18   18   16                                       
CONECT   18   17   17   13   55                                       
CONECT   19   20   20   16   56                                       
CONECT   20   21   19   19   57                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21   17   58                                       
CONECT   23    9   21   59                                            
CONECT   24    1    1                                                 
CONECT   25   31    1   60                                            
CONECT   26    5   29                                                 
CONECT   27    8    2                                                 
CONECT   28    8   61   62   63                                       
CONECT   29   26   30   11   64                                       
CONECT   30   29   65   66   67                                       
CONECT   31   33   33   34   32                                       
CONECT   31   32   25                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   12   37   37   31                                       
CONECT   35   10   36   36   68                                       
CONECT   36   35   35   37   38                                       
CONECT   37   34   34   36   69                                       
CONECT   38   36   41   40   40                                       
CONECT   38   39   39                                                 
CONECT   39   38   38                                                 
CONECT   40   38   38                                                 
CONECT   41   38   70   71                                            
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
